data_2lci_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lci _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.259 -1.385 . . . . 70.05 107.259 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.47 126.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 123.351 0.66 . . . . 72.14 109.376 -167.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 mt -110.57 106.86 16.28 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.346 -1.353 . . . . 75.21 107.346 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.8 103.74 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.59 -1.263 . . . . 75.3 107.59 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.59 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.01 124.65 34.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.752 -1.203 . . . . 75.52 107.752 -172.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 55' ' ' LEU . 64.7 mt -132.19 121.54 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.33 0.652 . . . . 74.31 109.387 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB3' HD21 ' A' ' 82' ' ' LEU . 23.8 t-20 -109.0 117.3 33.85 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 107.585 -1.265 . . . . 75.43 107.585 170.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.523 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.2 t -124.01 147.56 47.7 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.391 0.677 . . . . 72.21 109.328 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -83.32 -17.15 43.43 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.189 0.595 . . . . 72.33 110.906 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.592 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.7 m120 -109.11 134.6 51.49 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.825 0.45 . . . . 70.54 111.176 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.22 -24.91 64.98 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.094 0.958 . . . . 71.53 110.975 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 22.9 mt-10 -57.32 -48.11 79.82 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.885 0.874 . . . . 75.52 110.016 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.4 mm? -61.41 -37.5 83.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.544 -0.753 . . . . 74.43 111.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.493 HG23 ' HE2' ' A' ' 19' ' ' LYS . 54.8 mt -56.24 -51.68 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 123.665 0.603 . . . . 73.34 110.543 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 63.1 pttt -73.11 -33.87 65.82 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.671 -0.695 . . . . 75.3 111.995 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 50.3 mtpt -66.45 -41.23 89.4 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 110.29 -0.263 . . . . 75.55 110.29 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -39.01 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.012 0.925 . . . . 75.31 110.326 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 61.6 mttm -54.9 -36.09 64.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.945 0.498 . . . . 70.0 111.204 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -79.6 -42.71 24.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.156 0.583 . . . . 75.5 110.659 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.78 -33.4 61.33 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.914 0.886 . . . . 73.44 112.812 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.0 m -107.66 -1.73 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.114 0.566 . . . . 75.53 111.887 -173.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.8 -42.26 97.73 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.162 0.985 . . . . 54.04 110.553 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.44 -2.25 58.28 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.271 -0.877 . . . . 64.12 111.469 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 31.5 mm-40 -102.66 -10.65 19.04 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.262 0.625 . . . . 74.42 111.987 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.77 62.07 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 114.508 0.563 . . . . 62.44 114.508 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -106.25 111.28 23.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.295 0.638 . . . . 75.31 109.453 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.16 107.79 7.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.947 0.899 . . . . 74.24 110.673 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.87 135.54 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.661 0.784 . . . . 73.01 109.945 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 56' ' ' ILE . 17.5 mmm180 -124.5 112.08 16.45 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.08 1.352 . . . . 70.02 107.748 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -94.73 116.98 29.4 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.384 -0.969 . . . . 75.12 108.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG11 HD13 ' A' ' 63' ' ' LEU . 30.0 t -115.55 114.05 45.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 108.309 -0.997 . . . . 71.02 108.309 -176.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.5 14.83 4.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.634 0.774 . . . . 74.42 110.819 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.39 142.54 27.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.267 0.627 . . . . 72.1 109.495 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.4 p -60.9 -36.62 79.73 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.517 1.127 . . . . 63.33 113.564 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.28 -45.29 92.1 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.43 0.456 . . . . 62.44 110.166 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 17.4 mm-40 -60.92 -40.49 93.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.225 0.953 . . . . 71.44 110.416 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.51 HD12 ' HE3' ' A' ' 67' ' ' MET . 1.5 tp -54.62 -58.58 6.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.414 1.086 . . . . 72.21 110.653 172.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.32 -23.12 65.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.998 0.919 . . . . 73.33 112.697 -172.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.08 -60.56 2.32 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.065 0.546 . . . . 73.41 110.451 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 8.3 pt-20 -77.51 -28.77 52.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.545 0.572 . . . . 73.21 112.545 -166.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.479 ' HE2' HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.5 -37.34 77.15 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 120.785 0.326 . . . . 74.34 110.319 -178.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -60.71 -33.11 72.39 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 115.923 -0.581 . . . . 75.21 110.15 172.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.4 -31.91 70.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.031 0.533 . . . . 73.24 110.931 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.51 -27.69 68.65 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 110.311 -0.255 . . . . 74.11 110.311 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 123.227 0.611 . . . . 74.35 111.493 176.763 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--O 1.241 0.647 0 N-CA-C 108.657 -0.868 . . . . 73.31 108.657 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 mm -117.08 147.38 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.535 0.683 . . . . 72.15 109.469 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 7' ' ' ILE . 10.4 tt -127.52 122.72 34.09 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 106.314 -1.735 . . . . 74.24 106.314 174.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.59 ' HB ' HD23 ' A' ' 6' ' ' LEU . 27.4 mm -104.66 111.0 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.933 -0.765 . . . . 74.51 108.933 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.4 mt -94.1 124.21 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.777 -1.194 . . . . 71.52 107.777 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -139.03 116.66 11.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.061 -1.459 . . . . 73.5 107.061 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 15' ' ' ILE . 2.2 m-20 -87.24 -0.99 57.57 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.704 0.802 . . . . 72.4 110.547 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.24 109.52 21.54 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.223 -1.399 . . . . 61.34 107.223 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.79 -25.25 65.5 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.011 0.925 . . . . 72.23 111.941 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 56.5 tp60 -66.34 -44.56 82.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.7 0.4 . . . . 71.14 110.023 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.471 HD13 HG11 ' A' ' 32' ' ' VAL . 81.7 mt -68.31 -30.82 69.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.152 0.581 . . . . 73.31 110.743 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.488 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 9.4 tt -63.88 -46.61 84.12 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.03 0.532 . . . . 75.05 110.045 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 53.0 mtpt -55.09 -54.2 46.19 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.876 0.735 . . . . 75.21 110.103 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.99 -43.88 86.82 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.796 1.31 . . . . 73.2 110.427 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.51 ' HE3' HD12 ' A' ' 38' ' ' LEU . 59.3 tpp -56.08 -52.27 64.88 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.752 1.282 . . . . 73.2 110.436 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.635 HD23 HD13 ' A' ' 71' ' ' ILE . 78.0 mt -67.77 -31.57 71.55 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.187 0.595 . . . . 74.35 112.312 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 23.2 mm-40 -64.75 -48.15 75.6 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.251 -0.648 . . . . 70.44 109.251 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB3' ' SD ' ' A' ' 42' ' ' MET . 20.3 mt -56.43 -44.69 80.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.379 1.072 . . . . 75.1 110.552 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.635 HD13 HD23 ' A' ' 68' ' ' LEU . 86.8 mt -64.85 -40.09 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.724 0.81 . . . . 64.24 110.651 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -65.46 -33.94 77.11 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.802 0.689 . . . . 74.0 111.057 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 60.5 mmtt -70.83 -26.72 63.42 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.348 0.405 . . . . 75.32 110.433 177.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 ' HE2' ' A' ' 42' ' ' MET . 58.6 mt -93.63 -20.77 19.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.162 0.985 . . . . 75.21 111.151 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.9 43.55 97.37 Favored Glycine 0 C--N 1.348 1.235 0 O-C-N 123.723 0.639 . . . . 54.24 114.066 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.55 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.1 m-30 -86.99 146.26 26.2 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 117.161 0.48 . . . . 72.23 110.192 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.53 126.29 30.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.914 -0.402 . . . . 74.42 109.914 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.424 ' CG2' HG22 ' A' ' 71' ' ' ILE . 93.9 t -121.43 138.27 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.87 0.868 . . . . 71.21 110.551 -177.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.36 114.73 22.27 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 106.717 -1.586 . . . . 75.53 106.717 166.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 66.6 tp -104.74 129.5 52.96 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.108 0.963 . . . . 75.15 112.06 -170.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 HD11 HG22 ' A' ' 116' ' ' ILE . 52.6 tp -118.82 112.97 20.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.375 1.07 . . . . 75.55 108.8 172.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 8' ' ' ASN . 94.6 mt -99.6 130.37 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.452 0.701 . . . . 74.33 109.819 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.523 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 51.3 tt0 -131.0 104.33 7.06 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.263 -1.014 . . . . 74.1 108.263 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.562 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 10.3 t70 -137.17 140.9 42.13 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.439 -1.319 . . . . 72.53 107.439 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.61 -42.89 70.36 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.4 0.437 . . . . 75.54 110.547 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.57 114.67 25.43 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.582 -0.896 . . . . 74.51 108.582 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.2 mt-10 -79.5 -6.59 57.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.137 0.791 . . . . 74.34 113.137 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -74.87 -25.74 59.18 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.755 -0.832 . . . . 75.32 108.755 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.78 -56.94 3.43 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.663 0.785 . . . . 74.3 109.522 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.655 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 31.8 tp -52.32 -52.82 50.97 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.88 1.272 . . . . 71.32 112.889 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -70.35 -47.78 59.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.363 0.665 . . . . 65.45 111.277 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 40.3 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.127 0.571 . . . . 73.35 111.534 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.488 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 31.4 t80 -67.32 -40.98 86.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.879 0.872 . . . . 73.44 110.013 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HD2' ' HG3' ' A' ' 106' ' ' LYS . 28.0 tttm -57.13 -54.46 46.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.02 1.328 . . . . 72.33 111.298 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.486 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 11.2 ptm180 -71.17 -22.19 62.07 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.298 0.999 . . . . 74.43 111.73 -167.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 97.0 mttt -61.97 -46.51 88.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.477 0.656 . . . . 75.43 110.383 171.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.8 mt -83.7 -28.03 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.943 1.297 . . . . 74.43 110.741 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 41.5 tt0 -74.82 -33.74 62.23 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 75.43 109.784 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -65.47 -20.49 66.37 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.219 0.608 . . . . 73.43 110.935 174.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -87.83 1.68 53.34 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.002 0.921 . . . . 72.31 111.267 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.72 6.32 83.05 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-O 119.45 -0.639 . . . . 60.23 114.349 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.31 143.71 50.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 117.104 0.452 . . . . 74.34 109.952 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.56 94.82 0.79 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.764 -0.828 . . . . 71.23 108.764 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 HD21 ' A' ' 80' ' ' LEU . 38.5 t -111.17 125.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.104 0.562 . . . . 73.11 109.549 -176.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -119.49 143.58 47.47 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.835 0.854 . . . . 75.11 109.497 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 50.8 mtmt -96.52 153.26 17.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.754 -0.832 . . . . 74.04 108.754 170.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.52 148.28 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.675 0.609 . . . . 74.25 110.203 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 p -129.3 -11.66 4.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.502 1.121 . . . . 71.44 110.18 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 112' ' ' GLU . 19.9 m-20 -89.92 134.79 34.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.751 0.82 . . . . 54.44 109.468 174.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 6.2 p-10 -73.4 -40.98 63.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.628 0.371 . . . . 74.44 111.46 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 39.7 mt-10 -72.83 -41.0 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.365 0.666 . . . . 62.12 109.794 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . 13.7 tp10 -65.35 -38.14 89.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.992 0.807 . . . . 74.32 110.565 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.497 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -52.77 -47.65 67.36 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.633 0.773 . . . . 72.03 110.826 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.472 HD11 ' HE2' ' A' ' 17' ' ' LYS . 67.0 mt -60.59 -34.42 74.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 124.429 1.081 . . . . 73.25 111.265 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 10.7 mmpt? -76.04 -35.33 59.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.262 0.625 . . . . 73.1 110.689 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.466 HG22 HD11 ' A' ' 81' ' ' LEU . 24.2 mm -65.06 -35.72 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.071 0.549 . . . . 73.42 109.691 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 113' ' ' ALA . 44.8 t -62.72 -37.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 115.799 -0.637 . . . . 74.15 109.946 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -65.44 -35.12 79.98 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.091 0.556 . . . . 75.42 111.464 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.98 -53.99 52.13 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.278 -0.638 . . . . 65.32 109.278 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.425 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.4 m-30 -56.4 -44.88 80.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 114.55 -1.205 . . . . 74.21 112.507 -175.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.75 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.2 mtm -69.37 -36.11 76.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.45 0.7 . . . . 74.23 112.457 -178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.41 -35.18 58.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.852 0.461 . . . . 75.25 111.093 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.13 -40.46 52.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.502 0.721 . . . . 73.33 109.991 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.18 76.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.612 0.765 . . . . 74.34 110.313 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.157 0 CA-C-N 115.825 -0.625 . . . . 61.42 112.401 176.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' HZ3' ' HA ' ' A' ' 45' ' ' LEU . 50.6 mtpt . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.391 -0.596 . . . . 71.4 109.391 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -98.46 114.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.936 -1.135 . . . . 64.53 107.936 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 78' ' ' VAL . 52.8 mt -113.88 111.07 21.12 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.73 -0.47 . . . . 63.15 109.73 -169.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 120' ' ' PHE . 31.2 mm -83.76 102.09 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 106.799 -1.556 . . . . 73.54 106.799 171.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.603 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.44 127.04 35.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.769 -1.567 . . . . 73.31 106.769 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.423 HD13 HD22 ' A' ' 55' ' ' LEU . 86.8 mt -133.54 117.75 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.243 -1.021 . . . . 75.13 108.243 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.621 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.4 t30 -106.72 109.46 21.37 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 108.037 -1.097 . . . . 61.03 108.037 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -128.83 130.46 46.97 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.578 -0.897 . . . . 71.33 108.578 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -87.65 -12.29 45.93 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.358 -0.608 . . . . 71.43 109.358 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.61 117.36 29.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.3 1.04 . . . . 71.11 109.874 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.36 -34.29 73.65 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.517 1.127 . . . . 62.44 112.17 -176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -58.12 -49.89 75.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.813 0.845 . . . . 74.21 110.03 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.2 mm? -71.96 -27.34 62.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.822 -0.626 . . . . 75.52 111.808 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.519 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 66.1 mt -58.54 -61.8 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.056 -0.72 . . . . 74.55 109.056 172.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 21.9 ptmt -63.11 -34.64 78.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.954 0.724 . . . . 72.42 112.954 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.69 -52.19 53.44 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.294 0.638 . . . . 73.52 111.237 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 HD11 ' HB1' ' A' ' 113' ' ' ALA . 78.0 mt -61.54 -34.96 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 115.533 -0.758 . . . . 75.01 110.751 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 49.3 mtmt -60.7 -37.33 81.32 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.491 0.316 . . . . 74.41 111.276 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -71.55 -44.09 65.19 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.763 0.425 . . . . 75.14 110.776 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -48.65 -45.2 38.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.588 0.755 . . . . 73.44 112.36 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.596 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 8.1 m -90.36 -18.03 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 115.406 -0.815 . . . . 72.4 112.356 -174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.72 -46.94 85.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.798 0.839 . . . . 75.53 110.546 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.09 -11.51 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.149 -0.932 . . . . 73.24 111.762 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -99.77 5.51 45.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.565 0.746 . . . . 75.44 110.819 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.91 33.07 78.67 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.168 0.827 . . . . 71.31 115.168 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.596 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 24.7 m-85 -94.93 114.02 25.81 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.357 0.663 . . . . 75.24 109.765 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -68.95 107.34 3.07 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.928 -1.033 . . . . 72.53 109.013 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.17 117.27 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.571 -0.741 . . . . 73.11 109.91 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HB2' HD13 ' A' ' 56' ' ' ILE . 25.8 mmm180 -116.69 109.14 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.523 -1.658 . . . . 74.34 106.523 173.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.21 141.96 33.34 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.25 -0.648 . . . . 73.44 109.25 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 63' ' ' LEU . 67.4 t -128.84 115.93 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.121 0.969 . . . . 64.04 108.647 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -118.57 -1.47 11.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.959 0.903 . . . . 74.44 110.357 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.87 149.19 36.56 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.501 0.721 . . . . 71.41 109.751 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -59.95 -34.69 73.6 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.924 0.89 . . . . 75.44 112.791 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.7 t70 -63.94 -44.74 91.93 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.519 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.93 -37.45 79.53 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 124.039 0.837 . . . . 73.44 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 66' ' ' GLU . 8.1 tt -58.55 -51.87 68.04 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.447 -1.251 . . . . 74.45 110.861 174.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.57 -24.57 63.71 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.437 0.695 . . . . 75.54 111.786 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 32.4 mmmt -65.21 -45.87 83.0 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 108.462 -0.94 . . . . 74.41 108.462 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 44.0 mm-40 -72.1 -30.71 65.35 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 115.513 -0.767 . . . . 64.11 112.876 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.474 ' HG3' HD12 ' A' ' 70' ' ' LEU . 35.9 mmt -61.18 -35.99 78.63 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 118.62 0.645 . . . . 62.34 110.687 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -62.12 -51.8 66.46 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.978 -1.01 . . . . 72.21 110.25 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -62.33 -33.61 75.03 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.692 1.197 . . . . 72.25 112.612 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 81.0 mt -67.15 -48.64 67.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.129 0.572 . . . . 71.44 110.422 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.902 0 CA-C-N 115.578 -0.737 . . . . 72.43 111.802 -178.12 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 27' ' ' TYR . 12.9 mptt . . . . . 0 C--O 1.24 0.577 0 N-CA-C 109.034 -0.728 . . . . 73.11 109.034 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.69 115.29 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.372 -0.973 . . . . 70.45 108.372 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 6.5 tt -108.08 121.95 45.87 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.382 -1.34 . . . . 73.42 107.382 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.603 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.0 mm -105.11 111.43 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.55 -0.907 . . . . 75.54 108.55 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.0 mt -88.22 139.13 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.593 -0.891 . . . . 73.41 108.593 169.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 34.9 t -133.14 131.9 41.0 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.599 -1.26 . . . . 74.22 107.599 171.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -86.04 -27.6 24.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.253 0.549 . . . . 74.22 110.19 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.58 130.98 55.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.289 1.036 . . . . 72.2 110.067 -173.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -75.05 -19.72 59.88 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.568 0.747 . . . . 74.14 112.621 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 55.4 tp60 -77.18 -37.35 53.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.139 -0.689 . . . . 73.21 109.139 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD11 HG11 ' A' ' 32' ' ' VAL . 56.4 mt -62.01 -38.81 90.06 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 109.5 -0.555 . . . . 73.42 109.5 171.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 8' ' ' ASN . 3.4 tp -58.96 -43.38 91.29 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.165 -0.47 . . . . 72.13 111.182 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -57.19 -57.5 12.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.865 0.466 . . . . 72.45 110.627 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' A' ' 38' ' ' LEU . 4.7 mm-40 -55.28 -45.14 76.18 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 124.186 0.929 . . . . 65.41 109.808 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.475 ' O ' HG13 ' A' ' 71' ' ' ILE . 37.2 tpp -51.3 -63.91 0.98 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.14 1.376 . . . . 55.41 110.573 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.23 -32.09 72.89 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.468 1.107 . . . . 71.41 112.927 -170.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.81 -34.16 57.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.769 0.428 . . . . 73.42 110.105 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HG3' ' A' ' 42' ' ' MET . 59.1 mt -72.97 -28.76 62.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.125 0.57 . . . . 73.5 110.675 171.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 67' ' ' MET . 84.1 mt -77.89 -24.91 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.102 0.561 . . . . 73.02 110.318 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.9 t -63.14 -43.6 97.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.357 0.663 . . . . 75.11 110.693 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -19.29 59.14 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.356 -0.384 . . . . 73.04 111.336 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 71' ' ' ILE . 76.6 mt -78.52 -28.73 46.27 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.459 0.704 . . . . 74.42 110.669 172.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.83 58.84 7.72 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 123.483 0.563 . . . . 72.24 113.817 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.472 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 21.7 m-85 -107.25 161.23 14.97 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.178 0.591 . . . . 73.33 111.902 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -89.6 96.24 10.61 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.006 -0.997 . . . . 73.12 108.654 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 4' ' ' LEU . 67.1 t -105.37 127.74 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.572 0.749 . . . . 75.44 111.27 -174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.26 113.77 27.53 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 107.163 -1.421 . . . . 72.5 107.163 171.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 6' ' ' LEU . 42.2 tp -104.22 136.43 43.84 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.138 0.575 . . . . 75.33 111.594 -173.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 116' ' ' ILE . 40.7 tp -118.37 113.26 21.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.52 1.128 . . . . 72.13 108.597 170.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD12 HD11 ' A' ' 97' ' ' ILE . 39.5 mt -98.31 119.99 37.94 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.383 0.673 . . . . 74.05 110.698 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -114.84 136.71 52.79 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.217 1.007 . . . . 61.04 108.655 171.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HB2' HD13 ' A' ' 90' ' ' LEU . 3.1 t70 -142.11 178.45 7.54 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.193 -1.04 . . . . 73.33 108.193 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -96.48 -37.31 10.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.609 0.764 . . . . 75.2 109.508 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -109.38 135.02 51.11 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.863 0.865 . . . . 74.33 110.673 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.99 -36.07 69.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.106 0.963 . . . . 74.14 111.822 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.79 -51.8 68.2 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.787 0.68 . . . . 54.41 110.913 -173.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.83 -32.49 52.21 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.808 0.693 . . . . 72.4 110.982 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 84' ' ' ASP . 26.1 tp -56.47 -48.12 77.77 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.568 0.747 . . . . 72.14 110.414 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 13.4 tp10 -67.98 -51.91 41.96 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.151 0.98 . . . . 73.42 110.471 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -47.51 -45.3 26.39 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.976 1.71 . . . . 75.3 111.151 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.74 -35.67 44.36 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.888 -1.505 . . . . 75.21 112.026 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.37 -40.41 97.18 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.06 0.944 . . . . 74.12 111.04 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 74.2 mtp180 -60.26 -34.36 73.6 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.239 1.016 . . . . 73.21 111.494 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.63 -47.77 74.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.086 0.955 . . . . 75.22 110.814 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.479 HD11 HD12 ' A' ' 82' ' ' LEU . 49.5 mt -76.58 -30.77 19.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 114.868 -1.06 . . . . 74.2 111.007 -174.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.43 -35.26 80.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.61 -0.723 . . . . 75.42 109.962 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -71.69 -20.89 61.86 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.588 0.755 . . . . 73.33 111.118 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.91 -6.28 50.12 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.395 0.678 . . . . 75.21 111.23 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.27 5.05 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.919 0.295 . . . . 71.21 112.402 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -119.58 141.26 49.42 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.465 0.706 . . . . 75.42 109.388 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.65 91.26 1.86 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.733 -1.21 . . . . 74.44 107.733 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.85 123.54 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.313 -0.625 . . . . 75.44 109.313 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -117.5 148.98 41.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 73.33 108.866 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HE3' ' HG ' ' A' ' 90' ' ' LEU . 51.6 mtpt -97.0 157.34 15.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.701 0.8 . . . . 72.53 110.105 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -159.79 144.68 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.618 0.767 . . . . 74.12 110.358 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.5 p -137.56 -12.09 1.57 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.684 0.794 . . . . 74.44 110.89 166.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -93.42 144.29 25.48 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.302 0.573 . . . . 75.34 112.245 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.56 ' HA ' HD11 ' A' ' 14' ' ' LEU . 19.6 t70 -58.69 -58.07 10.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.178 1.391 . . . . 70.44 113.059 -175.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.99 -36.14 83.44 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.531 0.732 . . . . 74.04 111.344 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.6 tt0 -62.74 -42.85 99.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.541 1.136 . . . . 73.31 110.821 -174.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 18' ' ' ILE . . . -53.79 -44.81 70.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.752 0.821 . . . . 74.44 111.425 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 25.3 mt -62.1 -46.96 86.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.275 0.984 . . . . 73.21 109.74 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 99.5 mttt -61.17 -43.19 99.28 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.382 1.073 . . . . 74.5 112.602 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 112' ' ' GLU . 16.5 mm -65.33 -40.11 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 121.28 0.562 . . . . 73.01 109.823 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.5 t -65.98 -36.1 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 114.999 -1.001 . . . . 72.32 110.808 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 96.8 mtt180 -60.34 -36.66 78.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.254 0.621 . . . . 74.31 110.817 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.734 ' HB3' ' HZ1' ' A' ' 123' ' ' LYS . 31.4 mt-10 -67.06 -47.02 72.57 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 115.877 -0.601 . . . . 73.43 110.928 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.503 ' HB3' HD13 ' A' ' 5' ' ' ILE . 14.4 m-30 -60.21 -41.62 93.39 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.52 0.728 . . . . 74.34 111.962 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.549 ' SD ' HG12 ' A' ' 22' ' ' VAL . 79.4 mtm -65.03 -38.72 91.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.59 0.756 . . . . 73.53 111.246 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -66.18 -39.23 89.56 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.635 0.774 . . . . 74.44 111.533 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.734 ' HZ1' ' HB3' ' A' ' 119' ' ' GLU . 60.8 mttp -75.15 -46.33 35.0 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.706 0.803 . . . . 73.21 111.245 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.14 91.91 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.52 1.128 . . . . 74.14 112.42 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.182 0 O-C-N 123.983 0.802 . . . . 72.02 114.05 -177.417 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.832 0.825 . . . . 63.34 109.654 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 mt -106.24 141.32 21.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 124.756 1.223 . . . . 75.11 108.099 171.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 47.7 mt -109.47 107.29 17.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.019 -1.104 . . . . 75.13 108.019 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.1 mm -83.37 106.15 13.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.836 -1.542 . . . . 75.41 106.836 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.582 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.29 124.15 36.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.955 -1.498 . . . . 74.51 106.955 -176.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.67 120.59 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 108.636 -0.875 . . . . 73.43 108.636 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.1 t30 -120.14 112.8 19.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 107.453 -1.314 . . . . 74.11 107.453 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -118.63 146.64 44.49 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.486 0.714 . . . . 63.44 109.987 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -84.53 -29.71 25.72 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.984 0.914 . . . . 75.0 109.024 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.02 120.12 39.73 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.739 0.816 . . . . 72.45 110.768 -175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.14 -40.28 89.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.674 1.361 . . . . 74.45 114.674 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.88 -25.79 67.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.315 0.246 . . . . 73.14 111.279 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HG ' ' OE1' ' A' ' 83' ' ' GLN . 4.1 mm? -66.28 -32.96 74.69 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 122.769 0.428 . . . . 74.55 111.586 178.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.0 mt -57.8 -61.57 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 109.365 -0.606 . . . . 74.51 109.365 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.68 -31.49 71.63 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.922 0.764 . . . . 72.24 112.343 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.63 -51.46 19.49 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.169 0.588 . . . . 74.44 111.712 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.68 -31.92 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.766 0.826 . . . . 74.11 111.127 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HD2' HG11 ' A' ' 29' ' ' VAL . 28.6 mmmt -44.83 -49.65 10.7 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.718 1.207 . . . . 74.43 111.006 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.19 -40.82 19.18 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.289 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -47.25 -39.7 14.9 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 123.653 0.781 . . . . 74.13 112.227 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG23 HD12 ' A' ' 55' ' ' LEU . 6.9 m -102.65 -22.61 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.422 -0.808 . . . . 74.25 112.819 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.67 -47.97 80.81 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.481 0.712 . . . . 75.12 110.598 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -71.46 -16.32 62.36 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.919 -1.037 . . . . 71.31 111.985 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.49 4.23 51.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.535 0.734 . . . . 75.42 111.906 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.27 67.03 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.607 -0.269 . . . . 73.05 113.679 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.9 110.72 23.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.226 -1.027 . . . . 75.44 108.226 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.13 106.25 1.93 Allowed 'General case' 0 C--N 1.35 0.615 0 O-C-N 123.767 0.667 . . . . 64.53 109.551 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.572 HG11 ' HD2' ' A' ' 19' ' ' LYS . 2.4 t -78.53 125.45 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 121.16 0.505 . . . . 71.32 109.926 -173.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HB2' HD13 ' A' ' 56' ' ' ILE . 21.0 mmm180 -126.41 152.83 45.82 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 125.853 1.661 . . . . 74.33 107.421 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.83 143.07 40.81 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.367 -0.605 . . . . 72.14 109.367 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.84 118.19 48.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 124.337 1.055 . . . . 61.41 108.581 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -127.8 21.02 6.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.695 0.798 . . . . 73.44 109.807 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -150.75 139.76 21.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.811 0.844 . . . . 73.31 110.174 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -68.37 -36.85 79.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.895 0.878 . . . . 74.35 113.249 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.95 -34.22 77.48 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.686 0.394 . . . . 73.31 110.298 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mm-40 -65.02 -46.82 79.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.396 -0.82 . . . . 74.41 110.559 172.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.84 -44.05 69.99 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.458 1.103 . . . . 75.14 111.805 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -64.33 -39.97 94.95 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.135 -0.939 . . . . 74.24 110.688 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 10.4 mtmp? -76.11 -22.83 55.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.302 0.641 . . . . 74.33 112.218 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 14.7 mm-40 -61.04 -53.33 58.45 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.786 -0.82 . . . . 73.11 108.786 168.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.481 ' HG3' HD12 ' A' ' 70' ' ' LEU . 24.4 mmt -61.08 -25.06 66.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.886 -1.052 . . . . 71.11 112.735 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -59.0 -55.86 29.71 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 123.751 0.657 . . . . 72.53 109.438 170.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -73.92 -32.53 63.58 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.888 0.875 . . . . 75.32 111.871 -172.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.5 mt -66.29 -29.82 70.11 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.692 0.797 . . . . 72.44 110.565 177.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.061 0 C-N-CA 123.517 0.727 . . . . 65.1 111.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.709 0 CA-C-O 121.149 0.5 . . . . 75.35 111.164 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 20.0 mm -111.52 148.06 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 108.468 -0.938 . . . . 74.01 108.468 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD12 HG23 ' A' ' 22' ' ' VAL . 9.5 tt -118.65 125.57 50.03 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 107.758 -1.201 . . . . 74.25 107.758 174.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.582 ' HB ' HD22 ' A' ' 6' ' ' LEU . 26.0 mm -110.98 114.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 109.39 -0.596 . . . . 72.34 109.39 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.93 124.99 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.435 -0.95 . . . . 71.33 108.435 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 45.3 t -124.95 146.31 49.43 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.874 -1.158 . . . . 64.02 107.874 172.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -109.26 -0.23 19.28 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.909 0.483 . . . . 75.1 110.827 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.96 133.39 53.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.613 0.765 . . . . 50.11 109.873 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -73.91 -26.84 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.782 0.833 . . . . 71.15 112.389 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -73.2 -39.75 65.3 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 110.038 -0.356 . . . . 74.55 110.038 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.0 -43.74 98.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.105 0.562 . . . . 65.25 109.669 171.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -58.77 -45.07 90.63 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.402 -0.817 . . . . 64.23 111.219 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -59.06 -59.29 5.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 74.44 110.959 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.042 0.839 . . . . 73.34 111.103 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.477 ' O ' HG13 ' A' ' 71' ' ' ILE . 35.4 tpp -53.08 -63.62 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.551 1.157 . . . . 75.42 110.275 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD22 HG11 ' A' ' 78' ' ' VAL . 59.8 mt -64.7 -34.2 77.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.595 0.758 . . . . 75.53 112.538 -171.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.48 -37.67 80.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.28 0.632 . . . . 73.41 111.102 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HG3' ' A' ' 42' ' ' MET . 84.9 mt -71.61 -35.26 70.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.938 0.495 . . . . 64.21 110.999 175.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 67' ' ' MET . 77.7 mt -65.56 -34.38 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.421 0.689 . . . . 72.41 110.209 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.1 m -65.06 -32.02 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.688 -0.687 . . . . 60.03 110.783 174.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -78.62 -26.02 45.23 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.338 0.655 . . . . 71.02 110.784 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 46' ' ' ALA . 88.0 mt -79.02 -24.4 43.69 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 70.5 110.552 175.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.05 37.02 13.34 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 116.055 -0.521 . . . . 63.04 113.077 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -113.6 159.69 19.35 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.19 0.596 . . . . 73.2 110.204 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -102.61 136.59 42.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.532 -0.914 . . . . 73.11 108.532 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG11 HD22 ' A' ' 68' ' ' LEU . 52.5 t -109.7 140.79 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.484 1.114 . . . . 74.11 110.71 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.29 115.08 28.72 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.537 -1.653 . . . . 73.03 106.537 165.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 6' ' ' LEU . 47.2 tp -109.68 124.45 51.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.131 0.572 . . . . 74.2 110.588 -170.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -108.33 113.36 26.38 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.649 -0.871 . . . . 73.45 108.649 170.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.61 114.0 27.65 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.554 -0.906 . . . . 74.33 108.554 172.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG3' HG12 ' A' ' 107' ' ' VAL . 48.7 tt0 -110.02 117.62 34.25 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.775 -0.824 . . . . 71.1 108.775 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -138.66 168.44 19.78 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.414 -0.587 . . . . 74.13 109.414 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -90.86 -13.17 34.22 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.361 0.664 . . . . 71.03 111.526 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.63 121.1 37.59 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.689 0.796 . . . . 64.25 109.123 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.03 -23.33 44.39 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.967 0.907 . . . . 63.12 113.374 -176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -71.29 -49.27 44.6 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.537 0.608 . . . . 73.32 109.962 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.74 -33.66 75.31 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.876 -0.602 . . . . 64.01 109.977 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.59 -44.67 95.74 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.429 -1.26 . . . . 73.34 110.997 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.593 ' HB2' ' HZ1' ' A' ' 106' ' ' LYS . 14.5 tp10 -68.4 -49.69 58.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.885 0.874 . . . . 51.44 111.079 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 47.5 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.574 0.75 . . . . 72.22 112.104 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.42 -35.79 73.62 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.328 0.392 . . . . 73.52 110.527 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.99 -52.9 63.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.409 0.684 . . . . 70.24 111.603 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -66.09 -22.7 66.42 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.86 0.725 . . . . 74.11 112.513 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.3 mttm -63.33 -44.94 93.45 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.831 0.824 . . . . 70.34 110.703 171.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 60.8 mt -83.65 -26.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 114.422 -1.263 . . . . 74.21 111.289 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.64 -24.18 67.5 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.11 1.364 . . . . 72.21 110.87 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -67.32 -19.18 65.42 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.51 1.124 . . . . 64.21 112.365 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.99 1.17 45.0 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.548 0.739 . . . . 73.13 112.276 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.83 31.79 55.1 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-O 121.18 0.322 . . . . 71.11 112.922 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -109.26 129.24 55.51 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.627 0.771 . . . . 74.33 108.929 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.17 97.07 0.5 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 109.557 -0.534 . . . . 65.33 109.557 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 80' ' ' LEU . 21.5 t -100.1 135.92 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.474 -0.935 . . . . 73.25 108.474 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.3 tpt180 -118.95 151.49 38.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.209 0.604 . . . . 74.25 110.707 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.593 ' HZ1' ' HB2' ' A' ' 91' ' ' GLU . 56.4 mtpt -97.35 140.88 31.15 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.15 0.98 . . . . 73.14 108.843 168.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.42 HG12 ' HG3' ' A' ' 83' ' ' GLN . 14.0 p -156.27 142.56 10.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 O-C-N 123.498 0.499 . . . . 74.43 110.04 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.9 p -122.73 -29.36 4.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.663 1.185 . . . . 74.52 109.88 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.15 129.08 34.08 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 74.41 109.258 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -67.74 -43.16 80.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.587 0.755 . . . . 74.1 111.016 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.32 -38.24 87.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.956 -0.565 . . . . 64.23 110.55 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.1 tp10 -68.66 -37.94 80.04 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.523 -0.762 . . . . 73.22 109.838 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -54.84 -45.98 74.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.854 0.862 . . . . 64.42 112.11 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.73 -45.33 77.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.992 0.917 . . . . 73.21 110.833 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.71 -43.99 97.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.603 -1.181 . . . . 65.44 111.165 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 105' ' ' ARG . 33.4 mm -66.51 -37.24 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.902 0.481 . . . . 74.52 111.024 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 113' ' ' ALA . 81.5 t -58.3 -44.14 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.125 0.57 . . . . 71.41 110.389 175.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.51 -24.92 64.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.831 -1.077 . . . . 73.54 111.245 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.61 -48.51 54.72 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.494 0.318 . . . . 73.45 110.168 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -57.05 -39.1 74.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.751 0.82 . . . . 64.13 112.4 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.411 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -67.02 -41.28 86.91 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.909 0.755 . . . . 75.13 111.322 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.13 -41.36 97.24 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.203 0.601 . . . . 73.2 110.856 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.82 -39.57 56.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.09 0.956 . . . . 72.44 111.024 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.34 -38.78 43.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.853 0.861 . . . . 73.3 111.945 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.456 0 O-C-N 124.488 1.118 . . . . 71.01 115.178 -175.392 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.858 0.361 . . . . 64.0 110.394 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.89 128.84 75.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 123.974 0.91 . . . . 73.53 108.637 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 68.2 mt -116.9 136.84 52.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.207 -1.034 . . . . 63.32 108.207 174.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HB ' HD11 ' A' ' 55' ' ' LEU . 21.9 mm -104.97 110.92 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.562 -1.273 . . . . 74.4 107.562 173.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.659 HD22 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -94.33 127.39 40.17 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.309 -1.367 . . . . 74.21 107.309 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -131.19 118.91 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.402 -0.592 . . . . 72.23 109.402 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.438 ' HB3' HD23 ' A' ' 82' ' ' LEU . 21.4 t-20 -111.18 118.5 36.13 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.749 -1.204 . . . . 72.12 107.749 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -125.66 145.8 50.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.557 -0.905 . . . . 74.34 108.557 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.62 -28.35 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.385 0.428 . . . . 72.25 110.399 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.447 ' HB3' HD23 ' A' ' 14' ' ' LEU . 38.4 t-20 -102.7 135.87 43.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.856 0.863 . . . . 70.34 110.799 -166.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.04 -30.33 71.3 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.147 0.979 . . . . 74.3 111.883 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.95 -51.09 70.55 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.759 0.662 . . . . 71.41 109.979 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 110' ' ' ASP . 4.0 mm? -64.78 -35.61 81.65 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.474 -0.785 . . . . 73.01 111.264 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.4 mt -56.12 -63.44 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 109.593 -0.521 . . . . 75.54 109.593 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -65.05 -31.31 72.47 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.451 0.7 . . . . 72.42 112.881 -172.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -69.77 -49.21 55.16 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.921 0.489 . . . . 74.04 110.91 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.78 -33.98 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.344 0.658 . . . . 72.34 110.764 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.9 mtpt -58.36 -38.48 77.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.184 0.593 . . . . 72.34 110.823 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.16 -42.5 55.89 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.895 0.478 . . . . 73.42 110.852 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -50.2 -37.38 34.94 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.973 0.909 . . . . 75.11 112.474 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 29' ' ' VAL . 10.3 m -102.35 -17.93 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.116 0.566 . . . . 73.01 112.345 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.8 -50.23 74.62 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.061 0.945 . . . . 73.11 109.97 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.95 6.42 13.38 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.699 -1.137 . . . . 74.43 111.81 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -113.81 13.18 18.41 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.198 0.999 . . . . 73.24 111.67 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.22 72.72 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.636 0.615 . . . . 72.13 114.636 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -98.34 115.6 28.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.382 -0.97 . . . . 74.51 108.382 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.98 103.77 0.63 Allowed 'General case' 0 C--O 1.243 0.755 0 O-C-N 123.987 0.804 . . . . 64.34 109.474 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 22' ' ' VAL . 3.0 t -76.89 119.21 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.286 -0.87 . . . . 64.5 110.396 -170.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.53 144.44 51.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.815 1.246 . . . . 74.34 108.14 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -141.95 138.17 31.76 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.877 -0.786 . . . . 65.14 108.877 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 HD11 ' A' ' 63' ' ' LEU . 53.2 t -98.73 115.89 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 114.792 -1.095 . . . . 62.02 108.762 -173.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.34 -38.59 30.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.207 0.603 . . . . 74.24 111.594 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.31 165.03 29.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.857 0.863 . . . . 70.22 110.902 -163.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 38.0 t -53.41 -40.03 64.77 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.547 1.139 . . . . 74.22 112.697 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 23.5 m-20 -66.84 -40.07 87.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.172 -0.442 . . . . 74.35 110.83 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -58.94 -39.63 82.19 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.309 0.644 . . . . 73.14 110.083 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.7 tp -56.15 -61.3 2.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.234 1.014 . . . . 72.45 110.209 174.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.33 -28.32 69.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.174 -0.921 . . . . 71.01 111.697 -171.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 74.3 mmtt -70.39 -53.24 17.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.248 0.619 . . . . 74.34 110.424 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.57 -31.18 63.48 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.994 0.738 . . . . 65.44 112.994 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.614 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 89.1 mmm -66.73 -30.04 70.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.614 0.366 . . . . 72.31 111.463 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -63.65 -41.73 98.19 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.228 0.611 . . . . 71.1 110.741 171.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -34.79 78.67 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.654 0.596 . . . . 74.43 110.782 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.56 -40.77 84.93 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.587 -0.733 . . . . 75.31 110.213 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.084 0 C-N-CA 123.296 0.638 . . . . 72.3 112.546 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.237 0.43 0 N-CA-C 109.302 -0.629 . . . . 75.24 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.17 113.63 40.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 75.11 107.133 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 22' ' ' VAL . 5.0 tt -91.21 127.6 36.71 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.086 -1.079 . . . . 73.53 108.086 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.682 HG23 ' SD ' ' A' ' 67' ' ' MET . 21.9 mm -111.22 133.07 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.345 -0.613 . . . . 74.32 109.345 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.24 123.7 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.904 -1.147 . . . . 71.44 107.904 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.0 t -121.31 116.46 24.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.511 -1.292 . . . . 72.51 107.511 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -77.3 -19.22 56.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.14 0.976 . . . . 74.44 110.886 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.43 140.39 36.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.712 1.205 . . . . 75.14 109.408 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.08 -35.62 69.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.431 0.692 . . . . 73.02 112.317 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 57.4 tp60 -75.42 -40.61 57.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.505 0.322 . . . . 73.44 110.479 -173.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD11 HG13 ' A' ' 32' ' ' VAL . 96.7 mt -60.78 -36.9 80.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.073 0.549 . . . . 75.22 110.474 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 HD11 HD11 ' A' ' 80' ' ' LEU . 7.7 tt -61.1 -49.21 78.22 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.204 0.94 . . . . 73.11 110.562 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -55.66 -57.39 12.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.969 0.793 . . . . 73.44 110.803 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 21.1 mm-40 -52.96 -47.2 68.33 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.661 1.225 . . . . 74.15 110.682 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.682 ' SD ' HG23 ' A' ' 56' ' ' ILE . 31.6 ttm -57.23 -53.9 52.89 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.63 1.206 . . . . 65.5 111.515 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 71' ' ' ILE . 97.1 mt -67.07 -28.5 68.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.124 0.57 . . . . 65.54 112.19 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.81 -32.03 61.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.173 0.589 . . . . 75.51 111.118 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.98 -37.67 72.73 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.162 0.585 . . . . 75.54 110.042 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.582 HD11 HD23 ' A' ' 68' ' ' LEU . 85.8 mt -70.31 -30.28 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.769 0.828 . . . . 73.32 110.809 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -60.16 -35.76 76.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.181 0.592 . . . . 61.32 110.302 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -71.69 -36.05 70.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.605 0.762 . . . . 74.35 110.983 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.69 -25.62 59.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.704 0.802 . . . . 72.5 111.554 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.89 30.51 59.35 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 115.973 -0.558 . . . . 70.21 114.075 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -90.57 136.15 33.25 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.513 -0.551 . . . . 75.43 109.513 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -79.69 114.07 18.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.235 -1.024 . . . . 75.52 108.235 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.3 t -101.67 140.73 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.992 -0.549 . . . . 74.22 111.386 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -108.6 116.39 31.88 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.734 -1.58 . . . . 74.14 106.734 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 104' ' ' VAL . 60.2 tp -104.59 128.91 52.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.235 0.614 . . . . 71.33 110.446 -173.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 tp -112.7 117.12 31.35 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.032 -0.729 . . . . 62.42 109.032 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.4 mt -104.88 118.36 36.36 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.136 -0.69 . . . . 73.33 109.136 173.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -109.48 112.59 24.79 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.074 -1.454 . . . . 53.21 107.074 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 10.1 m-20 -128.16 174.9 8.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.152 -0.931 . . . . 72.21 109.276 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.945 -0.57 . . . . 73.54 109.897 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.09 127.42 53.18 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.145 -0.687 . . . . 75.52 109.145 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HB3' ' HZ1' ' A' ' 106' ' ' LYS . 43.6 mt-10 -76.98 -24.89 52.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.978 0.733 . . . . 62.4 112.978 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.85 -43.45 71.89 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 110.01 -0.367 . . . . 73.2 110.01 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -79.36 -35.27 41.13 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.279 1.032 . . . . 71.31 109.887 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 16.6 tp -54.15 -50.99 65.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.371 1.068 . . . . 73.24 110.406 171.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.93 -39.58 69.35 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.529 0.732 . . . . 75.24 111.235 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.32 -46.65 72.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.282 1.033 . . . . 75.42 110.823 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -81.27 -35.04 31.62 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.99 0.916 . . . . 75.34 110.969 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -60.42 -52.76 63.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.314 1.046 . . . . 70.22 111.58 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.46 -24.45 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.183 0.993 . . . . 74.32 112.465 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -63.6 -49.56 72.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.926 0.89 . . . . 75.45 109.873 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -82.65 -33.09 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.495 -1.684 . . . . 75.11 110.514 -171.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.5 -36.18 82.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.175 0.99 . . . . 75.31 108.787 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.8 t -70.52 -20.8 62.8 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.345 -0.843 . . . . 74.45 111.431 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -77.41 -4.06 43.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.245 0.618 . . . . 75.21 111.722 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.97 39.7 4.26 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 112.334 -0.306 . . . . 74.52 112.334 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -118.04 135.91 53.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.403 0.681 . . . . 75.12 109.429 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.61 102.71 8.11 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 108.776 -0.824 . . . . 74.41 108.776 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 80' ' ' LEU . 5.6 t -118.16 139.67 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.214 0.606 . . . . 72.32 110.069 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -120.31 156.8 30.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.53 0.732 . . . . 73.34 109.372 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.455 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 52.7 mtpt -94.24 141.87 28.07 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.757 -0.831 . . . . 72.33 108.757 171.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 p -155.16 142.03 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 123.867 0.729 . . . . 73.24 110.807 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.9 p -123.47 -29.83 3.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.21 1.004 . . . . 73.12 109.995 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.01 143.27 32.63 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.556 0.743 . . . . 72.24 109.904 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.549 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.3 p-10 -74.49 -35.21 63.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.586 0.354 . . . . 71.35 111.582 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.66 -49.77 56.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.04 0.536 . . . . 74.3 109.802 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.521 ' O ' HG12 ' A' ' 116' ' ' ILE . 26.4 mm-40 -58.51 -38.98 78.85 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.085 0.865 . . . . 72.24 110.82 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.65 -51.45 63.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.908 0.883 . . . . 43.12 111.178 177.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.02 -35.09 74.33 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.915 0.759 . . . . 73.1 110.961 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.424 ' HG2' ' NH2' ' A' ' 118' ' ' ARG . 96.2 mttt -71.04 -46.22 62.48 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.295 -0.866 . . . . 74.54 111.267 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 112' ' ' GLU . 41.3 mm -70.41 -27.65 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.25 0.62 . . . . 70.54 110.434 -175.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -57.62 -48.7 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.425 -0.583 . . . . 72.13 109.425 168.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.424 ' NH2' ' HG2' ' A' ' 115' ' ' LYS . 82.0 mtm-85 -70.17 -22.17 62.99 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.69 -0.686 . . . . 75.0 111.629 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -70.91 -46.92 61.68 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.218 0.607 . . . . 72.14 109.95 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -66.39 -35.41 80.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.626 0.77 . . . . 74.34 112.012 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.528 ' SD ' HG12 ' A' ' 22' ' ' VAL . 69.1 mtm -73.23 -24.92 60.55 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.666 0.604 . . . . 72.31 110.806 174.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -72.93 -46.74 50.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.467 0.707 . . . . 71.14 110.488 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.06 -36.91 83.07 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.687 -0.688 . . . . 74.31 109.778 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.12 87.43 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.428 -0.805 . . . . 62.11 109.993 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.993 0 O-C-N 124.008 0.817 . . . . 73.31 112.772 -177.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HZ1' HD21 ' A' ' 4' ' ' LEU . 10.1 ptmm? . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 109.031 -0.729 . . . . 73.03 109.031 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.1 130.85 62.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-N 115.806 -0.634 . . . . 73.5 109.913 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.48 ' HB2' HG22 ' A' ' 78' ' ' VAL . 86.5 mt -126.19 118.19 24.68 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.463 1.105 . . . . 72.13 108.711 173.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 120' ' ' PHE . 22.2 mm -93.26 105.19 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.923 -1.14 . . . . 72.32 107.923 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.672 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -91.69 124.07 35.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.445 -1.317 . . . . 73.33 107.445 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 HD23 ' A' ' 55' ' ' LEU . 77.2 mt -126.69 119.11 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.863 -0.791 . . . . 73.51 108.863 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.417 ' HB2' HD13 ' A' ' 64' ' ' LEU . 5.6 t30 -104.68 124.04 48.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.983 -1.488 . . . . 75.34 106.983 170.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.494 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 9.0 t -126.13 142.5 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.674 0.609 . . . . 70.13 109.647 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -80.64 -29.56 36.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.261 0.624 . . . . 74.34 109.637 170.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.515 ' HB2' HD21 ' A' ' 14' ' ' LEU . 64.7 m-20 -99.26 124.53 44.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.69 0.796 . . . . 51.13 111.071 -174.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.76 -19.09 64.71 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.555 1.142 . . . . 62.44 113.107 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.56 -43.99 89.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.08 0.552 . . . . 74.44 110.554 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -65.23 -29.92 70.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.573 -0.285 . . . . 74.41 111.697 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 HD22 ' A' ' 59' ' ' ASN . 56.1 mt -60.48 -60.8 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 N-CA-C 109.542 -0.54 . . . . 74.34 109.542 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.76 -41.74 99.36 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.211 0.605 . . . . 74.44 111.831 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.526 ' HE2' HD13 ' A' ' 114' ' ' LEU . 62.4 mtpt -69.16 -55.11 11.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.402 0.681 . . . . 73.41 111.268 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -57.56 -37.08 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.599 0.76 . . . . 74.43 110.409 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.6 mttm -53.45 -43.25 67.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.893 0.477 . . . . 73.44 111.772 175.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -77.15 -46.45 23.37 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.684 0.794 . . . . 74.52 111.549 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 7.5 mm-40 -50.01 -48.76 52.39 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.54 0.736 . . . . 73.53 111.434 176.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.737 HG11 ' SD ' ' A' ' 121' ' ' MET . 4.2 m -88.86 -12.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.897 -0.592 . . . . 71.42 111.287 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.93 -38.62 91.74 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.087 -0.709 . . . . 71.13 109.087 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -67.57 -25.02 65.58 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.659 -1.155 . . . . 73.43 110.767 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 16.9 mm100 -103.12 3.59 36.06 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.816 0.846 . . . . 72.54 112.486 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.25 75.58 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 115.476 0.95 . . . . 53.32 115.476 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -105.44 125.7 51.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 117.476 0.638 . . . . 74.01 110.168 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -73.32 99.73 2.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.855 0.862 . . . . 71.03 109.6 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 19' ' ' LYS . 22.0 t -82.33 134.16 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.558 0.343 . . . . 73.5 111.131 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -127.62 117.37 21.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.771 -1.566 . . . . 75.22 106.771 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.98 131.96 45.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 109.585 -0.524 . . . . 65.23 109.585 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -129.12 117.3 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.227 1.011 . . . . 74.21 108.941 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.58 22.89 3.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.605 1.162 . . . . 73.41 108.293 169.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -140.36 144.34 36.22 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.408 1.083 . . . . 74.23 109.906 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 45.7 t -58.45 -47.01 85.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.772 0.829 . . . . 72.53 111.693 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.27 -25.96 65.42 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 119.306 -0.378 . . . . 73.43 111.885 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.17 -40.37 74.75 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.118 0.417 . . . . 72.14 110.889 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -56.79 -55.39 34.88 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.693 0.621 . . . . 71.32 110.322 174.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 39.6 mtpt -62.45 -43.09 99.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.34 -1.3 . . . . 73.23 110.905 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.74 98.19 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.058 0.943 . . . . 71.32 110.542 -178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.8 mm-40 -69.37 -30.65 68.7 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.681 0.613 . . . . 73.12 111.703 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.479 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -70.24 -32.73 70.72 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.611 0.365 . . . . 73.25 111.359 176.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.9 mmtp -64.72 -42.27 95.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.008 -0.738 . . . . 74.43 109.008 173.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.65 -42.42 99.59 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 124.221 0.951 . . . . 74.21 111.283 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 92.9 mt -67.02 -31.99 72.91 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.906 0.482 . . . . 75.21 110.912 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.952 0 CA-C-N 115.769 -0.65 . . . . 74.22 111.789 178.559 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.037 -0.727 . . . . 71.24 109.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HB ' HD22 ' A' ' 4' ' ' LEU . 59.4 mt -113.33 142.3 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD11 HG23 ' A' ' 22' ' ' VAL . 9.5 tt -124.33 125.89 45.09 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.05 -1.463 . . . . 74.24 107.05 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.672 ' HB ' HD21 ' A' ' 6' ' ' LEU . 12.0 mm -111.55 122.11 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.612 -0.884 . . . . 74.54 108.612 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.58 140.5 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 108.873 -0.788 . . . . 73.53 108.873 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -141.44 167.3 22.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.552 1.141 . . . . 74.32 107.957 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.573 HD22 HD11 ' A' ' 15' ' ' ILE . 14.3 m120 -118.0 -7.67 10.83 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.427 0.691 . . . . 75.03 110.409 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -116.95 134.97 54.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 73.42 110.502 -167.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -77.29 -25.86 51.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.582 1.153 . . . . 74.51 112.085 -175.132 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.72 -43.1 38.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.461 0.304 . . . . 71.32 110.295 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.11 -34.86 79.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.534 0.734 . . . . 74.14 110.259 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 80' ' ' LEU . 8.6 tt -65.56 -41.46 92.93 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.827 -0.624 . . . . 60.04 110.668 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -58.62 -58.78 7.05 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.619 0.574 . . . . 75.11 110.012 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -52.25 -41.82 63.12 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.865 0.728 . . . . 73.33 111.213 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.543 ' HG2' HD22 ' A' ' 6' ' ' LEU . 37.3 tpp -54.62 -63.02 1.29 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.164 0.986 . . . . 74.21 111.184 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -26.14 64.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.417 0.687 . . . . 65.13 112.581 -171.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.11 -33.74 50.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.7 0.4 . . . . 73.41 110.258 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 42' ' ' MET . 76.6 mt -71.55 -37.3 71.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.349 0.66 . . . . 74.22 110.616 172.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.406 ' HA ' HD11 ' A' ' 74' ' ' LEU . 80.6 mt -72.6 -26.0 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.232 0.613 . . . . 63.14 110.296 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -65.11 -33.68 76.6 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.156 0.582 . . . . 75.12 110.07 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.38 -39.66 71.06 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.581 -0.736 . . . . 73.2 110.755 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 71' ' ' ILE . 71.3 mt -69.47 -36.1 76.24 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.927 0.891 . . . . 72.11 111.528 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.57 42.98 31.32 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.011 -0.54 . . . . 61.54 113.455 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -98.36 140.72 32.21 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.641 0.376 . . . . 75.44 111.251 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -72.43 107.9 5.23 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.529 -0.915 . . . . 72.5 108.529 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 4' ' ' LEU . 98.1 t -106.61 139.92 26.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 123.367 0.667 . . . . 72.34 111.203 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.505 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.4 m-85 -109.52 113.38 26.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.062 -1.458 . . . . 73.34 107.062 166.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 64' ' ' LEU . 57.8 tp -96.71 139.38 32.86 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.119 0.568 . . . . 65.31 111.786 -175.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 22.4 tp -124.87 126.76 46.07 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.418 1.087 . . . . 75.1 108.16 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -113.48 113.41 25.11 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 108.604 -0.888 . . . . 73.22 108.604 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 23.6 tm0? -112.37 102.89 10.99 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.81 -1.181 . . . . 74.02 107.81 174.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -151.52 136.38 17.25 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.237 -1.394 . . . . 70.22 107.237 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.35 -24.27 59.15 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.079 0.4 . . . . 73.31 112.079 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.44 84.33 5.34 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.04 -0.726 . . . . 74.01 109.04 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.657 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 36.2 mt-10 -68.59 -13.93 62.67 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.801 0.667 . . . . 74.14 112.801 -174.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.33 -52.53 32.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.689 0.796 . . . . 52.34 110.001 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.59 -34.38 65.07 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.228 -0.896 . . . . 71.4 110.236 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.657 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 14.9 tp -64.97 -35.82 82.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 74.35 110.584 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.47 -49.79 74.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.003 0.521 . . . . 73.25 110.6 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 30.2 mm-40 -69.34 -40.92 77.26 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.635 -0.711 . . . . 75.55 111.291 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 24.4 t80 -69.82 -34.4 73.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 116.324 -0.398 . . . . 75.22 110.242 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HA ' HG11 ' A' ' 104' ' ' VAL . 19.2 ttpt -58.74 -58.13 9.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.883 0.873 . . . . 72.44 110.665 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.469 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 2.3 ptm180 -67.41 -24.67 65.68 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.229 0.825 . . . . 75.43 113.229 -170.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.4 mptm? -72.86 -37.43 67.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.518 0.327 . . . . 75.32 111.105 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.9 mt -85.34 -23.74 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-O 121.584 0.707 . . . . 72.11 110.289 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 32.0 tt0 -64.75 -33.69 76.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.712 1.205 . . . . 75.53 109.14 171.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.0 t -70.96 -26.38 63.14 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 114.933 -1.031 . . . . 75.02 110.802 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -79.5 -0.82 34.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.632 0.773 . . . . 73.32 111.621 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.84 82.39 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 122.961 0.315 . . . . 74.41 113.298 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.461 ' HB2' HG22 ' A' ' 97' ' ' ILE . 55.8 m-85 -82.61 144.64 30.17 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 122.68 0.392 . . . . 72.54 110.728 176.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -74.2 92.45 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.07 -0.968 . . . . 74.52 109.073 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.436 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.5 t -103.77 119.68 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.414 -0.587 . . . . 74.34 109.414 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -116.97 134.91 54.14 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.663 0.785 . . . . 75.12 109.155 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.487 ' HB2' HD21 ' A' ' 90' ' ' LEU . 17.9 ptmt -97.91 155.93 16.84 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.851 0.86 . . . . 74.22 110.03 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -169.15 158.92 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.611 0.764 . . . . 73.12 109.463 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -128.48 -33.82 2.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.797 0.839 . . . . 73.13 110.584 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.62 144.29 26.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.153 0.581 . . . . 72.11 110.395 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.0 -38.64 66.55 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.574 0.749 . . . . 73.42 111.245 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.72 -41.39 92.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.509 0.724 . . . . 71.13 109.923 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 14.4 tp10 -75.03 -32.85 61.69 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 115.063 -0.971 . . . . 74.32 110.333 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -61.42 -42.7 99.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.001 0.52 . . . . 72.41 111.046 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.526 HD13 ' HE2' ' A' ' 17' ' ' LYS . 80.7 mt -62.27 -35.72 79.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.431 0.692 . . . . 75.34 110.586 176.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 53.0 mtpt -70.73 -27.07 63.69 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.081 -0.963 . . . . 74.21 111.227 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 26.4 mm -78.9 -36.07 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.414 -0.587 . . . . 62.4 109.414 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 113' ' ' ALA . 96.1 t -63.09 -39.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.497 0.719 . . . . 75.52 110.062 176.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.6 ptt180 -62.07 -35.5 78.83 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.361 0.413 . . . . 74.1 109.904 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.479 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 67.3 mm-40 -63.68 -47.09 82.64 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.977 0.798 . . . . 65.4 109.919 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 5' ' ' ILE . 25.6 m-85 -59.16 -47.23 86.08 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.102 0.876 . . . . 75.14 111.415 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.737 ' SD ' HG11 ' A' ' 22' ' ' VAL . 77.6 mtm -66.78 -38.49 86.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.746 0.819 . . . . 72.43 112.002 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -68.32 -41.44 80.82 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.212 1.005 . . . . 75.24 111.516 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 46.5 mttp -75.22 -37.16 61.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.404 0.682 . . . . 75.34 110.534 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.75 -34.2 75.19 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.326 0.65 . . . . 54.32 110.063 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.298 0 CA-C-N 114.84 -1.073 . . . . 60.52 112.368 172.335 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HA ' ' HG3' ' A' ' 53' ' ' LYS . 26.7 ttpt . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.536 -0.913 . . . . 72.41 108.536 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' A' ' 77' ' ' LYS . 20.7 mt -94.31 129.01 45.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.276 -0.875 . . . . 72.22 108.937 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.71 110.05 21.98 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.741 -0.837 . . . . 72.12 108.741 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 mm -84.9 106.84 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 107.899 -1.148 . . . . 74.42 107.899 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.655 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.76 138.23 31.72 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.261 -1.385 . . . . 74.45 107.261 -177.517 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 55' ' ' LEU . 79.2 mt -138.7 131.8 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.031 0.532 . . . . 74.21 109.68 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -120.62 114.64 22.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 107.375 -1.343 . . . . 60.43 107.375 168.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -124.96 144.41 50.38 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 75.52 108.892 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.18 -11.26 47.33 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.012 0.434 . . . . 73.53 109.988 173.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.54 129.34 36.02 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.23 1.012 . . . . 72.03 110.284 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.11 -38.39 78.89 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.645 0.591 . . . . 72.55 111.212 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.02 -44.32 94.69 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 74.35 110.638 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.0 -24.95 67.36 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.872 0.693 . . . . 74.11 112.872 -175.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.8 mt -57.95 -58.76 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 O-C-N 123.562 0.539 . . . . 74.34 110.062 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.15 -32.67 63.24 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.043 0.386 . . . . 73.13 112.043 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE3' HD12 ' A' ' 114' ' ' LEU . 30.1 mtpp -60.91 -51.96 67.05 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.223 0.609 . . . . 73.45 109.938 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 HD12 HD12 ' A' ' 7' ' ' ILE . 90.1 mt -64.71 -38.14 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.075 0.859 . . . . 65.2 110.498 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 95.8 mttt -55.85 -43.04 76.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.286 0.366 . . . . 73.51 111.518 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -72.1 -43.55 64.62 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.553 0.533 . . . . 75.44 110.53 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -50.12 -48.32 53.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.194 -0.912 . . . . 71.1 112.464 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.41 -15.04 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.081 0.552 . . . . 74.33 111.596 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.656 0.741 . . . . 72.43 109.482 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.54 -25.12 66.51 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.973 -1.467 . . . . 75.24 111.118 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.96 -2.88 56.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.017 0.927 . . . . 74.11 112.048 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 34.68 72.85 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 115.06 0.784 . . . . 74.21 115.06 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -102.39 125.22 49.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.793 -0.817 . . . . 70.5 108.793 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -82.35 118.69 23.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.34 -0.615 . . . . 72.11 109.34 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' A' ' 19' ' ' LYS . 26.3 t -88.54 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.909 0.483 . . . . 74.34 110.349 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -125.86 137.63 53.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 106.615 -1.624 . . . . 74.54 106.615 167.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -121.95 126.41 48.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 107.823 -1.177 . . . . 73.15 107.823 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 38' ' ' LEU . 96.7 t -105.19 115.32 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 123.809 0.844 . . . . 74.14 109.564 -170.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.04 -17.7 18.99 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.32 0.648 . . . . 73.44 111.606 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.07 154.25 41.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.413 0.285 . . . . 71.2 111.044 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.7 p -55.56 -47.15 76.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.299 1.039 . . . . 71.52 112.695 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.76 -33.61 75.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.547 0.339 . . . . 75.22 111.134 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.49 -51.34 69.05 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.72 0.638 . . . . 72.12 110.013 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.484 ' HB2' HG12 ' A' ' 32' ' ' VAL . 9.0 tt -49.61 -47.52 49.55 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.547 1.139 . . . . 70.32 110.947 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' SER . 24.6 mtpp -73.09 -25.69 60.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 74.44 111.362 -174.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -70.15 -41.9 73.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.911 0.485 . . . . 74.2 110.308 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 8.9 mm-40 -59.24 -42.32 90.8 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.938 0.774 . . . . 72.23 110.494 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.411 ' HG3' HD11 ' A' ' 70' ' ' LEU . 23.0 mmt -60.2 -36.14 76.98 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.729 0.811 . . . . 72.43 112.353 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -68.81 -38.41 79.9 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.232 -0.895 . . . . 74.52 110.25 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.42 -34.14 74.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.852 0.461 . . . . 74.31 110.639 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.6 mt -65.43 -28.45 69.25 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.609 0.764 . . . . 73.54 111.335 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 123.336 0.655 . . . . 74.14 110.991 178.591 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 109.985 -0.376 . . . . 74.41 109.985 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mm -111.47 115.83 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.133 0.573 . . . . 72.14 109.598 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 7' ' ' ILE . 10.4 tt -83.94 134.86 34.65 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.085 -1.08 . . . . 72.1 108.085 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.655 ' HB ' HD22 ' A' ' 6' ' ' LEU . 16.0 mm -116.53 135.58 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.032 0.533 . . . . 74.34 109.724 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -115.63 136.52 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 107.343 -1.355 . . . . 74.45 107.343 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -142.19 128.9 20.42 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.875 -1.158 . . . . 61.41 107.875 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.44 -9.15 59.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.736 0.414 . . . . 75.22 110.734 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.2 137.16 52.33 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.434 0.694 . . . . 71.22 111.098 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.75 -29.59 36.24 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.874 -1.057 . . . . 70.51 113.167 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -69.41 -41.37 76.47 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.515 -0.55 . . . . 74.11 109.515 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.06 -45.36 87.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.375 -0.83 . . . . 54.44 109.989 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -53.25 -48.35 68.3 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.942 0.776 . . . . 72.1 111.417 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.78 -54.41 46.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.867 0.467 . . . . 72.03 111.792 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -49.31 68.32 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.038 1.335 . . . . 63.45 109.823 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.641 ' SD ' HG21 ' A' ' 56' ' ' ILE . 4.3 ttp -53.61 -52.91 58.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 113.012 -1.904 . . . . 73.32 112.879 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 HD22 ' HG ' ' A' ' 6' ' ' LEU . 80.2 mt -65.35 -33.9 77.05 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.607 0.595 . . . . 75.21 112.607 -175.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.89 -30.36 65.31 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.551 0.532 . . . . 53.22 110.554 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD11 ' HG3' ' A' ' 42' ' ' MET . 95.2 mt -72.14 -37.84 69.36 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 122.721 0.408 . . . . 74.31 111.179 171.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 HD13 HD23 ' A' ' 68' ' ' LEU . 68.4 mt -68.51 -29.17 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 122.99 0.516 . . . . 71.14 110.357 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -61.15 -34.51 75.14 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.411 0.684 . . . . 63.41 110.534 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -72.02 -30.75 65.52 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.06 0.457 . . . . 74.31 110.259 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.1 -22.91 48.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.656 0.782 . . . . 75.23 110.859 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.03 31.48 75.21 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.007 -0.542 . . . . 73.13 113.987 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -88.86 150.64 22.79 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.009 0.523 . . . . 75.13 111.797 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 3' ' ' ILE . 31.4 mmmt -66.85 117.25 8.69 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.66 -1.155 . . . . 75.13 109.191 173.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.44 HG11 HD21 ' A' ' 68' ' ' LEU . 54.5 t -108.84 122.52 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.881 -0.414 . . . . 72.03 109.881 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -110.67 111.3 22.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.144 -1.798 . . . . 75.31 106.144 167.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 tp -106.29 133.79 50.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.577 0.751 . . . . 74.35 110.613 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 116' ' ' ILE . 39.4 tp -115.68 118.5 33.24 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 72.43 109.455 173.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB3' HD11 ' A' ' 90' ' ' LEU . 85.1 mt -103.27 122.89 45.72 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.831 0.853 . . . . 72.45 109.561 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -113.76 109.41 18.52 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.497 -0.927 . . . . 71.41 108.497 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -154.58 148.34 25.46 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.345 0.403 . . . . 75.1 110.066 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.5 -40.39 26.19 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.189 0.596 . . . . 73.1 112.287 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -86.37 95.62 9.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.277 -0.638 . . . . 72.51 109.277 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.588 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.3 mt-10 -71.6 -18.27 62.23 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.821 0.674 . . . . 72.24 112.821 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 3.9 m-20 -64.43 -46.93 81.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.288 -0.634 . . . . 71.12 109.288 172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.03 -36.96 58.88 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.368 -0.833 . . . . 71.12 110.357 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.588 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 30.1 tp -66.92 -51.62 53.05 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 123.889 0.876 . . . . 74.44 110.826 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 25.5 tp10 -59.43 -51.63 69.07 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.226 0.954 . . . . 65.22 110.041 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 1.4 tm-20 -52.72 -52.63 55.47 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.678 1.236 . . . . 74.15 111.472 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.83 -40.82 98.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.644 1.178 . . . . 74.21 111.146 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.04 -30.97 71.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.102 0.961 . . . . 73.15 111.054 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 9.0 mmm180 -63.64 -36.92 85.4 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.677 0.391 . . . . 73.22 111.295 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.9 -46.49 90.41 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.184 -0.916 . . . . 74.22 110.732 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.439 HG23 HD23 ' A' ' 80' ' ' LEU . 18.7 mt -74.54 -29.53 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 114.687 -1.142 . . . . 75.53 110.902 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.93 -34.46 73.49 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.526 -1.216 . . . . 74.34 109.805 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -73.88 -20.76 60.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.627 0.771 . . . . 74.24 110.991 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -71.88 -12.65 61.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.705 0.402 . . . . 75.13 110.584 172.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.96 52.69 4.23 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.769 -0.532 . . . . 71.13 111.769 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -127.64 145.07 51.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.159 0.584 . . . . 74.42 109.824 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.67 94.76 3.28 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.594 -0.891 . . . . 74.53 108.594 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.78 109.3 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.411 -0.588 . . . . 74.2 109.411 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 0.7 OUTLIER -101.83 150.56 23.04 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.237 -0.653 . . . . 74.45 109.237 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -98.4 155.42 17.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.703 0.801 . . . . 75.05 109.123 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.95 152.32 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.267 0.627 . . . . 74.42 110.289 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -119.01 -40.57 2.83 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.352 0.661 . . . . 71.21 111.581 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -94.91 155.29 16.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.814 0.446 . . . . 73.13 111.523 -172.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.61 -45.33 68.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.93 0.892 . . . . 73.34 112.182 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.68 -37.16 70.78 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.207 0.527 . . . . 72.33 109.745 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.29 -36.33 83.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.517 1.127 . . . . 75.41 111.04 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.52 -44.64 95.86 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.38 0.425 . . . . 61.03 110.657 175.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.413 HD12 ' HE3' ' A' ' 17' ' ' LYS . 72.2 mt -59.83 -33.21 71.46 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.905 0.753 . . . . 72.43 110.652 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.547 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 4.2 mmmp? -71.04 -53.02 16.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.367 -0.833 . . . . 64.23 111.445 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 81' ' ' LEU . 38.1 mm -63.3 -32.81 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 117.881 0.309 . . . . 71.44 111.126 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.2 t -64.2 -46.25 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.227 0.611 . . . . 71.24 110.832 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.6 ptm180 -69.89 -29.93 67.24 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.916 0.135 . . . . 73.22 110.67 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 45.7 mm-40 -69.57 -44.34 71.05 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.463 -0.569 . . . . 74.22 109.463 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 7.9 m-30 -55.15 -44.8 75.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.387 1.075 . . . . 70.33 112.15 175.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.29 -27.28 63.31 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.782 0.676 . . . . 74.15 112.035 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -76.34 -38.07 56.44 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.696 0.399 . . . . 74.42 110.418 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -60.68 -50.63 72.71 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.825 -0.806 . . . . 74.14 108.825 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.75 85.1 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.865 -1.516 . . . . 71.42 110.984 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.085 0 O-C-N 124.361 1.038 . . . . 72.31 113.102 -176.595 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.2 mttp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.848 0.356 . . . . 74.4 110.199 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 77' ' ' LYS . 39.1 mt -114.65 109.76 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 107.624 -1.25 . . . . 74.42 107.624 167.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.8 122.77 46.43 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.474 -0.936 . . . . 64.45 108.474 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 33.6 mm -89.71 112.21 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 108.034 -1.098 . . . . 73.21 108.034 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.702 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -93.83 134.85 35.75 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 107.344 -1.354 . . . . 73.02 107.344 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 HD11 HD21 ' A' ' 55' ' ' LEU . 82.2 mt -139.55 128.0 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.33 0.652 . . . . 70.4 109.342 176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -119.9 112.7 19.53 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -127.92 140.77 51.81 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.419 1.087 . . . . 71.45 108.301 167.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.08 -4.88 59.18 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.225 0.61 . . . . 73.11 110.283 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.49 109.76 21.61 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.998 0.919 . . . . 73.23 108.616 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.29 -18.63 64.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.971 0.908 . . . . 73.32 111.914 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.02 -56.16 24.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.255 0.972 . . . . 75.11 109.003 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 110' ' ' ASP . 4.1 mm? -65.08 -36.27 83.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.077 -0.51 . . . . 72.31 111.433 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 HG22 ' HE2' ' A' ' 19' ' ' LYS . 60.5 mt -53.75 -56.53 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.655 0.597 . . . . 74.33 110.466 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.46 -37.28 74.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.088 0.403 . . . . 71.43 112.088 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -66.76 -44.43 81.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.109 0.564 . . . . 74.14 111.163 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.87 -42.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 123.885 0.741 . . . . 75.11 109.683 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE2' HG22 ' A' ' 15' ' ' ILE . 55.4 mtmt -60.95 -31.44 70.99 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 119.113 -0.47 . . . . 73.22 111.741 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -72.3 -52.16 17.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.426 0.29 . . . . 75.54 110.58 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 mm-40 -43.82 -53.98 5.57 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.137 0.975 . . . . 73.22 112.054 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.547 HG11 ' SD ' ' A' ' 121' ' ' MET . 6.1 m -83.6 -21.28 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.631 -1.168 . . . . 73.12 111.885 -169.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.48 -46.74 86.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.908 0.883 . . . . 72.01 110.004 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -65.02 -29.5 70.41 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.265 -0.88 . . . . 70.12 110.654 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.6 mm-40 -83.35 -0.02 47.94 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.318 0.647 . . . . 74.22 111.809 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.6 29.32 57.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.852 0.701 . . . . 72.22 114.852 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -102.42 122.76 44.93 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 117.373 0.587 . . . . 75.23 109.703 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -84.56 120.1 25.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.342 0.657 . . . . 75.13 109.512 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 23.2 t -96.03 143.49 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.329 0.652 . . . . 73.21 111.273 -175.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -118.72 118.08 30.66 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.257 -1.016 . . . . 74.52 108.257 171.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.11 116.92 23.13 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.094 -1.076 . . . . 75.21 108.094 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.08 115.77 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 108.263 -1.014 . . . . 74.23 108.263 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -137.97 17.38 2.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.681 1.192 . . . . 72.22 108.399 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -143.74 138.19 28.64 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.576 1.151 . . . . 72.23 110.296 -176.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.4 t -63.8 -42.75 97.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.161 0.984 . . . . 75.43 113.154 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.06 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 123.038 0.211 . . . . 52.5 110.626 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 22.4 mm-40 -64.93 -46.25 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.838 0.455 . . . . 73.11 110.366 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 66' ' ' GLU . 6.9 tt -55.67 -51.01 68.73 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.039 0.936 . . . . 70.0 111.264 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -69.52 -40.87 76.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.262 -0.881 . . . . 74.12 111.474 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 10.0 mtmp? -72.46 -24.09 61.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.007 0.523 . . . . 74.25 111.657 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 48.7 mm-40 -68.29 -44.11 76.21 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 110.026 -0.361 . . . . 72.53 110.026 169.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.602 ' HE1' ' SD ' ' A' ' 67' ' ' MET . 22.6 mmt -64.57 -25.68 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.333 0.653 . . . . 75.2 112.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.08 -57.71 10.57 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.562 0.539 . . . . 74.12 109.892 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -65.61 -33.97 77.14 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.584 0.754 . . . . 75.3 112.242 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.682 0.793 . . . . 64.35 110.184 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 112.141 0.423 . . . . 71.1 112.141 -177.725 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.241 0.642 0 N-CA-C 109.348 -0.612 . . . . 74.42 109.348 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -100.55 122.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 115.894 -0.594 . . . . 74.33 109.919 -170.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.536 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 7.1 tt -87.83 127.71 35.34 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.245 -1.391 . . . . 72.13 107.245 169.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.702 ' HB ' HD21 ' A' ' 6' ' ' LEU . 23.2 mm -107.02 112.27 39.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.9 -0.778 . . . . 73.14 108.9 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.4 mt -95.19 114.53 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.037 -1.468 . . . . 71.4 107.037 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -112.1 118.53 35.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.852 -1.536 . . . . 70.4 106.852 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.12 -32.16 72.25 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.681 0.613 . . . . 75.23 110.385 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -100.33 134.86 42.64 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 74.13 109.817 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.4 -22.97 47.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.543 0.737 . . . . 73.52 112.937 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 6.7 tp60 -72.44 -42.02 65.5 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.983 -0.747 . . . . 75.14 108.983 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.47 -31.54 72.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.28 0.632 . . . . 75.31 110.689 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 HD12 HD12 ' A' ' 80' ' ' LEU . 6.9 tt -61.12 -47.33 86.77 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.855 0.462 . . . . 74.45 110.182 173.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 9.8 mtpm? -57.91 -56.52 20.96 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.821 0.701 . . . . 63.41 110.982 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.6 mm-40 -57.59 -39.03 75.89 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.966 0.791 . . . . 70.31 110.619 -176.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.602 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 37.2 tpp -56.22 -56.63 18.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.395 1.059 . . . . 75.14 110.243 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 71' ' ' ILE . 95.5 mt -72.58 -27.63 62.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.641 0.776 . . . . 72.12 112.935 -172.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.55 -36.14 60.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.919 0.488 . . . . 75.44 110.071 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' HG3' ' A' ' 42' ' ' MET . 79.6 mt -67.38 -38.69 85.13 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.43 110.65 170.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 76' ' ' TYR . 84.9 mt -67.2 -30.33 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.601 0.761 . . . . 74.42 110.162 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -68.22 -35.48 78.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.951 0.501 . . . . 73.45 110.311 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.64 -38.47 77.17 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.84 0.856 . . . . 75.21 110.672 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.93 -18.74 49.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.982 0.913 . . . . 73.21 111.502 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.84 29.87 68.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.469 0.948 . . . . 74.44 115.469 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' HB2' HG22 ' A' ' 71' ' ' ILE . 20.0 m-85 -83.62 146.15 28.44 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.102 0.951 . . . . 74.3 111.135 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HB3' HG12 ' A' ' 3' ' ' ILE . 15.7 tppt? -73.87 124.94 27.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.487 0.715 . . . . 71.31 110.079 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.35 139.35 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.383 0.611 . . . . 72.52 111.335 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -112.25 113.91 26.4 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 106.638 -1.616 . . . . 74.23 106.638 166.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 31.6 tp -102.17 140.94 35.78 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.614 0.765 . . . . 73.04 110.737 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.9 tp -126.14 120.72 30.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.068 0.947 . . . . 75.21 109.55 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.56 118.5 35.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.437 1.095 . . . . 73.35 109.452 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -102.16 117.34 34.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.949 0.34 . . . . 74.33 110.415 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 13.6 m-20 -147.6 146.38 29.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.535 1.134 . . . . 54.42 108.776 173.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -84.86 -17.04 39.22 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.922 -0.581 . . . . 73.53 109.624 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.96 85.99 6.84 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.733 0.813 . . . . 64.42 108.828 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.37 -26.65 68.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.484 0.713 . . . . 72.22 112.915 -173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.79 -55.01 26.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.783 0.833 . . . . 73.25 110.271 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.06 -41.33 70.86 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.689 -0.687 . . . . 74.53 109.95 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 27.0 tp -57.27 -41.07 79.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.725 1.21 . . . . 72.44 111.002 177.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.59 -49.35 75.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.623 0.577 . . . . 75.44 111.056 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -58.3 -54.84 42.46 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.108 0.88 . . . . 75.51 111.507 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -64.53 -33.9 76.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.865 0.466 . . . . 73.22 110.729 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.6 OUTLIER -63.49 -58.62 6.45 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.419 0.687 . . . . 64.33 111.165 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -65.98 -31.48 72.41 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.727 0.642 . . . . 74.53 112.394 -171.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.16 -40.61 96.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.158 0.583 . . . . 73.51 111.189 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.0 mt -82.48 -27.35 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.629 0.771 . . . . 71.24 110.847 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.97 -27.45 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.847 -0.615 . . . . 72.31 109.775 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -76.47 -16.09 59.75 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.658 0.783 . . . . 72.35 110.823 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -77.59 -6.32 53.33 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.984 0.513 . . . . 73.35 110.812 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 50.0 3.43 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.431 0.457 . . . . 74.45 112.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -131.35 144.55 51.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.43 0.692 . . . . 75.25 110.157 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.5 91.07 3.9 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.263 -1.014 . . . . 72.51 108.263 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.479 HG12 ' HG2' ' A' ' 94' ' ' LYS . 30.0 t -104.55 133.53 48.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 108.087 -1.079 . . . . 52.4 108.087 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 4.5 tpt180 -121.69 146.45 47.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 110.166 -0.309 . . . . 75.52 110.166 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.535 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 54.3 mtpt -96.04 138.38 33.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 74.12 108.146 173.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.2 137.83 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 123.416 0.447 . . . . 71.13 110.671 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 p -104.55 -52.91 2.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.996 0.918 . . . . 73.13 109.517 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.51 139.86 42.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.162 0.585 . . . . 64.12 110.474 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' HD23 ' A' ' 14' ' ' LEU . 2.8 m-20 -71.55 -36.57 71.0 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.571 0.748 . . . . 74.41 110.098 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.22 -34.93 79.54 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.215 -0.902 . . . . 74.31 110.708 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.9 tt0 -73.95 -33.38 63.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.691 1.196 . . . . 72.15 109.894 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.483 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -59.07 -49.6 77.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.769 0.428 . . . . 54.15 110.612 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.69 -44.82 81.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.923 0.889 . . . . 74.43 111.524 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 19.4 ptmt -75.43 -29.33 59.69 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.083 -0.508 . . . . 75.33 111.633 -172.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.2 mm -72.47 -32.0 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 117.772 0.26 . . . . 71.42 110.404 176.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 113' ' ' ALA . 48.6 t -62.56 -39.5 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 109.72 -0.474 . . . . 65.34 109.72 172.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.3 -41.63 97.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.4 0.68 . . . . 74.01 110.382 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 35.7 mm-40 -63.67 -44.72 92.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.657 0.783 . . . . 73.05 111.236 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.429 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 11.8 m-30 -60.6 -46.47 90.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.164 0.986 . . . . 73.0 112.578 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.547 ' SD ' HG11 ' A' ' 22' ' ' VAL . 74.3 mtm -68.03 -31.19 70.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.488 0.715 . . . . 75.3 111.655 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.42 -47.45 67.22 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.591 0.557 . . . . 74.31 110.862 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -65.23 -42.38 93.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.344 0.658 . . . . 65.2 110.171 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.82 88.77 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.922 0.889 . . . . 61.44 110.905 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.06 0 CA-C-N 114.823 -1.08 . . . . 64.45 112.915 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.857 ' HZ3' ' HA ' ' A' ' 45' ' ' LEU . 18.9 ptpt . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 108.83 -0.804 . . . . 72.14 108.83 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.6 mt -105.23 122.61 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 109.045 -0.724 . . . . 71.22 109.045 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.423 ' HB2' HG23 ' A' ' 78' ' ' VAL . 69.1 mt -105.59 111.25 23.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.185 0.594 . . . . 75.14 109.437 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 120' ' ' PHE . 21.9 mm -89.02 99.41 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 107.046 -1.465 . . . . 74.35 107.046 172.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.511 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.2 111.52 23.19 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 106.591 -1.633 . . . . 74.13 106.591 -174.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.61 124.35 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.045 0.538 . . . . 64.25 109.714 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.4 t30 -113.33 114.83 27.2 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.9 -1.148 . . . . 71.05 107.9 174.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -123.4 146.94 47.59 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.36 0.664 . . . . 74.35 110.632 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.19 -36.9 22.47 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.022 -0.535 . . . . 72.51 110.213 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.555 ' HB2' HD21 ' A' ' 14' ' ' LEU . 77.3 m-20 -98.44 131.85 44.37 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.06 -0.973 . . . . 72.23 111.228 -167.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.35 -29.81 70.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.476 1.111 . . . . 71.54 111.9 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.51 -49.47 64.73 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.784 0.834 . . . . 71.43 111.134 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -67.24 -30.11 69.93 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 116.141 -0.481 . . . . 75.13 111.798 -172.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 37.0 mt -57.06 -60.18 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-O 120.947 0.404 . . . . 73.24 110.004 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -69.67 -37.03 76.52 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.53 -0.759 . . . . 73.55 112.472 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.4 mtpt -74.29 -40.99 61.91 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.191 0.596 . . . . 75.14 112.202 -176.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.404 HG23 HG12 ' A' ' 117' ' ' VAL . 83.0 mt -61.54 -38.62 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 109.514 -0.55 . . . . 72.41 109.514 174.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HG2' HG22 ' A' ' 29' ' ' VAL . 56.4 mtmt -59.32 -35.65 74.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.283 0.364 . . . . 74.41 111.652 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.96 -54.3 28.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.736 0.414 . . . . 74.15 110.43 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.7 mm-40 -46.68 -52.29 14.15 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.727 1.211 . . . . 74.12 112.715 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.619 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 m -87.21 -11.84 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.129 -0.941 . . . . 74.3 112.026 -170.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.0 -45.7 86.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.423 0.689 . . . . 74.02 110.311 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.45 -31.14 71.7 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.825 -1.08 . . . . 55.4 110.747 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -91.58 -1.86 57.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.889 0.875 . . . . 74.52 112.081 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.75 29.19 69.72 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.835 1.094 . . . . 70.43 115.835 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.619 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.4 m-85 -90.06 112.77 24.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 117.704 0.752 . . . . 75.01 109.231 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' HB2' HD12 ' A' ' 54' ' ' ILE . 54.7 mt-30 -70.93 104.32 2.92 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.827 0.851 . . . . 72.31 109.81 -175.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG22 ' HG2' ' A' ' 19' ' ' LYS . 48.7 t -79.35 134.44 27.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.934 0.397 . . . . 75.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -119.95 107.92 13.7 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.405 -1.702 . . . . 65.53 106.405 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.77 119.85 24.4 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.529 -0.545 . . . . 61.42 109.529 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.642 HG13 HD13 ' A' ' 63' ' ' LEU . 98.7 t -111.73 112.49 40.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 N-CA-C 108.16 -1.052 . . . . 75.14 108.16 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -105.55 -28.49 10.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.079 0.952 . . . . 75.3 110.562 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -139.5 162.22 35.6 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.561 0.744 . . . . 64.22 110.211 -168.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -48.81 -45.6 40.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.92 1.288 . . . . 73.32 112.736 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 1.5 m-20 -57.27 -49.29 76.52 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.142 0.577 . . . . 74.53 110.227 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 30.3 mm-40 -55.62 -43.01 75.74 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 124.256 0.973 . . . . 74.25 110.468 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 42' ' ' MET . 6.5 tt -54.97 -56.97 13.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.903 0.881 . . . . 72.11 109.959 173.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 56.6 mtpt -58.86 -33.55 70.58 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.948 -1.024 . . . . 73.44 111.282 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 75.7 mmtt -68.42 -52.42 33.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.464 0.705 . . . . 74.15 110.629 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.2 mm-40 -72.14 -31.82 66.33 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.096 -0.502 . . . . 73.53 111.837 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.508 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.1 mmm -70.59 -24.34 62.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.847 0.459 . . . . 74.12 111.197 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.0 mmtp -64.9 -44.63 88.94 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.971 -0.381 . . . . 73.43 109.971 171.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.88 -30.21 70.77 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.662 0.601 . . . . 74.21 111.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.857 ' HA ' ' HZ3' ' A' ' 2' ' ' LYS . 66.9 mt -70.62 -47.0 62.3 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.994 -0.373 . . . . 75.45 109.994 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 123.846 0.859 . . . . 72.13 113.066 -175.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 C--O 1.239 0.523 0 N-CA-C 107.406 -1.331 . . . . 75.22 107.406 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.584 HG23 HD23 ' A' ' 45' ' ' LEU . 40.9 mm -101.09 115.48 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.835 -0.802 . . . . 75.23 108.835 -175.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -94.13 121.33 35.51 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 107.349 -1.352 . . . . 74.41 107.349 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.733 HG23 ' SD ' ' A' ' 67' ' ' MET . 17.9 mm -100.24 133.35 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 108.236 -1.024 . . . . 65.42 108.236 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.83 123.99 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.465 -0.939 . . . . 75.42 108.465 169.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.5 t -122.08 124.31 43.62 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 107.869 -1.159 . . . . 74.21 107.869 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.81 -5.99 54.89 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 120.996 0.427 . . . . 70.4 110.089 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -133.85 143.33 48.26 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.233 0.457 . . . . 74.45 112.233 -173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -69.59 -37.01 76.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.982 0.913 . . . . 73.34 112.48 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 7.4 tp60 -65.07 -41.22 95.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.382 -0.599 . . . . 75.41 109.382 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.642 HD13 HG13 ' A' ' 32' ' ' VAL . 96.0 mt -56.97 -50.67 71.97 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.675 -0.693 . . . . 72.22 110.376 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.561 HD13 HD12 ' A' ' 80' ' ' LEU . 9.8 tt -56.9 -44.09 81.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 116.013 -0.54 . . . . 75.11 111.462 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 9.0 mtpm? -58.07 -57.44 12.81 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.084 0.954 . . . . 72.3 111.8 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.3 mm-40 -60.57 -43.11 97.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.498 -0.774 . . . . 72.42 110.423 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.733 ' SD ' HG23 ' A' ' 56' ' ' ILE . 11.1 ttp -59.25 -47.74 84.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.626 -1.17 . . . . 60.12 111.52 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 71' ' ' ILE . 56.5 mt -66.1 -31.94 73.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.835 0.454 . . . . 75.31 111.635 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -41.54 96.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.324 0.65 . . . . 64.34 109.622 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 89.8 mt -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.706 -1.134 . . . . 72.14 111.093 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.646 HD11 HD22 ' A' ' 68' ' ' LEU . 91.0 mt -64.75 -34.23 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.539 0.736 . . . . 75.43 110.403 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -61.21 -33.13 72.98 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.779 0.831 . . . . 65.12 110.301 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -75.84 -44.77 39.31 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.594 0.757 . . . . 73.44 110.872 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.1 mt -69.14 -33.36 73.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.443 0.697 . . . . 64.42 112.293 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 68.87 1.44 Allowed Glycine 0 C--N 1.347 1.159 0 O-C-N 123.371 0.419 . . . . 71.14 113.519 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -126.08 148.85 49.25 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.318 0.647 . . . . 71.32 111.119 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -80.36 113.18 18.35 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.966 -1.124 . . . . 63.52 107.966 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 4' ' ' LEU . 66.3 t -103.93 135.59 40.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.731 0.813 . . . . 74.32 110.727 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 89.9 m-85 -106.15 113.97 27.83 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.441 -1.689 . . . . 75.3 106.441 163.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.561 HD12 HD13 ' A' ' 64' ' ' LEU . 62.8 tp -100.54 127.16 46.99 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.763 0.425 . . . . 74.44 110.236 -176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 22.2 tp -107.83 115.41 30.08 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.409 1.084 . . . . 73.31 108.358 166.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.98 112.17 24.46 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 107.717 -1.216 . . . . 71.44 107.717 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.64 103.95 14.78 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.991 -1.115 . . . . 75.12 107.991 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.18 118.81 23.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.85 -1.537 . . . . 74.21 106.85 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -68.03 -22.71 64.95 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.192 0.932 . . . . 74.34 110.059 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -98.9 115.05 27.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.361 -1.348 . . . . 63.51 107.361 171.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -85.84 6.63 27.29 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.34 0.867 . . . . 72.33 113.34 -173.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.68 -33.67 25.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.238 -1.023 . . . . 72.12 108.238 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.67 -50.58 62.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.53 0.732 . . . . 74.0 109.887 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.577 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 39.7 tp -57.34 -54.42 46.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.442 1.089 . . . . 73.54 111.656 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.43 -54.21 43.57 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.071 0.548 . . . . 75.11 112.375 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -57.42 -40.74 78.98 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.933 0.771 . . . . 74.11 112.336 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.417 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 3.2 t80 -75.42 -37.13 60.61 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.756 0.422 . . . . 74.24 110.071 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -63.34 -53.6 50.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.662 1.185 . . . . 74.42 111.773 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -58.5 -32.6 68.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.305 0.642 . . . . 72.12 112.278 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.27 -51.76 58.68 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.438 0.637 . . . . 70.4 110.969 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 102' ' ' TYR . 63.8 mt -77.77 -30.01 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 114.956 -1.02 . . . . 75.25 111.862 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.45 -21.89 55.31 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.514 0.725 . . . . 71.24 110.162 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -76.63 -20.4 56.75 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.285 0.634 . . . . 72.34 110.879 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -86.69 8.65 21.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.646 0.778 . . . . 73.42 111.036 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.36 18.16 72.05 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 114.052 0.381 . . . . 74.31 114.052 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' HB2' HG21 ' A' ' 97' ' ' ILE . 89.7 m-85 -94.59 131.74 40.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.078 0.551 . . . . 75.44 109.746 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -72.39 99.95 2.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.594 0.757 . . . . 70.13 109.524 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.537 HG23 HD22 ' A' ' 80' ' ' LEU . 19.3 t -99.02 125.49 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 109.899 -0.408 . . . . 74.12 109.899 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 148.49 28.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.979 -0.748 . . . . 75.13 108.979 174.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 106' ' ' LYS . 8.3 mtpm? -96.38 147.57 23.68 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.787 0.835 . . . . 73.24 110.757 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -166.76 149.61 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.45 0.7 . . . . 74.35 110.59 163.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.3 p -120.08 -39.67 2.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.662 1.185 . . . . 74.5 109.482 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.56 148.41 35.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.67 0.788 . . . . 61.53 110.748 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.62 -46.63 21.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.892 0.877 . . . . 73.22 110.044 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.62 -41.5 96.15 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.413 -0.812 . . . . 75.32 109.962 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 116' ' ' ILE . 25.2 tt0 -68.63 -36.65 78.9 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 115.865 -0.607 . . . . 63.24 111.087 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.527 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -53.99 -44.79 71.12 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.851 0.46 . . . . 74.42 111.741 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.501 HD11 ' HE2' ' A' ' 17' ' ' LYS . 75.4 mt -60.16 -44.59 94.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 123.649 0.593 . . . . 74.41 111.401 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 21.0 pttp -77.26 -18.16 57.82 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.001 0.52 . . . . 74.32 111.478 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.4 mm -79.14 -32.44 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 122.64 0.376 . . . . 75.21 110.243 170.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 113' ' ' ALA . 98.1 t -61.79 -39.81 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.877 0.471 . . . . 73.22 110.37 174.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.1 ptm180 -71.01 -22.15 62.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.083 -0.508 . . . . 74.11 111.21 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.462 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 70.2 mm-40 -64.58 -42.43 95.63 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.765 0.426 . . . . 75.02 110.006 171.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.552 ' HB3' HD12 ' A' ' 5' ' ' ILE . 27.2 m-85 -66.69 -42.57 86.25 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.71 -0.677 . . . . 75.13 111.086 175.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.601 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.9 mtm -65.29 -30.88 71.79 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.007 0.523 . . . . 72.24 111.741 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.52 -54.74 31.5 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.766 1.227 . . . . 75.32 111.0 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.462 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 52.3 mttp -74.58 -31.59 62.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.144 -0.934 . . . . 74.12 111.529 -172.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.27 64.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.799 0.839 . . . . 73.51 110.305 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.263 0 O-C-N 123.486 0.491 . . . . 74.51 112.146 171.413 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.801 0.334 . . . . 74.12 110.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.631 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 44.2 mt -94.85 138.77 20.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.971 0.909 . . . . 73.51 108.869 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -110.3 116.35 31.32 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.688 0.795 . . . . 74.31 109.999 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 29.8 mm -89.02 106.66 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 107.659 -1.237 . . . . 74.34 107.659 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.677 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -94.25 126.78 39.71 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.822 -1.177 . . . . 63.54 107.822 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.501 HD11 HD23 ' A' ' 55' ' ' LEU . 70.6 mt -129.55 126.33 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 108.705 -0.85 . . . . 73.52 108.705 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -118.45 119.54 34.89 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.161 -1.052 . . . . 74.23 108.161 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 14' ' ' LEU . 8.0 t -124.95 142.77 51.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.306 -0.628 . . . . 71.31 109.306 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -88.71 -9.22 52.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.956 -0.565 . . . . 74.53 110.527 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -110.64 113.9 26.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.228 1.011 . . . . 62.3 109.588 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.34 -15.89 58.76 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.495 1.118 . . . . 70.22 112.933 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -56.83 -42.1 79.01 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.483 0.49 . . . . 73.42 110.411 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB2' HG23 ' A' ' 9' ' ' THR . 3.9 mm? -64.4 -31.73 73.05 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.144 -0.48 . . . . 62.22 112.125 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 HG21 ' HE3' ' A' ' 19' ' ' LYS . 36.2 mt -62.44 -57.44 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.574 -0.528 . . . . 73.43 109.574 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -64.97 -36.51 84.62 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.331 -0.849 . . . . 73.22 111.705 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -68.52 -50.21 53.84 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.221 0.609 . . . . 74.33 111.928 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.89 -32.18 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.499 0.72 . . . . 72.54 110.777 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HG2' HG11 ' A' ' 29' ' ' VAL . 97.3 mttt -58.47 -36.36 73.6 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.801 0.44 . . . . 72.23 111.582 174.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -75.6 -47.07 28.19 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.627 -0.508 . . . . 74.01 109.627 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.45 -53.6 35.39 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.279 1.031 . . . . 73.3 112.957 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.494 HG23 HD11 ' A' ' 55' ' ' LEU . 11.6 m -88.29 -2.13 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 115.865 -0.607 . . . . 74.43 111.91 -172.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.97 -41.29 97.6 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.046 -0.724 . . . . 74.33 109.046 166.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -68.98 -13.02 62.21 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.762 -1.108 . . . . 74.3 111.562 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.27 -4.72 17.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.549 0.74 . . . . 75.11 111.363 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.62 30.19 75.98 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.956 0.742 . . . . 74.5 114.956 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -98.14 121.15 39.72 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.359 -0.978 . . . . 72.43 108.359 173.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.68 113.9 12.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.564 0.54 . . . . 74.4 110.294 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' HG2' ' A' ' 19' ' ' LYS . 2.8 t -85.56 128.53 39.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.48 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -128.77 149.16 50.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.684 1.194 . . . . 74.22 108.339 168.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.09 132.07 27.78 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.883 0.873 . . . . 72.51 109.155 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.66 120.24 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.465 0.706 . . . . 74.33 109.628 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -100.29 -24.16 14.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.406 1.082 . . . . 74.23 111.22 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.23 142.47 50.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.94 0.496 . . . . 75.21 110.617 -168.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 m -65.62 -38.64 89.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.745 0.818 . . . . 73.13 112.384 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.04 -37.3 84.41 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.582 0.753 . . . . 70.31 110.516 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 35.5 mm-40 -71.47 -42.36 68.22 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.122 -0.944 . . . . 73.41 110.236 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.27 -56.28 13.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.592 1.157 . . . . 75.41 111.499 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.94 -37.55 79.87 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.133 0.896 . . . . 74.34 111.202 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 34.4 mtmm -71.78 -32.7 67.93 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.971 -0.558 . . . . 74.22 111.856 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . 30.3 mt-10 -85.02 -19.26 32.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.157 0.583 . . . . 75.3 111.62 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.523 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 9.6 mmt -68.32 -31.79 71.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.735 0.414 . . . . 74.22 109.994 167.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 40' ' ' LYS . 9.4 mtmp? -71.21 -45.52 63.15 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.741 -0.663 . . . . 74.41 109.228 172.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.663 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 4.1 mmmp? -52.49 -41.21 63.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.296 1.038 . . . . 64.42 112.769 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.96 -36.96 85.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.819 0.448 . . . . 74.11 111.586 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.696 ' HB2' HD23 ' A' ' 74' ' ' LEU . . . . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 123.859 0.864 . . . . 70.24 112.783 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 63.0 mmtt . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.056 -0.72 . . . . 73.25 109.056 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -110.44 131.44 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.74 -0.467 . . . . 74.31 109.74 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 7' ' ' ILE . 7.6 tt -102.06 122.63 44.46 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 107.482 -1.303 . . . . 75.14 107.482 174.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.677 ' HB ' HD23 ' A' ' 6' ' ' LEU . 30.3 mm -108.46 122.87 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.039 -0.726 . . . . 73.31 109.039 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.9 mt -105.31 144.78 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.654 0.781 . . . . 73.43 109.42 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.1 t -142.64 154.38 44.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.806 0.843 . . . . 72.05 108.868 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.413 ' ND2' HD11 ' A' ' 15' ' ' ILE . 21.6 m120 -94.94 -26.11 16.26 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.269 0.557 . . . . 74.31 110.116 172.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -108.37 125.54 51.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.978 -1.01 . . . . 74.43 109.615 -167.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 49.9 mtmt -72.95 -24.48 60.8 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.14 -0.937 . . . . 73.42 112.372 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.3 -39.05 65.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.837 0.455 . . . . 72.44 109.824 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -58.11 -47.08 84.36 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 116.005 -0.543 . . . . 71.32 109.598 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.747 HD12 HD13 ' A' ' 80' ' ' LEU . 7.3 tt -54.99 -43.47 73.58 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.751 -1.113 . . . . 64.42 111.753 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.502 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 8.5 mtpm? -55.75 -58.57 7.26 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.683 0.614 . . . . 75.11 111.193 176.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.21 -40.06 84.62 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.949 0.781 . . . . 73.43 111.12 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.534 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.5 tpp -53.3 -57.35 10.85 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.209 1.404 . . . . 71.43 110.456 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 71' ' ' ILE . 82.1 mt -67.37 -34.38 77.17 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.359 0.663 . . . . 74.43 112.652 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.72 -38.27 86.36 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.6 0.563 . . . . 75.44 110.819 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -73.94 -33.82 64.07 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.737 -0.665 . . . . 75.33 111.08 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.543 HD11 HD21 ' A' ' 68' ' ' LEU . 94.8 mt -65.25 -32.21 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.255 0.622 . . . . 75.22 110.512 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -63.68 -33.12 74.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.413 0.685 . . . . 72.01 110.479 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -77.77 -32.29 52.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.729 -0.669 . . . . 75.52 110.6 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' ' 46' ' ' ALA . 81.1 mt -69.27 -33.79 73.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.375 0.67 . . . . 74.35 110.682 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.96 57.75 3.16 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.786 0.679 . . . . 72.51 112.435 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.96 154.72 38.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.028 0.531 . . . . 73.43 110.24 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -80.77 126.89 31.87 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.264 0.626 . . . . 74.5 109.99 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -107.46 132.71 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.888 0.475 . . . . 72.44 110.293 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 74.6 m-85 -114.79 114.16 25.2 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 107.079 -1.452 . . . . 75.51 107.079 165.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.747 HD13 HD12 ' A' ' 64' ' ' LEU . 40.8 tp -109.15 132.76 53.81 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.409 0.684 . . . . 75.02 111.753 -168.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 29.0 tp -118.86 117.33 28.57 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.43 1.092 . . . . 61.01 108.688 174.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.87 112.15 24.24 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.841 0.456 . . . . 74.42 110.01 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 53.1 tt0 -101.53 105.1 16.03 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.08 -1.082 . . . . 74.54 108.08 173.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 90' ' ' LEU . 22.0 t70 -153.87 129.96 10.34 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.321 -0.992 . . . . 71.41 108.321 -176.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -84.75 -14.0 49.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.277 0.631 . . . . 72.34 111.967 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.98 69.91 6.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.583 -0.895 . . . . 74.41 108.583 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.625 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 42.5 mt-10 -57.14 -19.19 18.65 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.977 1.103 . . . . 75.32 113.977 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.43 -54.12 41.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 70.41 109.905 172.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.22 -41.33 77.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.363 -0.835 . . . . 74.23 110.17 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.625 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 49.8 tp -65.44 -31.03 71.9 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 124.525 1.13 . . . . 74.22 111.846 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -66.64 -48.45 69.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.535 -0.543 . . . . 73.2 109.535 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.42 -47.99 81.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.768 -1.105 . . . . 71.32 110.323 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 71.1 t80 -58.72 -42.89 89.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.497 -1.229 . . . . 75.43 110.784 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.9 -51.97 64.88 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.913 -1.04 . . . . 73.45 110.691 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -60.26 -31.57 70.34 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.845 0.716 . . . . 75.42 112.007 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -57.65 -50.34 73.5 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.436 0.636 . . . . 74.34 110.156 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.7 mt -80.19 -27.56 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 114.339 -1.3 . . . . 73.51 111.598 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -73.3 -32.7 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.051 0.94 . . . . 72.34 109.539 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -74.32 -14.53 60.9 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.506 0.722 . . . . 61.43 110.967 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -86.24 9.74 16.77 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.624 0.769 . . . . 75.04 111.399 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.31 21.77 78.47 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 122.862 0.268 . . . . 71.51 113.69 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -96.11 144.98 25.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.884 0.474 . . . . 64.52 110.701 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -76.46 100.3 5.19 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.447 -0.945 . . . . 74.31 108.447 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.71 114.74 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.166 -0.309 . . . . 75.42 110.166 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.581 ' HG2' HG22 ' A' ' 116' ' ' ILE . 2.2 tpm_? -101.34 143.89 30.83 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.456 0.702 . . . . 74.2 109.558 174.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -95.94 145.17 25.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 123.754 0.822 . . . . 75.11 108.893 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 13.1 p -153.88 147.68 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.089 -0.708 . . . . 74.35 109.089 173.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.7 p -119.8 -28.91 5.12 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.416 0.686 . . . . 75.2 110.411 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.06 144.35 25.34 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.673 0.789 . . . . 71.32 110.885 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.57 -44.67 33.67 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.122 1.369 . . . . 73.32 110.93 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.85 -37.14 78.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.269 -0.878 . . . . 74.53 109.808 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' ILE . 8.5 tp10 -61.36 -47.94 83.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.833 -1.076 . . . . 74.22 110.358 175.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.64 -44.97 66.46 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.212 0.945 . . . . 60.4 112.172 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.13 -39.58 69.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.809 0.844 . . . . 72.35 111.854 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -77.15 -32.72 56.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.404 -0.816 . . . . 73.51 111.316 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.581 HG22 ' HG2' ' A' ' 105' ' ' ARG . 24.2 mm -69.56 -30.99 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.491 0.186 . . . . 75.45 110.511 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.2 t -57.03 -38.82 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 123.014 0.526 . . . . 65.41 109.946 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -59.41 -38.76 81.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.124 -0.944 . . . . 73.42 111.358 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.87 -55.1 38.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.981 0.801 . . . . 75.3 111.071 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 27.4 m-85 -55.3 -47.79 75.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.009 0.818 . . . . 70.44 112.894 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.02 -38.88 92.7 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.263 0.977 . . . . 72.43 111.737 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -70.38 -41.47 73.03 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.581 0.752 . . . . 72.5 111.464 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.58 -41.83 68.53 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.693 0.797 . . . . 73.44 109.72 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.67 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.79 0.836 . . . . 71.0 111.077 172.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.26 0 CA-C-N 115.041 -0.981 . . . . 32.12 112.131 177.644 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HA ' ' HZ3' ' A' ' 53' ' ' LYS . 16.6 pttt . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.189 0.518 . . . . 71.23 111.358 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.484 HG12 ' HB2' ' A' ' 77' ' ' LYS . 79.8 mt -107.83 133.63 52.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-N 114.893 -1.049 . . . . 71.02 108.833 177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.75 117.58 34.56 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.542 0.737 . . . . 74.15 109.541 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.18 103.46 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.667 -1.235 . . . . 74.33 107.667 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.42 126.69 36.59 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 106.781 -1.563 . . . . 75.42 106.781 -177.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.8 mt -131.32 125.31 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 121.218 0.532 . . . . 74.51 110.243 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.38 116.31 28.71 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.938 -1.504 . . . . 64.45 106.938 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.457 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.4 t -119.93 145.01 47.13 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.914 -0.773 . . . . 73.31 108.914 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.05 -28.19 54.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.633 0.773 . . . . 75.53 109.9 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -97.68 138.15 35.51 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.37 -0.832 . . . . 74.53 111.698 -170.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.59 -33.39 71.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.655 1.182 . . . . 74.33 110.956 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -39.56 81.38 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.504 -0.771 . . . . 75.41 110.728 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 110' ' ' ASP . 4.4 mm? -67.75 -23.45 65.25 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.38 0.511 . . . . 74.21 112.38 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.436 HG23 HG21 ' A' ' 57' ' ' ILE . 68.6 mt -57.24 -58.39 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 O-C-N 123.415 0.447 . . . . 73.23 109.862 171.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -71.84 -33.73 68.71 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.236 0.615 . . . . 72.12 112.425 -174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.83 -44.38 66.61 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.038 0.535 . . . . 72.24 111.2 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' HG11 ' A' ' 22' ' ' VAL . 66.1 mt -61.55 -39.82 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 123.823 0.702 . . . . 75.22 109.499 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HG2' HG21 ' A' ' 29' ' ' VAL . 96.8 mttt -56.49 -38.63 72.02 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 123.332 0.395 . . . . 73.44 111.645 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.8 mmpt? -68.72 -49.76 56.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.293 0.37 . . . . 73.43 111.207 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.3 mm-40 -50.39 -47.37 56.4 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.587 0.755 . . . . 75.32 112.001 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.583 HG12 ' SD ' ' A' ' 121' ' ' MET . 5.2 m -83.73 -21.25 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.268 0.627 . . . . 74.31 112.588 -173.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 36.9 tt0 -62.77 -39.17 93.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.786 0.835 . . . . 73.24 110.172 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -83.88 -1.58 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.165 -0.925 . . . . 74.53 111.74 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 32.2 mm-40 -110.17 -3.4 16.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.354 0.662 . . . . 64.1 111.754 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.24 32.81 55.19 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 114.28 0.472 . . . . 71.25 114.28 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.63 109.32 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.678 0.791 . . . . 74.12 109.366 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -83.12 114.28 21.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.269 1.028 . . . . 74.34 110.936 -169.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.442 HG21 ' HG2' ' A' ' 19' ' ' LYS . 44.5 t -81.96 141.4 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.23 0.612 . . . . 75.31 111.172 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB2' HD13 ' A' ' 56' ' ' ILE . 18.7 mmt85 -125.3 124.57 41.9 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.326 -1.361 . . . . 73.34 107.326 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -86.18 120.69 27.82 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 108.986 -0.746 . . . . 71.4 108.986 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.78 114.74 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.883 -1.154 . . . . 72.35 107.883 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -139.08 15.74 2.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.704 0.802 . . . . 64.33 110.262 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 21.6 t70 -145.05 150.52 37.01 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.166 -0.679 . . . . 72.02 109.166 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -55.36 -39.86 70.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.496 1.118 . . . . 71.15 112.975 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 29.6 m-20 -65.38 -39.42 92.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.108 0.563 . . . . 75.43 111.315 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 9.4 mm-40 -60.24 -41.51 93.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.347 0.659 . . . . 73.14 110.115 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.56 -51.52 69.07 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.925 -0.58 . . . . 75.15 110.902 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -64.18 -24.57 67.72 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.587 0.755 . . . . 73.45 112.109 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 31.8 mmmt -80.18 -55.93 4.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.182 0.593 . . . . 74.54 110.749 176.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.48 -36.3 76.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.174 0.589 . . . . 74.25 112.465 -169.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.495 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.1 mmm -68.65 -28.37 66.83 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.249 0.343 . . . . 74.12 111.519 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -74.73 -31.34 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.995 -0.526 . . . . 73.41 110.88 173.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -40.26 95.34 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.25 0.547 . . . . 73.4 110.21 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.86 -45.29 82.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.467 -1.242 . . . . 73.43 109.807 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.117 0 C-N-CA 123.953 0.901 . . . . 61.21 112.722 179.27 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HZ3' ' HA ' ' A' ' 2' ' ' LYS . 10.6 mmpt? . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 108.013 -1.106 . . . . 63.43 108.013 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.85 131.46 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-O 121.184 0.516 . . . . 74.13 109.784 -167.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -110.1 129.2 55.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.242 -1.392 . . . . 74.22 107.242 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.591 ' HB ' HD23 ' A' ' 6' ' ' LEU . 22.1 mm -110.78 113.73 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.138 -0.69 . . . . 74.42 109.138 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -91.48 113.72 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.474 -0.936 . . . . 74.23 108.474 169.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -126.35 117.75 23.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.099 -1.075 . . . . 61.21 108.099 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -89.93 2.6 54.88 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.48 0.712 . . . . 75.23 110.531 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.05 120.49 42.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.089 -1.078 . . . . 74.03 108.089 172.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.91 -21.19 47.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.945 0.498 . . . . 75.03 112.163 -172.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 7.0 tp60 -68.74 -45.95 70.13 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.361 -0.607 . . . . 72.4 109.361 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.29 -42.97 87.76 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.037 0.836 . . . . 75.41 110.191 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD12 HD12 ' A' ' 80' ' ' LEU . 6.2 tt -53.83 -47.88 70.47 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.96 0.788 . . . . 75.31 110.827 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -61.4 -50.28 73.49 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.769 0.828 . . . . 74.14 111.689 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 22.3 mm-40 -57.13 -47.05 82.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.625 0.726 . . . . 74.23 110.132 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' HG23 ' A' ' 56' ' ' ILE . 6.8 ttp -63.01 -40.84 98.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.447 -1.706 . . . . 75.42 111.876 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 71' ' ' ILE . 73.7 mt -66.84 -37.68 84.94 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.62 0.368 . . . . 74.41 111.439 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.15 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.383 0.427 . . . . 75.51 110.745 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.23 -47.16 74.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.437 0.695 . . . . 75.14 110.963 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 67' ' ' MET . 74.1 mt -63.58 -34.29 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 123.69 0.796 . . . . 75.24 110.376 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -63.68 -41.86 98.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.671 0.788 . . . . 65.02 110.286 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.78 -25.64 56.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.296 0.638 . . . . 74.14 110.995 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.2 mt -79.28 -27.14 42.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.435 0.694 . . . . 71.41 110.872 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 39.89 26.87 Favored Glycine 0 C--N 1.347 1.167 0 C-N-CA 123.405 0.526 . . . . 62.21 114.344 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.443 ' HB2' HG22 ' A' ' 71' ' ' ILE . 29.0 m-85 -99.08 151.16 21.26 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 117.155 0.478 . . . . 72.33 110.37 173.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.484 ' HB2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -70.21 133.89 47.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.518 0.727 . . . . 75.22 110.113 174.392 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.22 121.47 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.216 0.607 . . . . 73.14 110.076 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -112.43 114.79 27.68 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 106.155 -1.794 . . . . 74.15 106.155 167.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.497 HD22 HG13 ' A' ' 104' ' ' VAL . 61.2 tp -115.32 126.81 54.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.907 0.883 . . . . 74.45 110.581 -168.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.417 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 29.5 tp -110.68 116.55 31.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.789 0.836 . . . . 71.31 109.3 175.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.61 113.05 26.09 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.965 -0.754 . . . . 75.51 108.965 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 48.8 tt0 -106.01 109.56 21.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.791 0.436 . . . . 74.44 109.892 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 11.7 t70 -149.19 127.77 12.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.881 -1.155 . . . . 74.42 107.881 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -81.67 -7.52 59.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.333 0.653 . . . . 64.31 112.173 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.79 101.12 11.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 106.646 -1.613 . . . . 73.32 106.646 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 44.2 mt-10 -70.68 -12.96 61.88 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.523 -0.762 . . . . 72.14 112.778 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.14 -45.32 27.2 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.128 -0.693 . . . . 73.23 109.128 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.89 -39.9 79.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.189 0.595 . . . . 73.31 110.227 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 38.8 tp -63.97 -45.19 90.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.518 -1.219 . . . . 75.01 110.812 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.06 -47.97 82.31 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.774 0.671 . . . . 75.4 111.574 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.13 -43.47 92.0 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.056 0.847 . . . . 72.02 111.798 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -76.04 -31.67 58.95 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.224 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HG2' HG11 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -67.96 -50.21 57.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.909 0.884 . . . . 74.42 109.468 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.63 -23.44 60.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.507 0.504 . . . . 75.51 111.457 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.4 -48.0 83.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.222 1.009 . . . . 70.24 111.004 172.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -86.85 -17.0 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 114.934 -1.03 . . . . 74.32 110.959 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.29 -34.37 73.66 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.462 0.705 . . . . 73.12 110.373 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 t -68.15 -23.06 64.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.209 1.004 . . . . 71.11 111.937 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.72 -20.74 64.41 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.324 0.65 . . . . 65.13 111.648 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.45 53.03 3.19 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.883 -0.487 . . . . 64.2 111.883 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -124.45 163.08 22.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.56 0.744 . . . . 72.44 110.173 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.51 98.04 5.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.395 -1.335 . . . . 75.21 107.395 164.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.513 HG11 ' HG2' ' A' ' 94' ' ' LYS . 15.3 t -114.38 118.39 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 74.4 108.113 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -112.09 149.68 31.78 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.75 0.42 . . . . 72.31 110.562 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.98 146.61 24.47 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.114 0.966 . . . . 71.33 108.747 171.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 p -159.71 140.95 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 123.557 0.743 . . . . 74.51 110.146 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.0 p -125.12 -30.17 3.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.048 0.939 . . . . 75.33 110.54 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -90.92 148.1 22.68 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.494 0.718 . . . . 64.05 110.469 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.476 ' HB2' HD23 ' A' ' 14' ' ' LEU . 3.0 p-10 -72.31 -43.4 64.23 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.298 0.639 . . . . 75.12 111.697 -172.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 34.3 mt-10 -73.91 -36.24 64.7 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.38 -0.6 . . . . 74.12 109.38 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.33 -40.18 77.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.354 1.034 . . . . 75.12 110.395 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -56.94 -49.92 74.17 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 123.961 0.788 . . . . 65.43 110.748 175.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 58.0 mt -58.41 -44.78 89.18 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.274 0.984 . . . . 62.33 110.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 2.9 mmmp? -63.44 -42.7 98.66 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.919 0.888 . . . . 74.53 111.279 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.74 -32.9 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 123.506 0.504 . . . . 74.44 111.296 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 113' ' ' ALA . 45.4 t -63.68 -38.61 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 109.465 -0.569 . . . . 71.11 109.465 172.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 19.0 mtp180 -76.99 -18.78 57.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.349 0.66 . . . . 71.15 111.428 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -66.6 -54.74 20.25 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 108.477 -0.935 . . . . 74.34 108.477 164.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.417 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 21.8 m-30 -53.89 -47.33 71.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.514 1.126 . . . . 74.03 112.292 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.583 ' SD ' HG12 ' A' ' 22' ' ' VAL . 72.6 mtm -71.85 -39.18 69.89 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.072 0.858 . . . . 75.45 111.934 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.1 -43.84 94.13 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.37 0.605 . . . . 71.11 110.232 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.02 -41.77 63.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.722 -1.126 . . . . 74.32 110.197 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.86 79.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.341 0.656 . . . . 72.35 110.672 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.267 0 O-C-N 123.731 0.644 . . . . 72.12 111.808 176.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 108.25 -1.019 . . . . 74.05 108.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.41 HD12 ' HE1' ' A' ' 79' ' ' PHE . 39.6 mm -93.95 127.23 46.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 109.184 -0.673 . . . . 64.1 109.184 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.87 112.61 21.31 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.858 -0.793 . . . . 70.42 108.858 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.419 HD11 ' HB3' ' A' ' 120' ' ' PHE . 24.9 mm -88.4 107.27 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 107.779 -1.193 . . . . 74.23 107.779 175.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.644 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.33 132.81 38.55 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 107.428 -1.323 . . . . 74.33 107.428 -179.39 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 81' ' ' LEU . 64.4 mt -134.97 134.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.325 0.65 . . . . 75.23 109.73 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.438 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 2.5 t-20 -109.96 110.25 21.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -128.57 133.78 48.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.978 -1.119 . . . . 74.22 107.978 163.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -83.58 -5.27 59.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.119 0.968 . . . . 72.11 110.269 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -109.18 127.28 54.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.242 1.017 . . . . 74.21 110.558 -174.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.57 -27.49 69.28 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.283 1.033 . . . . 74.44 112.349 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.56 -45.07 94.61 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.869 0.73 . . . . 71.03 109.841 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 110' ' ' ASP . 4.5 mm? -72.73 -28.83 62.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.915 -0.564 . . . . 75.11 111.95 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 59' ' ' ASN . 55.8 mt -59.31 -54.03 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 175.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 20.7 ptmt -72.56 -31.97 65.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.299 -0.864 . . . . 75.13 112.102 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HE2' HD13 ' A' ' 114' ' ' LEU . 61.2 mtpt -69.83 -42.83 73.09 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.877 0.471 . . . . 75.42 111.108 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.73 -34.86 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.708 0.63 . . . . 74.41 109.957 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.2 mttt -58.3 -40.1 81.09 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.245 0.341 . . . . 62.25 111.265 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 1.3 mmmp? -72.89 -44.91 60.74 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.821 0.449 . . . . 74.25 110.468 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -49.73 -53.46 24.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.356 1.062 . . . . 73.54 112.372 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.582 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 m -84.81 -15.4 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.49 -0.777 . . . . 74.34 111.638 -171.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.42 -40.58 74.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.549 1.14 . . . . 64.2 110.2 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -67.49 -35.36 79.0 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.099 -0.955 . . . . 73.1 110.732 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.18 -0.54 56.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.388 0.675 . . . . 75.01 112.0 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.1 52.22 43.27 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.162 0.825 . . . . 62.21 115.162 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.3 m-85 -113.95 119.33 36.87 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.762 -0.829 . . . . 64.2 108.762 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.61 105.81 12.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.337 0.655 . . . . 74.42 109.773 -175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.11 139.37 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.007 0.432 . . . . 62.11 110.866 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -125.27 145.54 49.96 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 106.141 -1.8 . . . . 74.23 106.141 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -125.73 140.04 53.03 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 118.17 0.441 . . . . 74.24 109.815 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.9 t -131.61 125.26 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.304 1.042 . . . . 73.11 110.15 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -130.08 10.11 5.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.438 1.095 . . . . 73.05 111.247 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.97 147.38 28.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.79 0.436 . . . . 74.0 109.959 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 p -59.47 -32.99 70.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.823 1.249 . . . . 75.31 113.028 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.53 -42.92 86.48 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.17 0.588 . . . . 72.22 110.193 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.38 -41.82 90.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 123.907 0.754 . . . . 73.02 110.072 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.13 -51.13 71.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.405 1.082 . . . . 72.31 111.958 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.45 -33.55 76.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.532 0.733 . . . . 73.12 111.011 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -66.96 -39.19 87.18 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 115.271 -0.877 . . . . 71.22 110.932 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -71.44 -27.73 63.48 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.23 0.331 . . . . 62.23 111.294 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.602 ' HE3' ' SD ' ' A' ' 67' ' ' MET . 16.3 mmt -70.43 -28.3 64.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.469 0.308 . . . . 63.01 110.904 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.78 -51.66 46.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.229 -0.656 . . . . 73.31 109.229 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.687 ' HZ1' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.61 -48.49 77.36 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.281 1.033 . . . . 72.1 112.658 -176.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.37 -39.3 86.71 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.677 0.791 . . . . 73.33 110.941 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 123.687 0.795 . . . . 73.1 111.801 -178.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 109.709 -0.478 . . . . 74.13 109.709 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -108.85 132.39 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.901 -0.777 . . . . 74.41 108.901 -173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 HD12 HG13 ' A' ' 22' ' ' VAL . 8.3 tt -105.22 129.72 53.53 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.399 -1.334 . . . . 71.13 107.399 176.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.644 ' HB ' HD21 ' A' ' 6' ' ' LEU . 25.7 mm -117.11 127.29 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.623 -0.881 . . . . 74.12 108.623 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 HG23 HG12 ' A' ' 15' ' ' ILE . 66.0 mt -110.34 137.67 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.274 1.03 . . . . 74.34 108.283 173.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.5 t -136.89 122.31 19.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.995 -1.113 . . . . 74.21 107.995 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.515 HD22 HD13 ' A' ' 15' ' ' ILE . 1.9 m-20 -79.34 -9.78 59.67 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.12 0.568 . . . . 73.15 111.517 -178.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -113.91 130.21 56.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.855 -0.795 . . . . 72.3 108.855 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.21 -26.75 61.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.867 0.867 . . . . 72.05 112.669 -173.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -72.45 -41.89 65.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.908 -0.775 . . . . 74.31 108.908 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.93 -31.02 72.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.075 0.55 . . . . 75.02 110.462 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 80' ' ' LEU . 9.0 tt -65.19 -47.97 75.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.457 -0.338 . . . . 71.03 110.374 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.67 -50.35 74.21 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.174 0.59 . . . . 74.32 111.203 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.6 -47.27 76.77 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 123.955 0.784 . . . . 75.34 110.264 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.602 ' SD ' ' HE3' ' A' ' 42' ' ' MET . 44.6 tpp -52.06 -55.17 22.36 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.694 1.246 . . . . 74.11 110.512 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.23 -43.45 98.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.613 0.765 . . . . 72.45 112.328 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.79 -22.46 61.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.651 0.78 . . . . 73.22 111.005 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.31 -32.07 29.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.783 . . . . 74.0 111.541 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 67' ' ' MET . 91.2 mt -67.36 -27.99 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 109.371 -0.603 . . . . 73.53 109.371 173.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -60.83 -33.85 73.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.162 0.985 . . . . 74.14 110.981 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -73.84 -24.59 59.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.265 0.626 . . . . 74.4 111.036 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.06 -32.84 16.54 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.201 1.0 . . . . 75.4 111.572 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.48 1.64 Allowed Glycine 0 C--N 1.351 1.401 0 C-N-CA 123.231 0.443 . . . . 75.44 113.614 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -125.06 146.63 49.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.305 0.642 . . . . 74.2 110.357 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -79.93 108.72 13.73 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.934 -0.765 . . . . 73.33 108.934 173.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.6 137.54 24.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.123 -0.944 . . . . 72.32 110.534 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.41 ' HE1' HD12 ' A' ' 3' ' ' ILE . 77.4 m-85 -111.02 114.04 27.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.076 -1.453 . . . . 72.44 107.076 170.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 64' ' ' LEU . 38.5 tp -104.3 128.97 52.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.945 0.498 . . . . 74.24 110.867 -173.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' A' ' 7' ' ' ILE . 29.1 tp -115.99 112.62 22.08 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.469 1.107 . . . . 72.43 108.256 171.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -98.83 113.34 25.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.847 -0.797 . . . . 74.45 108.847 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.401 HE22 ' HG ' ' A' ' 14' ' ' LEU . 49.2 tt0 -102.57 116.9 33.53 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.504 -1.295 . . . . 74.24 107.504 171.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 23.4 t70 -157.0 127.53 6.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.526 -0.916 . . . . 72.22 108.526 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -78.45 -16.21 57.81 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.936 0.717 . . . . 74.55 112.936 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -97.11 91.33 5.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.533 -1.284 . . . . 65.1 107.533 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.8 mt-10 -65.3 -15.01 62.07 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.076 1.139 . . . . 75.41 114.076 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.66 -50.02 59.93 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.015 -0.735 . . . . 75.32 109.015 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.18 -45.45 76.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.509 -0.769 . . . . 65.42 109.594 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 41.4 tp -57.43 -43.04 83.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.584 -1.189 . . . . 74.52 111.859 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.94 -51.5 54.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.194 0.598 . . . . 74.25 110.584 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -45.77 88.08 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.358 1.036 . . . . 72.24 111.151 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.75 -37.38 86.21 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.881 -0.599 . . . . 74.5 110.744 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -63.08 -56.03 20.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.338 1.055 . . . . 75.22 110.522 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.89 -25.7 65.63 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.96 0.787 . . . . 73.15 112.545 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.87 -48.25 66.64 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.239 0.615 . . . . 74.24 110.506 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.42 -29.07 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.726 0.81 . . . . 72.55 110.991 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.61 -40.87 98.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.471 -1.307 . . . . 75.32 107.471 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -70.91 -24.22 62.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.277 -0.874 . . . . 71.13 111.856 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -77.01 -3.52 39.45 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.036 0.535 . . . . 75.41 111.409 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.39 47.07 3.11 Favored Glycine 0 C--N 1.351 1.377 0 C-N-CA 122.654 0.169 . . . . 65.24 113.12 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -132.34 144.07 50.3 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.546 0.739 . . . . 75.33 109.936 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.95 97.49 6.06 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.51 -0.922 . . . . 74.2 108.51 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.71 139.15 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.241 0.616 . . . . 71.55 110.709 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.491 ' HG2' HG21 ' A' ' 116' ' ' ILE . 13.7 tpt180 -124.06 150.12 45.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.611 1.164 . . . . 75.33 108.693 175.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.568 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 56.4 mtpt -98.03 159.58 14.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.644 0.778 . . . . 75.15 109.62 172.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -165.14 148.4 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.989 0.916 . . . . 73.35 109.33 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -118.17 -36.73 3.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.961 0.904 . . . . 75.51 110.499 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.4 139.04 40.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.281 0.632 . . . . 72.3 109.7 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 14' ' ' LEU . 4.0 p-10 -75.97 -33.37 59.77 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.505 0.503 . . . . 71.14 110.22 176.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.39 -42.55 96.07 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.895 0.747 . . . . 73.45 109.805 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 116' ' ' ILE . 31.1 tt0 -80.2 -31.22 38.71 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.944 -1.026 . . . . 75.51 110.02 -175.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -51.33 -47.67 62.63 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 123.566 0.746 . . . . 73.21 110.458 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.492 HD13 ' HE2' ' A' ' 17' ' ' LYS . 56.4 mt -61.7 -39.63 92.14 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.627 1.204 . . . . 73.23 110.611 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.9 mmpt? -71.77 -25.65 62.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.594 0.758 . . . . 73.43 111.587 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.491 HG21 ' HG2' ' A' ' 105' ' ' ARG . 26.9 mm -81.02 -30.22 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 N-CA-C 109.952 -0.388 . . . . 75.22 109.952 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 113' ' ' ALA . 39.6 t -61.88 -42.61 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.915 -0.402 . . . . 71.01 109.915 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 9.9 ptm180 -67.41 -25.44 65.94 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.389 0.431 . . . . 73.22 110.977 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.676 ' HB3' ' HZ1' ' A' ' 123' ' ' LYS . 39.5 mt-10 -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 123.345 0.403 . . . . 64.12 109.975 173.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.419 ' HB3' HD11 ' A' ' 5' ' ' ILE . 33.7 m-85 -59.57 -41.49 90.32 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.384 0.674 . . . . 73.13 112.114 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.432 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.8 mtm -67.48 -28.98 68.31 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.447 0.467 . . . . 72.14 111.409 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -78.14 -43.01 30.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.489 0.716 . . . . 71.14 111.477 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.676 ' HZ1' ' HB3' ' A' ' 119' ' ' GLU . 62.1 mttp -71.86 -42.68 66.59 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.242 1.017 . . . . 75.12 111.008 -174.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.79 64.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.813 0.845 . . . . 74.32 111.081 171.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.535 0 O-C-N 124.46 1.1 . . . . 74.33 113.241 178.545 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? . . . . . 0 C--O 1.242 0.671 0 N-CA-C 109.4 -0.593 . . . . 71.21 109.4 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -99.73 136.02 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 109.005 -0.739 . . . . 73.33 109.005 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.6 mt -107.54 117.73 34.86 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.269 0.628 . . . . 60.14 109.885 -170.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 120' ' ' PHE . 27.5 mm -94.81 104.0 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.708 -1.219 . . . . 62.14 107.708 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.621 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -90.87 129.48 36.91 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.832 -1.544 . . . . 74.1 106.832 -178.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.56 132.57 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.157 0.583 . . . . 74.14 110.085 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 58' ' ' SER . 5.4 t30 -120.69 113.59 20.44 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.803 -1.184 . . . . 65.13 107.803 171.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.495 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 4.5 t -125.63 145.58 50.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.023 0.529 . . . . 73.3 110.377 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -73.53 -26.03 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.465 0.706 . . . . 74.41 110.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -109.81 131.01 55.45 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.088 -0.96 . . . . 72.14 112.121 -166.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.7 -21.8 66.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.006 -0.997 . . . . 73.02 110.718 170.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.42 -42.51 92.44 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.194 0.598 . . . . 75.34 110.062 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.49 -28.37 60.97 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 119.396 -0.335 . . . . 74.04 111.321 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.0 mt -58.56 -59.97 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.328 -0.619 . . . . 71.51 109.328 171.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -63.59 -37.56 87.79 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 123.611 0.569 . . . . 75.54 111.971 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HE2' HD13 ' A' ' 114' ' ' LEU . 56.0 mtpt -70.68 -50.44 36.52 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 122.53 0.332 . . . . 74.14 111.875 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.12 -35.4 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 122.926 0.491 . . . . 63.23 110.69 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HG2' HG21 ' A' ' 29' ' ' VAL . 60.8 mtpt -61.87 -37.31 84.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.717 0.407 . . . . 74.21 111.725 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.49 -49.46 59.52 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.431 0.457 . . . . 75.11 110.364 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 23.9 mm-40 -45.66 -54.24 8.07 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.562 1.164 . . . . 72.01 110.971 176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.61 HG13 ' SD ' ' A' ' 121' ' ' MET . 10.2 m -84.13 -20.51 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 115.415 -0.811 . . . . 74.11 112.553 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -68.33 -39.28 81.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.9 0.381 . . . . 74.43 109.997 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.75 -21.63 65.26 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.528 -0.76 . . . . 74.04 110.704 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.3 mm-40 -96.53 -7.29 34.96 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.738 0.815 . . . . 73.41 111.452 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.48 73.75 0.87 Allowed Glycine 0 C--N 1.35 1.315 0 C-N-CA 122.875 0.274 . . . . 65.13 113.551 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -140.93 116.49 10.19 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.636 1.174 . . . . 74.3 108.604 174.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HB2' HD11 ' A' ' 54' ' ' ILE . 93.9 mt-30 -72.17 109.2 5.78 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.694 0.397 . . . . 74.33 110.434 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' HG2' ' A' ' 19' ' ' LYS . 57.3 t -78.59 137.38 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.835 0.454 . . . . 75.03 110.067 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HB2' HD12 ' A' ' 56' ' ' ILE . 24.6 mmt85 -122.31 111.48 16.95 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.356 -1.35 . . . . 74.23 107.356 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.83 117.35 29.69 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.209 -0.663 . . . . 70.45 109.209 -174.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -120.48 116.72 51.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 124.85 1.26 . . . . 71.34 108.519 -174.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -118.5 -4.66 10.81 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.983 0.913 . . . . 74.44 110.549 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -139.66 145.04 37.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.631 0.772 . . . . 65.13 110.775 -170.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.3 p -57.5 -42.48 82.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.906 1.282 . . . . 73.52 112.805 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.9 -28.0 63.21 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.939 0.495 . . . . 73.34 111.204 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 10.9 mm-40 -80.0 -26.8 39.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.288 0.635 . . . . 74.35 111.352 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.66 -44.64 93.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.719 . . . . 72.32 109.47 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.87 -28.64 64.34 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.933 -1.03 . . . . 74.32 111.422 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 40.9 mmtm -71.06 -60.6 2.14 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.208 0.603 . . . . 64.45 110.26 174.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -67.6 -28.54 67.84 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.701 1.001 . . . . 75.51 113.701 -164.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -36.0 82.35 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.782 0.433 . . . . 74.44 111.23 174.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.25 -38.4 75.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.877 0.471 . . . . 74.31 109.822 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -64.75 -36.47 84.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.133 0.573 . . . . 74.24 111.948 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -59.97 -29.85 68.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.102 0.561 . . . . 74.04 111.88 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 123.414 0.686 . . . . 72.5 111.432 179.701 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.365 -0.605 . . . . 64.21 109.365 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.439 HD11 ' HB2' ' A' ' 28' ' ' GLN . 37.4 mm -119.01 140.8 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.261 0.624 . . . . 75.43 110.275 -175.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 9.9 tt -109.24 128.4 55.03 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.375 -1.343 . . . . 74.35 107.375 167.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.621 ' HB ' HD22 ' A' ' 6' ' ' LEU . 11.1 mm -109.25 126.96 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.243 -1.021 . . . . 73.11 108.243 176.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.1 mt -102.41 121.15 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.708 -0.849 . . . . 75.55 108.708 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 46.3 t -113.64 130.45 56.39 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.665 -1.605 . . . . 71.45 106.665 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.34 6.75 47.73 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.234 0.47 . . . . 55.15 111.353 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.28 146.99 43.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.399 0.518 . . . . 71.3 112.399 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -68.8 -41.25 78.96 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.797 1.239 . . . . 74.14 111.81 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -67.08 -46.4 74.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.883 0.873 . . . . 53.53 109.252 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.77 -49.09 76.31 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.783 -1.099 . . . . 71.23 110.471 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.647 HD11 HD13 ' A' ' 80' ' ' LEU . 8.7 tt -55.57 -41.91 73.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.988 0.915 . . . . 74.35 111.813 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.34 -53.4 49.32 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.511 0.507 . . . . 75.45 110.895 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -47.74 69.36 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.169 0.918 . . . . 72.14 110.385 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.541 ' SD ' HD23 ' A' ' 6' ' ' LEU . 47.4 ttm -53.04 -51.98 59.98 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.212 1.805 . . . . 73.43 112.075 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.408 HD13 HD22 ' A' ' 80' ' ' LEU . 85.1 mt -64.79 -38.68 91.81 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.713 0.633 . . . . 72.51 111.962 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -70.38 -28.21 64.92 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.888 0.475 . . . . 72.43 111.14 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.65 -40.12 56.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.097 0.959 . . . . 72.13 110.673 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.79 -27.18 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.838 0.855 . . . . 74.3 110.666 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -64.13 -32.97 74.73 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.638 0.775 . . . . 63.3 110.1 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -73.62 -37.66 65.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.406 -0.816 . . . . 73.23 110.199 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.98 -29.07 68.01 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.508 0.723 . . . . 75.0 110.854 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.04 70.59 1.11 Allowed Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.977 -0.556 . . . . 52.31 113.753 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.16 158.23 36.09 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.48 0.712 . . . . 75.44 110.463 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.88 118.09 18.29 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.866 -0.79 . . . . 75.04 108.866 168.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 50.6 t -115.79 122.72 70.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.494 -0.776 . . . . 73.12 109.684 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -101.23 114.43 28.39 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.658 -1.608 . . . . 71.4 106.658 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.647 HD13 HD11 ' A' ' 64' ' ' LEU . 48.4 tp -101.52 132.91 46.9 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.07 0.548 . . . . 74.2 110.508 -175.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 116' ' ' ILE . 46.8 tp -118.09 113.84 22.2 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.156 0.982 . . . . 71.54 108.633 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.34 113.35 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.662 0.785 . . . . 75.43 109.625 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.495 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 53.4 tt0 -103.67 118.25 36.27 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.808 -0.812 . . . . 73.42 108.808 172.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -156.05 138.03 14.49 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.108 -0.701 . . . . 75.44 109.108 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -79.09 -22.7 44.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.258 0.623 . . . . 73.44 112.012 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -92.79 90.85 7.2 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.938 -1.134 . . . . 71.14 107.938 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.7 mt-10 -73.79 -16.79 61.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.876 1.065 . . . . 72.51 113.876 -165.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.04 -41.85 63.75 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.945 -0.761 . . . . 73.44 108.945 174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.08 -36.5 64.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.207 -0.906 . . . . 74.31 109.994 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.535 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 34.3 tp -62.18 -44.36 96.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.436 1.094 . . . . 75.01 110.794 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.6 -45.98 77.4 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.418 0.687 . . . . 64.34 110.761 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -56.03 -52.57 63.77 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 123.762 0.664 . . . . 72.31 111.849 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.24 -38.95 91.2 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.597 0.759 . . . . 72.23 110.766 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.74 -52.57 62.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.193 0.997 . . . . 75.15 111.008 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -69.12 -25.92 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.653 0.612 . . . . 72.41 112.653 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -46.25 90.95 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.025 0.441 . . . . 74.02 110.017 171.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -81.32 -29.28 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.29 1.036 . . . . 75.44 111.598 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.01 -41.57 99.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.789 0.835 . . . . 54.14 109.554 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -70.3 -27.64 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.874 -1.057 . . . . 73.0 111.014 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.51 -17.85 64.82 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.112 0.565 . . . . 74.41 111.521 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.3 42.45 1.75 Allowed Glycine 0 C--N 1.349 1.286 0 C-N-CA 122.878 0.275 . . . . 64.32 112.505 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -119.29 138.26 53.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.444 0.698 . . . . 72.22 109.881 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -82.18 92.94 6.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.307 -0.998 . . . . 75.25 108.307 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.01 123.76 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.994 0.518 . . . . 64.45 110.939 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -106.37 152.63 23.33 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.765 0.826 . . . . 63.35 109.294 167.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.452 ' HB3' HD22 ' A' ' 90' ' ' LEU . 38.3 mtmt -102.67 167.76 9.69 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.615 1.166 . . . . 75.25 109.361 174.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.68 153.35 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.651 0.781 . . . . 72.33 110.574 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.2 p -123.86 -29.5 3.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.232 1.013 . . . . 70.33 110.635 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.96 145.33 26.07 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.503 0.721 . . . . 74.12 111.76 -171.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -61.66 -51.9 66.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.101 1.36 . . . . 74.42 112.468 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.23 -37.89 72.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.979 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.69 -33.4 75.8 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.379 0.425 . . . . 74.2 110.788 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.88 -47.14 83.61 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.459 0.474 . . . . 72.14 110.996 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.409 HD13 ' HE2' ' A' ' 17' ' ' LYS . 52.0 mt -59.17 -39.58 82.94 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 124.054 0.846 . . . . 72.4 110.701 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 64.3 mttm -66.38 -44.97 81.65 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 114.745 -1.116 . . . . 74.54 110.696 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 81' ' ' LEU . 42.7 mm -66.98 -33.6 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 121.995 0.118 . . . . 74.12 110.908 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 113' ' ' ALA . 90.2 t -66.92 -44.35 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.807 0.443 . . . . 75.23 110.626 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -69.55 -25.95 64.26 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.441 -0.207 . . . . 74.33 110.441 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.571 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 32.0 mm-40 -65.58 -53.78 37.07 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.699 -0.482 . . . . 74.43 109.699 169.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.494 ' HB3' HD13 ' A' ' 5' ' ' ILE . 10.3 m-30 -56.03 -40.03 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.37 1.068 . . . . 75.51 113.128 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.61 ' SD ' HG13 ' A' ' 22' ' ' VAL . 78.1 mtm -70.48 -33.25 71.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.108 0.563 . . . . 64.3 112.006 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.55 -39.01 65.04 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.393 0.677 . . . . 74.53 110.704 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 62.6 mttm -68.34 -41.43 80.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.637 0.775 . . . . 75.34 109.77 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.21 -45.14 84.07 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.03 -0.986 . . . . 74.41 110.257 171.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.294 0 CA-C-N 115.021 -0.991 . . . . 61.34 113.13 -179.306 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.782 0.325 . . . . 74.42 110.743 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.412 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.2 mt -93.53 128.68 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.417 -0.957 . . . . 71.45 108.417 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' ' 78' ' ' VAL . 43.3 mt -111.41 135.24 52.25 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.855 -0.795 . . . . 75.4 108.855 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.54 103.36 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 107.319 -1.363 . . . . 64.01 107.319 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.594 HD22 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -88.49 115.15 25.8 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.005 -1.48 . . . . 63.43 107.005 -178.72 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.473 HD11 HD22 ' A' ' 55' ' ' LEU . 68.7 mt -116.89 132.31 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.924 -0.769 . . . . 55.21 108.924 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.474 ' HB2' HD13 ' A' ' 64' ' ' LEU . 2.0 t-20 -127.4 114.03 17.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.102 -1.073 . . . . 71.14 108.102 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -125.41 141.1 52.25 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.139 -1.06 . . . . 71.42 108.139 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -84.74 -15.62 44.47 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.753 0.787 . . . . 64.54 109.17 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.9 115.82 25.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 114.51 -1.223 . . . . 60.24 109.737 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.67 -40.72 93.13 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.65 0.78 . . . . 72.23 111.494 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.91 -29.91 70.41 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.912 -0.585 . . . . 74.24 110.978 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 110' ' ' ASP . 4.4 mm? -72.6 -26.11 61.57 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.202 -0.427 . . . . 74.43 111.802 175.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.501 HG21 HG23 ' A' ' 57' ' ' ILE . 59.3 mt -63.16 -56.71 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 N-CA-C 109.206 -0.665 . . . . 74.5 109.206 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 22.8 ptmt -62.36 -30.58 71.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.267 0.469 . . . . 72.21 112.267 -175.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 27.4 mtpp -68.06 -58.92 3.71 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.073 0.549 . . . . 75.44 111.126 173.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.1 -35.07 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.772 0.829 . . . . 74.0 111.565 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.0 mtmt -56.93 -43.46 81.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.84 0.456 . . . . 73.33 110.714 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.16 -51.55 37.11 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 122.689 0.396 . . . . 73.31 110.586 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 15.0 mm-40 -48.66 -54.9 12.92 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 124.56 1.162 . . . . 75.43 112.186 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 m -84.43 -25.95 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.193 -0.912 . . . . 74.44 112.229 -166.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.03 -36.35 84.11 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.554 -0.906 . . . . 73.14 108.554 174.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.3 -27.71 64.61 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.228 -0.896 . . . . 65.02 111.289 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 27.3 mm-40 -85.4 -0.15 53.95 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.02 0.528 . . . . 75.03 112.033 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.69 2.31 72.71 Favored Glycine 0 C--N 1.354 1.579 0 N-CA-C 114.701 0.64 . . . . 74.11 114.701 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -91.71 126.48 36.81 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.586 0.693 . . . . 74.52 109.685 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -76.11 112.26 12.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.486 0.714 . . . . 72.24 111.185 -170.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.25 119.62 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.091 0.87 . . . . 71.53 111.22 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -120.17 146.04 46.38 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.501 1.12 . . . . 73.55 108.468 170.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.19 118.77 22.94 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.474 -0.935 . . . . 74.12 108.474 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.92 115.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.714 -0.847 . . . . 74.31 108.714 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -127.19 13.0 7.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.692 0.797 . . . . 63.32 111.014 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.75 144.69 27.22 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.501 0.72 . . . . 73.4 110.837 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -41.79 98.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.286 1.034 . . . . 62.24 113.093 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -33.23 74.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.421 0.288 . . . . 74.15 111.259 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -63.56 -45.51 90.17 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.32 -0.622 . . . . 71.43 109.32 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.9 -59.88 4.4 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.316 1.046 . . . . 75.31 110.947 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 52.4 mtmt -56.25 -39.04 71.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.131 0.972 . . . . 75.3 111.819 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -63.37 -51.79 64.41 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.703 0.627 . . . . 74.03 111.382 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.2 pt-20 -79.69 -17.94 52.45 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 119.459 -0.305 . . . . 73.03 111.692 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.402 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 31.9 mmt -67.48 -42.82 82.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.925 0.49 . . . . 73.05 109.935 170.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.7 mmtp -61.54 -43.94 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.435 -0.802 . . . . 72.54 110.103 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -59.62 -40.09 86.41 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.282 0.989 . . . . 72.34 112.229 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 90.9 mt -50.7 -44.0 57.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.609 0.568 . . . . 75.3 111.029 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 CA--C 1.549 0.927 0 CA-C-N 114.905 -1.043 . . . . 73.13 112.625 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 9.2 mptt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.983 0.42 . . . . 75.12 109.884 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.88 113.97 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.396 -0.82 . . . . 72.4 109.084 -172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 7' ' ' ILE . 7.7 tt -91.49 123.5 34.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.727 -0.842 . . . . 75.31 108.727 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.601 HG21 ' SD ' ' A' ' 67' ' ' MET . 30.2 mm -100.73 140.46 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 108.633 -0.877 . . . . 75.3 108.633 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.501 HG23 HG21 ' A' ' 15' ' ' ILE . 67.8 mt -120.56 122.34 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.64 -1.244 . . . . 74.13 107.64 167.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -131.83 137.94 48.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.885 -1.154 . . . . 72.53 107.885 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.19 -26.11 21.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.966 0.906 . . . . 71.14 109.365 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -95.15 133.89 38.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.322 -0.854 . . . . 63.34 110.457 -168.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.18 -37.77 66.41 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.363 -0.835 . . . . 75.23 111.497 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.3 -45.78 83.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.711 0.804 . . . . 72.1 110.467 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.3 -46.66 89.39 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.824 0.702 . . . . 75.12 110.499 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 80' ' ' LEU . 8.5 tt -52.39 -47.18 66.37 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.798 0.686 . . . . 75.1 111.389 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -59.66 -53.74 54.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.818 0.847 . . . . 75.23 111.771 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.36 -42.07 94.98 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.855 0.722 . . . . 72.44 110.915 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.601 ' SD ' HG21 ' A' ' 56' ' ' ILE . 40.0 ttm -56.97 -55.52 33.59 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 124.732 1.27 . . . . 72.21 111.103 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.26 -37.38 87.27 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.928 0.768 . . . . 74.32 112.379 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 51.1 mt-10 -70.91 -34.4 71.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.063 0.145 . . . . 73.1 110.983 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.99 -41.78 81.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.119 0.568 . . . . 70.25 110.745 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 78' ' ' VAL . 97.7 mt -66.67 -30.14 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 123.723 0.809 . . . . 75.25 110.365 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 t -65.84 -37.84 87.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.485 0.714 . . . . 74.4 110.542 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 25.7 mmmt -77.6 -12.76 60.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.83 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD22 ' HB3' ' A' ' 46' ' ' ALA . 90.1 mt -92.42 -36.02 13.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.831 0.852 . . . . 64.52 110.697 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.53 82.01 0.84 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.803 -0.635 . . . . 74.33 113.601 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.463 ' HD2' HG21 ' A' ' 71' ' ' ILE . 58.8 m-85 -133.4 153.12 51.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.609 0.763 . . . . 73.12 110.365 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.02 104.87 10.88 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.072 -0.714 . . . . 75.41 109.072 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 4' ' ' LEU . 22.1 t -114.11 131.09 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 122.706 0.402 . . . . 72.21 110.759 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -101.47 115.73 31.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.21 -1.034 . . . . 74.2 108.21 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 64' ' ' LEU . 46.4 tp -98.67 134.46 41.56 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.084 0.469 . . . . 63.21 110.896 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 27.9 tp -122.11 125.86 47.12 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.883 0.873 . . . . 73.32 108.65 171.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.11 116.34 31.36 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.55 -0.908 . . . . 74.32 108.55 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.71 104.17 15.45 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 73.54 108.012 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 9.7 m-20 -137.0 117.87 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.621 -1.622 . . . . 63.05 106.621 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -70.27 -19.33 63.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.188 0.595 . . . . 73.42 110.454 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -94.55 113.73 25.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.339 -0.985 . . . . 72.12 108.339 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 33.5 mt-10 -75.93 -7.32 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.217 0.451 . . . . 73.34 112.217 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -68.88 -48.98 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.975 -0.75 . . . . 55.32 108.975 168.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.92 -37.14 62.13 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.653 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 16.1 tp -63.69 -54.36 36.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.708 1.203 . . . . 74.23 110.788 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.78 -50.52 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.668 0.605 . . . . 75.31 112.337 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 22.5 mm-40 -53.94 -52.79 59.5 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.627 0.579 . . . . 72.55 111.815 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 96' ' ' LYS . 30.9 t80 -71.38 -29.01 64.44 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.266 0.626 . . . . 75.42 111.121 -175.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -64.45 -58.86 5.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.398 0.679 . . . . 73.41 110.854 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -64.34 -23.35 67.26 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.93 -1.032 . . . . 74.55 112.943 -170.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.5 mttm -59.46 -54.39 47.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.748 0.785 . . . . 72.25 110.702 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mt -86.12 -16.68 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.414 1.086 . . . . 73.22 110.972 -171.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.88 -38.19 75.34 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.453 1.101 . . . . 73.42 110.134 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -72.44 -26.05 61.69 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.028 -0.987 . . . . 54.43 111.27 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -76.08 8.11 3.53 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.052 0.76 . . . . 72.21 113.052 -176.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.68 -6.84 82.82 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 113.883 0.313 . . . . 75.44 113.883 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.47 134.5 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.512 0.725 . . . . 74.42 109.895 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.74 95.31 1.11 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.078 -0.712 . . . . 74.41 109.078 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.27 110.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 108.948 -0.76 . . . . 70.12 108.948 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -108.36 154.26 22.1 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.048 0.452 . . . . 73.52 110.373 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -95.12 157.29 15.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.48 1.112 . . . . 75.43 110.939 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.3 p -168.16 139.65 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 124.338 1.024 . . . . 75.33 109.605 161.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 p -107.98 -33.01 7.33 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.729 0.811 . . . . 72.05 110.218 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.61 146.21 28.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.56 0.744 . . . . 75.12 111.998 -174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB3' HD22 ' A' ' 14' ' ' LEU . 19.0 m-20 -72.02 -51.56 21.2 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.476 -1.238 . . . . 74.14 111.137 -176.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.2 -34.86 75.54 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.02 -0.991 . . . . 75.22 110.494 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' O ' HG12 ' A' ' 116' ' ' ILE . 34.9 tt0 -73.46 -31.63 63.89 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.973 -0.537 . . . . 71.23 110.866 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.511 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -50.18 -43.15 52.26 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.297 0.373 . . . . 63.11 111.125 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.72 -42.34 98.82 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.267 1.027 . . . . 73.41 111.025 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.2 -31.41 71.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.252 1.021 . . . . 74.51 111.228 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 112' ' ' GLU . 23.1 mm -78.12 -36.81 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.755 -0.461 . . . . 73.2 109.755 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 113' ' ' ALA . 82.0 t -57.68 -41.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 122.995 0.518 . . . . 72.4 109.738 172.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -58.18 -39.7 79.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.196 -0.911 . . . . 72.12 111.49 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 76.9 mm-40 -62.59 -47.01 85.67 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.557 0.535 . . . . 74.24 110.703 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.455 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.3 m-85 -61.37 -42.66 99.07 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.33 0.652 . . . . 73.12 112.697 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.422 ' HE3' HG12 ' A' ' 117' ' ' VAL . 72.3 mtm -70.02 -27.83 64.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.383 0.673 . . . . 74.33 111.254 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -74.88 -36.57 62.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 64.33 110.962 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 93.9 mttt -71.99 -41.04 68.1 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.339 0.656 . . . . 74.43 109.566 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.76 88.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.64 0.776 . . . . 75.34 109.924 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.595 0 O-C-N 124.172 0.92 . . . . 74.21 112.695 176.717 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttm . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.447 -0.575 . . . . 74.41 109.447 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.4 mt -103.51 121.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.949 -1.13 . . . . 74.13 107.949 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.8 mt -106.41 107.54 18.6 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.209 -0.663 . . . . 75.45 109.209 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 120' ' ' PHE . 29.4 mm -83.93 103.28 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.424 -1.325 . . . . 75.33 107.424 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.584 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.01 134.2 35.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.663 -1.606 . . . . 75.13 106.663 -176.398 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.454 HD12 HD23 ' A' ' 55' ' ' LEU . 68.4 mt -135.7 125.42 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 109.566 -0.531 . . . . 73.51 109.566 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.3 t-20 -108.04 111.84 24.1 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.407 -0.96 . . . . 72.32 108.407 169.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 t -127.51 138.11 52.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.985 -1.117 . . . . 75.44 107.985 166.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -88.07 -9.69 52.51 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.122 0.487 . . . . 71.34 109.739 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.6 112.37 22.23 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.169 0.988 . . . . 74.34 109.576 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.1 m-20 -56.69 -34.6 67.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.284 1.034 . . . . 74.14 111.577 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.61 -47.89 81.8 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.803 -0.635 . . . . 64.53 110.305 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.46 -29.34 69.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.236 -0.411 . . . . 74.33 111.353 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG22 HG21 ' A' ' 57' ' ' ILE . 73.1 mt -60.78 -59.6 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.978 -0.379 . . . . 62.5 109.978 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -64.1 -34.84 78.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.414 0.686 . . . . 74.34 112.158 -175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 29.5 mtpp -69.13 -51.55 37.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.474 0.71 . . . . 73.11 110.837 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.93 -39.17 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 O-C-N 123.969 0.793 . . . . 74.11 110.522 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG13 ' A' ' 29' ' ' VAL . 92.9 mttt -51.26 -44.63 61.81 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.608 0.567 . . . . 74.43 111.331 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.4 mmmm -81.49 -46.3 14.73 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.798 -0.637 . . . . 74.11 111.742 -173.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 17.0 mm-40 -52.14 -49.95 62.72 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.599 0.76 . . . . 75.34 112.151 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 HG21 HD12 ' A' ' 55' ' ' LEU . 5.5 m -82.47 -21.09 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.964 0.727 . . . . 73.14 112.964 -167.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -75.09 -16.27 60.57 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 122.852 0.095 . . . . 72.32 111.105 178.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -32.4 73.82 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.569 0.543 . . . . 64.21 110.484 169.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -91.64 3.92 53.92 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.802 0.841 . . . . 75.34 111.877 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.36 39.52 56.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.173 0.429 . . . . 75.23 114.173 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.55 113.63 26.8 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.745 0.818 . . . . 73.11 109.076 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.6 109.5 4.34 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 124.05 0.844 . . . . 71.21 109.372 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 19' ' ' LYS . 5.2 t -82.82 121.23 35.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.491 -0.777 . . . . 73.43 109.712 -174.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HB2' HD12 ' A' ' 56' ' ' ILE . 2.6 mmp_? -126.85 114.52 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.641 1.176 . . . . 74.05 107.901 176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -105.47 138.13 42.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.399 -0.593 . . . . 74.53 109.399 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.572 HG13 HD13 ' A' ' 63' ' ' LEU . 87.8 t -119.93 116.42 50.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.901 -1.148 . . . . 73.13 107.901 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -101.66 -19.94 15.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.81 0.844 . . . . 74.32 110.0 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -147.67 154.74 40.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.905 0.482 . . . . 75.3 111.036 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 28.3 m -54.47 -33.58 59.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.115 1.366 . . . . 71.14 113.186 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 17.5 t70 -57.35 -47.36 81.81 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.425 0.69 . . . . 71.5 110.239 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.39 -41.82 88.78 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 114.485 -1.234 . . . . 71.43 110.615 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.05 -47.24 68.58 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.068 0.855 . . . . 72.43 111.204 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' SER . 29.1 mtpp -62.81 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.959 0.787 . . . . 72.02 110.513 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 46.2 mmtm -61.5 -47.68 84.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.63 0.772 . . . . 75.41 110.84 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -64.63 -41.07 96.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.099 0.96 . . . . 75.12 111.208 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.503 ' HE3' ' SD ' ' A' ' 67' ' ' MET . 9.3 mmt -65.9 -32.82 74.55 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.433 0.693 . . . . 72.55 112.589 -176.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mmtp -66.13 -38.75 88.92 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 123.515 0.509 . . . . 75.21 110.372 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -33.32 74.36 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.718 0.807 . . . . 74.42 110.857 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.01 -35.23 50.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.731 0.812 . . . . 74.34 110.52 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 124.076 0.95 . . . . 74.14 111.51 178.079 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.698 0 N-CA-C 107.484 -1.302 . . . . 74.13 107.484 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 36.7 mm -96.7 132.48 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.79 -0.818 . . . . 73.2 108.79 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 22' ' ' VAL . 8.1 tt -105.17 117.29 33.62 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.216 -1.031 . . . . 75.23 108.216 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.584 ' HB ' HD21 ' A' ' 6' ' ' LEU . 30.2 mm -102.34 112.54 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.989 -0.745 . . . . 75.24 108.989 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG22 ' A' ' 15' ' ' ILE . 62.8 mt -89.24 133.47 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 107.948 -1.13 . . . . 73.1 107.948 170.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -133.79 118.62 18.24 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 107.921 -1.141 . . . . 54.0 107.921 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -83.17 -22.16 33.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.953 0.501 . . . . 64.53 111.924 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HB3' HD11 ' A' ' 63' ' ' LEU . 21.8 t70 -105.59 141.07 37.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.862 0.865 . . . . 73.43 109.264 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -78.06 -31.22 50.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.564 0.746 . . . . 75.44 111.894 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -69.46 -36.74 76.87 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.959 -0.756 . . . . 74.23 108.959 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.572 HD13 HG13 ' A' ' 32' ' ' VAL . 79.2 mt -58.89 -41.45 87.22 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 123.557 0.743 . . . . 75.25 110.968 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 HD21 ' CZ ' ' A' ' 93' ' ' PHE . 8.0 tt -61.08 -47.58 85.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.693 0.621 . . . . 74.12 110.596 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.59 -52.02 66.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.592 0.557 . . . . 75.14 110.975 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.53 -46.71 70.25 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.286 0.991 . . . . 74.13 110.458 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.525 ' HG2' HD22 ' A' ' 6' ' ' LEU . 33.9 tpp -55.2 -56.36 20.81 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.525 1.141 . . . . 73.23 110.549 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 71' ' ' ILE . 74.6 mt -64.15 -35.26 80.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.757 0.823 . . . . 74.03 112.473 -173.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 43.3 mt-10 -67.08 -40.4 86.98 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.621 0.575 . . . . 64.31 110.563 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD13 ' HG3' ' A' ' 42' ' ' MET . 82.8 mt -68.61 -32.34 72.14 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.418 0.687 . . . . 71.52 111.093 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 68' ' ' LEU . 77.2 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.106 0.563 . . . . 63.34 110.013 175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -62.0 -33.83 75.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.855 0.462 . . . . 71.42 110.235 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 75.1 mmtt -68.08 -40.42 82.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.553 . . . . 73.32 110.692 175.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.74 -74.65 0.21 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 74.53 110.058 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.15 69.11 0.19 Allowed Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.909 -0.477 . . . . 62.3 111.909 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -126.86 148.91 49.97 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.91 0.484 . . . . 75.2 111.649 -176.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.831 0.852 . . . . 71.22 110.469 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 84.5 t -102.36 128.44 55.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.143 -0.48 . . . . 74.31 110.58 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.429 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 19.5 m-85 -114.79 114.59 25.77 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 106.293 -1.743 . . . . 73.23 106.293 170.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 6' ' ' LEU . 41.8 tp -107.14 132.49 52.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.694 0.798 . . . . 74.04 111.657 -168.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 35.9 tp -108.29 123.02 48.15 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.792 0.837 . . . . 72.13 109.098 166.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.645 ' HB3' HD11 ' A' ' 90' ' ' LEU . 87.6 mt -106.11 113.34 26.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 123.825 0.85 . . . . 73.03 109.265 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -113.09 112.77 24.4 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.407 0.683 . . . . 74.42 109.2 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -155.94 143.2 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.522 -0.918 . . . . 71.41 108.522 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.79 -32.55 65.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.804 0.841 . . . . 73.15 111.762 -174.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.34 98.5 8.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.222 -0.658 . . . . 65.33 109.222 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -68.52 -38.39 80.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.059 0.544 . . . . 73.03 110.932 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.5 -48.19 76.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.598 0.759 . . . . 75.42 110.89 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.9 -34.97 77.68 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.793 -0.639 . . . . 74.53 110.17 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 82' ' ' LEU . 22.8 tp -70.82 -32.02 68.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.154 -0.93 . . . . 73.52 111.061 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 14.5 tp10 -56.78 -52.26 65.71 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.929 0.768 . . . . 73.43 110.09 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.24 -56.43 20.02 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.458 1.099 . . . . 75.12 110.829 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CZ ' HD21 ' A' ' 64' ' ' LEU . 27.4 t80 -53.4 -44.7 68.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.633 1.173 . . . . 74.41 111.308 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -65.99 -40.66 91.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.188 -0.915 . . . . 74.42 111.063 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 13.7 mtp180 -62.09 -36.86 82.99 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.671 0.607 . . . . 74.45 111.766 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.06 -51.26 70.8 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.359 0.599 . . . . 74.51 110.066 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.8 mt -68.87 -26.36 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 114.687 -1.142 . . . . 75.31 111.828 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.01 -28.09 69.56 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.099 0.96 . . . . 71.41 111.078 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -74.29 -24.41 59.24 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.703 0.801 . . . . 61.04 112.097 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.19 -15.85 59.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.142 0.577 . . . . 71.14 112.159 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.91 57.77 2.97 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.838 0.132 . . . . 64.21 113.39 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.81 158.51 28.71 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.013 0.925 . . . . 74.45 109.254 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 92.5 7.66 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.224 -1.399 . . . . 65.32 107.224 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 94' ' ' LYS . 31.6 t -105.78 113.34 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.559 -0.746 . . . . 73.41 109.339 -170.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -108.47 137.11 46.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.151 0.58 . . . . 73.12 109.588 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 8.6 mtpm? -97.12 149.51 21.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.798 0.839 . . . . 75.23 109.174 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.77 153.97 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.57 0.748 . . . . 75.43 109.92 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -117.51 -30.77 5.43 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 62.2 110.556 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 152.96 21.24 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 112.664 0.616 . . . . 73.53 112.664 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -55.57 7.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.446 1.498 . . . . 71.14 111.53 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.35 -43.62 90.31 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.206 -0.906 . . . . 74.05 109.42 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.5 mm-40 -61.63 -42.68 99.23 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.185 -0.916 . . . . 71.22 111.212 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.482 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -50.9 -52.2 44.29 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.177 0.923 . . . . 72.45 111.246 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.426 HD12 ' HE3' ' A' ' 17' ' ' LYS . 54.7 mt -59.44 -36.35 75.76 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 124.025 0.828 . . . . 75.44 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 95.8 mttt -70.54 -29.74 66.29 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.48 -0.782 . . . . 75.32 111.816 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 21.3 mm -77.28 -34.23 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 N-CA-C 109.374 -0.602 . . . . 75.11 109.374 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 113' ' ' ALA . 25.6 t -62.46 -43.08 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.93 0.492 . . . . 73.43 110.62 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 34.0 ptt180 -64.82 -25.51 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.365 0.415 . . . . 70.24 111.157 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 51.6 mm-40 -72.68 -41.31 65.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 122.842 0.457 . . . . 74.23 110.022 174.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 5' ' ' ILE . 30.7 m-85 -60.78 -43.73 97.7 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.231 0.613 . . . . 74.51 111.245 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.439 ' SD ' ' HB ' ' A' ' 22' ' ' VAL . 77.0 mtm -69.46 -25.06 63.9 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.611 0.764 . . . . 74.23 111.83 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.04 -40.71 68.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.057 0.543 . . . . 63.22 110.743 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.7 mttm -66.23 -52.12 50.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.724 0.81 . . . . 73.24 110.206 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.45 -34.12 75.4 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.487 -1.233 . . . . 75.23 110.856 -176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.155 0 CA-C-N 115.253 -0.885 . . . . 61.53 112.894 174.016 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.675 -0.491 . . . . 73.22 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.6 mt -110.6 119.08 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.762 -0.829 . . . . 75.43 108.762 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB2' HG23 ' A' ' 78' ' ' VAL . 58.4 mt -105.06 142.13 35.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.162 -1.051 . . . . 75.2 108.162 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.435 HD13 ' HB3' ' A' ' 120' ' ' PHE . 22.3 mm -114.12 102.66 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 106.946 -1.502 . . . . 71.44 106.946 172.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.634 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.37 127.93 37.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.462 -1.681 . . . . 73.43 106.462 -176.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.69 127.76 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.957 0.503 . . . . 73.14 109.689 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 58' ' ' SER . 25.2 t-20 -115.85 116.4 27.93 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.164 -1.05 . . . . 73.44 108.164 171.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -125.53 144.08 50.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.064 0.546 . . . . 71.21 109.746 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.19 -25.5 60.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.999 0.92 . . . . 71.24 110.6 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' A' ' 14' ' ' LEU . 75.6 m-20 -106.48 128.64 54.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.929 0.891 . . . . 75.12 111.42 -169.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.17 -19.58 65.6 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.491 1.117 . . . . 70.23 112.045 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.46 -51.06 70.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.454 0.702 . . . . 75.23 109.869 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -64.36 -36.36 83.88 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.309 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 57' ' ' ILE . 55.0 mt -52.42 -59.58 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.161 0.584 . . . . 72.24 110.683 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.53 -32.22 69.59 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.533 -0.758 . . . . 72.41 112.398 -172.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HE2' HD12 ' A' ' 114' ' ' LEU . 59.8 mtpt -74.84 -37.9 62.14 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.294 0.638 . . . . 74.42 112.063 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 117' ' ' VAL . 77.5 mt -62.87 -38.21 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.222 0.609 . . . . 61.24 110.264 173.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' HG12 ' A' ' 29' ' ' VAL . 98.6 mttt -53.78 -48.7 69.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.688 0.618 . . . . 75.3 111.048 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -64.66 -49.9 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.499 0.499 . . . . 73.45 110.612 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -44.38 -51.12 8.85 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.623 1.169 . . . . 53.24 112.649 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.634 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.4 m -88.56 -21.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.023 0.749 . . . . 75.45 113.023 -169.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -63.66 -35.49 80.72 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.178 0.513 . . . . 73.45 109.942 170.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -69.87 -14.36 62.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.161 -0.927 . . . . 73.04 111.572 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 21.6 mm-40 -110.73 4.76 20.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.248 1.019 . . . . 75.42 111.804 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.57 40.43 98.68 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 114.551 0.58 . . . . 63.42 114.551 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.6 m-85 -99.98 131.83 45.71 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.93 0.892 . . . . 75.21 109.316 173.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HB2' HD12 ' A' ' 54' ' ' ILE . 1.9 mp0 -77.7 105.91 9.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.319 1.047 . . . . 73.1 108.896 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' HG2' ' A' ' 19' ' ' LYS . 20.8 t -82.02 131.64 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.506 0.722 . . . . 75.21 111.737 -170.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.518 ' NH1' ' HB2' ' A' ' 41' ' ' GLU . 96.8 mtt180 -126.36 156.03 41.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.333 1.053 . . . . 75.33 109.725 165.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.86 125.28 17.66 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.165 -1.05 . . . . 74.44 108.165 166.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG12 ' HB2' ' A' ' 38' ' ' LEU . 60.8 t -104.2 115.23 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.958 0.903 . . . . 75.31 108.573 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.68 -8.94 17.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.347 0.659 . . . . 71.52 110.906 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.95 146.02 30.88 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.291 0.567 . . . . 73.31 111.769 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -58.1 -30.56 66.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.642 1.177 . . . . 61.41 112.758 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.08 -45.59 86.88 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.338 0.655 . . . . 74.13 110.908 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -69.18 -42.19 76.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.365 -0.834 . . . . 72.22 109.412 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' HB2' HG12 ' A' ' 32' ' ' VAL . 5.7 tt -55.71 -50.4 70.42 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.138 1.375 . . . . 75.34 112.628 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.562 -0.744 . . . . 74.43 111.459 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 32.2 mmmt -69.78 -55.29 10.26 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.817 0.698 . . . . 75.24 110.444 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 10.6 pt-20 -68.79 -30.83 69.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.193 0.812 . . . . 75.53 113.193 -161.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 45' ' ' LEU . 11.2 mmt -68.98 -38.0 79.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 75.23 111.444 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.79 -33.24 70.54 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.37 -0.377 . . . . 73.43 109.998 175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.8 mmmm -64.68 -37.01 86.11 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.833 -0.621 . . . . 74.45 110.583 176.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 HD13 ' SD ' ' A' ' 42' ' ' MET . 82.4 mt -57.92 -37.12 73.49 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.471 0.708 . . . . 65.44 112.085 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.871 0 CA-C-N 115.272 -0.876 . . . . 75.44 111.448 175.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG3' ' HB ' ' A' ' 3' ' ' ILE . 1.5 mppt? . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 108.16 -1.052 . . . . 74.32 108.16 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 28' ' ' GLN . 21.3 mm -101.17 112.33 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.527 -1.286 . . . . 74.42 107.527 -176.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -93.17 126.7 38.41 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.244 -1.021 . . . . 75.5 108.244 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.634 ' HB ' HD23 ' A' ' 6' ' ' LEU . 17.9 mm -110.75 112.27 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 108.997 -0.742 . . . . 75.03 108.997 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 15' ' ' ILE . 59.7 mt -92.42 127.59 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.236 -1.024 . . . . 74.04 108.236 169.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.8 t -135.86 116.5 13.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.614 -1.254 . . . . 73.31 107.614 173.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.16 -20.44 62.29 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.652 0.781 . . . . 71.44 110.898 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.26 134.89 49.68 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.978 0.911 . . . . 74.45 110.518 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 60.9 mttp -78.46 -25.54 45.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.301 0.641 . . . . 75.24 112.25 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 34.2 tt0 -65.75 -46.23 79.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.329 -0.619 . . . . 74.25 109.329 177.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.06 -41.96 84.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.491 0.716 . . . . 73.41 110.728 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD13 HD12 ' A' ' 80' ' ' LEU . 6.6 tt -58.63 -38.7 78.64 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.954 0.502 . . . . 74.04 111.316 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 58.7 mtpt -66.49 -48.87 68.46 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.097 0.559 . . . . 75.44 111.028 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 10.8 mm-40 -54.81 -44.56 73.91 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.135 0.897 . . . . 72.31 109.968 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.551 ' HG2' HD21 ' A' ' 6' ' ' LEU . 48.0 tpp -61.22 -47.57 85.48 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.637 -1.62 . . . . 61.23 111.685 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.486 HD21 HD13 ' A' ' 71' ' ' ILE . 97.3 mt -66.21 -36.16 82.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.319 0.648 . . . . 73.54 111.238 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 42.2 mt-10 -67.26 -34.14 76.81 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.795 -0.639 . . . . 74.43 110.387 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.71 -37.87 79.83 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.711 0.404 . . . . 63.42 110.819 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 78' ' ' VAL . 98.7 mt -65.32 -32.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.425 0.69 . . . . 63.23 110.009 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -67.4 -23.21 65.54 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.66 0.784 . . . . 75.41 111.468 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.4 mmmm -83.8 -30.91 26.19 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.466 0.706 . . . . 73.41 111.235 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -94.06 -60.67 1.69 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.385 0.674 . . . . 65.44 110.569 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.14 84.98 1.72 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.548 -0.751 . . . . 65.34 111.575 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -131.44 152.75 50.4 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.655 0.782 . . . . 75.14 110.927 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -76.26 94.07 3.5 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.873 -0.788 . . . . 75.45 108.873 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 71' ' ' ILE . 85.2 t -102.43 126.86 56.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 123.646 0.779 . . . . 74.25 110.995 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.42 114.58 28.97 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.24 -1.392 . . . . 74.14 107.24 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 HD12 HD13 ' A' ' 64' ' ' LEU . 37.8 tp -102.1 124.33 47.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.161 0.584 . . . . 74.13 111.377 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.8 tp -106.35 122.03 45.42 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.729 -0.841 . . . . 74.23 108.729 168.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' A' ' 90' ' ' LEU . 86.7 mt -106.94 112.78 25.89 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.073 0.949 . . . . 73.34 109.075 172.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -109.28 117.83 35.1 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.219 -1.4 . . . . 73.3 107.219 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.546 ' HB3' HD23 ' A' ' 90' ' ' LEU . 23.0 t70 -154.61 153.74 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.374 -0.602 . . . . 73.35 109.374 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.4 -19.98 25.86 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.33 0.652 . . . . 74.52 111.278 -172.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -109.1 85.44 2.1 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.93 . . . . 74.43 108.772 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.582 ' HB3' ' HZ1' ' A' ' 106' ' ' LYS . 27.1 mt-10 -81.69 -12.02 58.82 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.638 1.347 . . . . 65.31 114.638 -168.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -71.68 -43.38 66.1 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 108.932 -0.766 . . . . 75.53 108.932 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.37 -39.08 74.8 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.879 -1.055 . . . . 75.35 109.545 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -63.48 -37.18 86.3 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.117 -0.947 . . . . 75.0 112.055 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 7.3 tt0 -72.18 -37.15 69.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.671 0.388 . . . . 73.41 111.254 -176.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.497 ' HA ' ' HE ' ' A' ' 95' ' ' ARG . 16.8 mm-40 -64.22 -31.93 73.32 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 75.23 111.563 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -79.52 -36.89 37.79 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.133 0.973 . . . . 72.34 110.824 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 22.8 ttpp -61.92 -55.71 26.8 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.936 0.895 . . . . 75.52 111.489 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 43.6 ptt85 -57.34 -24.12 53.19 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.405 1.066 . . . . 74.3 112.703 -170.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.4 -51.37 37.21 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.298 1.039 . . . . 73.1 110.788 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.0 mt -67.23 -39.06 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.798 1.239 . . . . 64.24 110.752 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.24 -29.72 67.71 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.132 -1.395 . . . . 72.24 110.942 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -74.14 -19.44 60.57 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.437 0.695 . . . . 73.12 110.917 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -86.26 0.3 54.12 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.81 0.844 . . . . 74.45 111.983 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.67 54.47 2.93 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.842 0.135 . . . . 71.32 113.189 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -123.11 142.82 50.47 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.53 -0.915 . . . . 73.41 108.53 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.96 92.08 4.9 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.734 -0.839 . . . . 75.12 108.734 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 20.2 t -106.18 131.05 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.466 0.706 . . . . 74.23 110.165 -174.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -126.76 148.47 49.9 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.979 0.912 . . . . 75.23 110.001 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.582 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 10.0 mtpm? -112.35 148.93 33.22 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.716 0.806 . . . . 74.25 110.555 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.99 145.63 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.183 0.593 . . . . 74.22 111.343 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 p -106.76 -35.84 6.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.948 0.899 . . . . 74.33 110.568 170.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.79 142.08 35.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.402 0.681 . . . . 71.4 110.585 -168.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -70.9 -41.11 71.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.273 0.629 . . . . 71.43 111.565 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 66.3 mm-40 -64.01 -49.33 72.86 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.792 0.437 . . . . 73.33 110.224 176.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.8 tp10 -64.63 -34.22 77.78 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.988 0.805 . . . . 74.34 111.704 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.06 -48.37 78.72 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.984 0.514 . . . . 75.1 110.562 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.453 HD12 ' HE2' ' A' ' 17' ' ' LYS . 64.6 mt -60.92 -37.44 82.3 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.172 0.92 . . . . 72.54 110.759 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 33.0 mmtp -64.05 -42.09 97.15 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.445 0.698 . . . . 70.24 110.858 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.1 mm -70.17 -30.1 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.676 0.61 . . . . 73.53 111.111 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.0 t -63.95 -43.1 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.677 -0.49 . . . . 71.3 109.677 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -65.36 -31.34 72.4 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.637 0.775 . . . . 75.32 111.223 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 35.0 mm-40 -66.59 -47.91 71.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.22 0.608 . . . . 75.05 110.165 174.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.435 ' HB3' HD13 ' A' ' 5' ' ' ILE . 20.5 m-30 -61.42 -38.56 87.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.371 0.668 . . . . 73.32 111.929 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.634 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.8 mtm -68.01 -33.05 73.88 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.244 0.618 . . . . 75.22 111.775 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -51.06 60.52 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.533 0.733 . . . . 74.15 109.755 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 57.4 mttm -60.48 -48.21 82.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.192 -0.913 . . . . 62.31 109.933 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.3 92.8 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 114.653 -1.158 . . . . 70.33 110.851 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.669 0 O-C-N 123.812 0.695 . . . . 53.44 113.078 179.124 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.502 ' HE2' HD22 ' A' ' 4' ' ' LEU . 15.1 ptmt . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.321 1.23 . . . . 74.41 114.321 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' A' ' 77' ' ' LYS . 68.2 mt -94.77 122.2 46.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 113.883 -1.508 . . . . 73.42 109.473 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.502 HD22 ' HE2' ' A' ' 2' ' ' LYS . 65.0 mt -103.75 145.73 29.66 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 171.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.1 mm -105.26 103.71 15.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.331 -1.729 . . . . 55.54 106.331 168.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.628 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.72 118.04 30.3 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.622 -1.622 . . . . 74.32 106.622 -174.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 18' ' ' ILE . 69.6 mt -127.68 122.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.408 -0.59 . . . . 72.52 109.408 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.6 t30 -114.59 112.48 22.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 107.199 -1.408 . . . . 71.24 107.199 169.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -126.12 144.29 50.8 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.992 -0.744 . . . . 71.22 108.992 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -80.45 -24.56 39.46 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.658 0.742 . . . . 72.54 109.032 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.29 115.65 19.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.796 -1.093 . . . . 64.23 111.366 -171.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.04 -37.62 77.41 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.911 1.285 . . . . 51.32 111.63 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.83 -45.1 95.29 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.164 -0.926 . . . . 64.42 110.738 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.4 -32.92 74.8 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 119.174 -0.441 . . . . 75.22 111.824 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.5 mt -54.22 -66.51 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 123.98 0.8 . . . . 74.21 109.608 175.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.02 -34.21 77.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.887 0.875 . . . . 72.11 112.844 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -66.78 -50.63 62.05 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.228 0.611 . . . . 72.33 110.906 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 7' ' ' ILE . 94.8 mt -62.43 -35.78 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.598 0.759 . . . . 64.41 110.55 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 60.2 mtpt -54.66 -46.29 73.97 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.127 0.571 . . . . 73.41 111.397 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.76 -41.9 51.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.825 0.45 . . . . 74.33 110.736 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -46.8 -53.97 10.84 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.453 1.096 . . . . 74.43 111.98 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.5 m -84.94 -24.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 114.95 -1.023 . . . . 63.32 111.759 -171.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.1 -41.17 87.49 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.685 0.794 . . . . 75.12 110.042 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -68.51 -28.98 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.977 -1.01 . . . . 74.24 111.22 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.33 1.32 55.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.637 0.775 . . . . 64.35 112.535 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.45 17.43 71.2 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 114.789 0.676 . . . . 73.04 114.789 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.489 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 18.6 m-85 -99.27 97.69 8.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.193 -1.04 . . . . 71.12 108.193 176.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.67 119.92 9.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.901 0.881 . . . . 71.24 110.33 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 19' ' ' LYS . 38.4 t -75.65 131.81 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.107 0.963 . . . . 74.51 110.497 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -128.75 130.04 46.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.967 -1.494 . . . . 75.15 106.967 166.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.67 137.01 55.03 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.804 -0.813 . . . . 73.0 108.804 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG11 ' HB2' ' A' ' 38' ' ' LEU . 75.2 t -127.28 118.98 51.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 124.238 1.015 . . . . 74.12 108.653 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -120.12 7.59 10.84 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.617 0.767 . . . . 73.42 110.717 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 23.9 t70 -146.06 141.48 27.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.03 0.532 . . . . 72.43 111.055 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 17.9 m -56.35 -42.42 77.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.372 1.069 . . . . 73.12 113.104 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.3 m-20 -61.86 -41.78 98.26 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 110.339 -0.245 . . . . 72.25 110.339 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 45.5 mt-10 -61.39 -39.33 90.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.268 0.627 . . . . 72.14 110.635 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' HG11 ' A' ' 32' ' ' VAL . 7.8 tt -57.99 -52.15 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.218 0.949 . . . . 72.31 111.442 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.9 mtpp -69.84 -36.59 75.69 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.837 -1.074 . . . . 74.43 110.019 -174.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.1 mmtp -62.05 -44.17 97.27 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.3 0.64 . . . . 74.15 110.713 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.2 -48.74 80.13 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.153 0.981 . . . . 73.15 110.373 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.404 ' HE3' ' SD ' ' A' ' 67' ' ' MET . 11.2 mmt -71.64 -22.52 61.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.516 -0.766 . . . . 75.32 112.37 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 mmmm -66.83 -43.32 84.07 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.645 -0.502 . . . . 75.0 109.645 170.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 29.8 mmmt -71.43 -33.69 69.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.071 0.548 . . . . 74.22 111.014 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD12 ' SD ' ' A' ' 42' ' ' MET . 94.3 mt -68.34 -40.01 81.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.396 0.678 . . . . 74.13 109.625 174.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 123.475 0.71 . . . . 72.45 111.084 177.118 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.052 0.453 . . . . 74.42 110.518 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -124.93 117.67 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.207 -0.906 . . . . 70.01 108.713 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -90.45 127.52 36.24 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.647 -1.242 . . . . 74.45 107.647 169.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.628 ' HB ' HD23 ' A' ' 6' ' ' LEU . 30.4 mm -104.48 112.48 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.014 -0.735 . . . . 73.34 109.014 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.428 HD12 HG22 ' A' ' 15' ' ' ILE . 68.8 mt -92.28 130.69 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.054 -1.091 . . . . 73.42 108.054 168.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -143.79 130.61 20.36 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.05 -1.463 . . . . 73.11 107.05 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -93.66 -5.78 47.86 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.961 0.504 . . . . 74.33 110.536 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -110.16 115.66 30.14 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.02 -1.104 . . . . 73.31 108.02 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.07 -17.83 61.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.293 0.637 . . . . 63.2 112.073 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 53.8 tp60 -70.87 -42.19 70.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.344 0.657 . . . . 73.42 109.621 171.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.52 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.93 -0.577 . . . . 74.15 110.091 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 93' ' ' PHE . 9.5 tt -60.9 -43.94 97.83 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.504 -0.317 . . . . 73.43 110.642 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 55.4 mtpt -57.02 -50.09 73.79 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.345 0.658 . . . . 71.22 111.409 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -51.08 -51.09 56.71 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.99 0.916 . . . . 74.22 111.22 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.515 ' HG2' HD21 ' A' ' 6' ' ' LEU . 46.7 tpp -58.52 -43.14 89.06 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.248 -1.342 . . . . 71.45 111.195 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.434 HD22 HD12 ' A' ' 71' ' ' ILE . 81.0 mt -69.39 -38.48 78.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.506 0.722 . . . . 73.12 112.215 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -57.81 -45.76 85.64 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.566 0.541 . . . . 72.02 110.154 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.62 -40.94 84.66 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.881 -1.054 . . . . 72.33 111.574 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.434 HD12 HD22 ' A' ' 68' ' ' LEU . 37.4 mt -58.84 -42.39 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 124.533 1.133 . . . . 75.11 110.72 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.4 t -64.89 -41.44 95.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.885 0.741 . . . . 72.51 111.03 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -76.03 -35.25 59.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.083 0.553 . . . . 75.11 111.346 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.55 -15.63 59.14 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.61 0.764 . . . . 75.21 110.995 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.74 39.46 85.99 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 123.615 0.626 . . . . 75.22 113.747 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -81.97 138.44 34.93 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.481 0.312 . . . . 65.13 111.452 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.496 ' HB3' HG12 ' A' ' 3' ' ' ILE . 6.7 tmtm? -84.59 92.78 8.22 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 106.947 -1.501 . . . . 73.23 106.947 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 4' ' ' LEU . 90.6 t -114.48 133.26 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.061 0.544 . . . . 73.25 111.686 -168.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -99.74 151.47 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.81 -1.181 . . . . 75.01 107.81 171.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.6 tp -132.08 132.67 43.54 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.261 0.482 . . . . 71.43 111.789 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD12 HG21 ' A' ' 116' ' ' ILE . 45.1 tp -123.26 114.09 19.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.423 1.089 . . . . 75.32 108.699 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.81 136.24 40.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.759 0.823 . . . . 75.31 109.137 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -141.63 115.51 9.19 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.042 0.537 . . . . 70.23 109.817 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 43.7 m-20 -134.63 149.22 50.53 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.082 0.953 . . . . 74.23 108.452 172.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.84 -32.32 71.93 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.27 0.628 . . . . 74.31 109.822 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -90.4 96.53 10.7 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.434 -0.95 . . . . 74.53 108.434 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 31.3 mt-10 -74.9 -14.18 60.63 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.356 -0.838 . . . . 72.0 112.3 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.16 -55.61 11.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.531 0.732 . . . . 73.04 110.992 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.99 -34.12 75.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.832 0.453 . . . . 72.21 110.562 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 17.2 tp -61.56 -42.98 99.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.414 1.086 . . . . 73.32 110.706 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 19.5 tp10 -64.76 -54.29 33.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.268 0.627 . . . . 71.4 110.265 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.32 -58.25 6.08 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.318 1.011 . . . . 75.43 111.749 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.414 ' CE2' HD22 ' A' ' 64' ' ' LEU . 40.8 t80 -61.68 -33.36 73.84 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.093 0.957 . . . . 72.24 111.73 -175.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HZ3' ' HD2' ' A' ' 106' ' ' LYS . 2.6 tmmm? -61.29 -47.97 83.51 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.347 1.059 . . . . 73.2 109.759 176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 61.9 mtp85 -61.21 -33.81 74.08 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.679 0.792 . . . . 75.34 112.575 -173.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 5.0 mptp? -63.53 -52.15 62.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.946 0.499 . . . . 75.31 109.762 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -73.06 -30.32 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 114.769 -1.105 . . . . 73.11 111.068 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.52 -38.73 90.51 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 108.708 -0.849 . . . . 74.42 108.708 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 t -73.31 -23.47 60.26 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.422 -0.808 . . . . 74.43 111.208 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 92.3 mt-30 -73.21 -10.71 60.06 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.378 0.671 . . . . 73.05 111.516 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.99 55.25 2.29 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.419 -0.672 . . . . 74.44 111.419 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.93 148.66 49.17 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.8 0.84 . . . . 72.23 110.474 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -75.2 93.22 2.79 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.494 -1.299 . . . . 74.45 107.494 167.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.61 118.34 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.38 -0.6 . . . . 75.1 109.38 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -111.03 132.64 54.05 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.786 -1.19 . . . . 75.14 107.786 174.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.492 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 14.3 ptmm? -111.98 147.31 36.2 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.529 -0.545 . . . . 74.5 109.529 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -155.51 159.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 122.792 0.437 . . . . 74.04 110.735 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -141.72 43.92 1.72 Allowed 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 107.5 -1.296 . . . . 72.42 107.5 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.48 133.92 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.361 -1.291 . . . . 71.43 109.603 -174.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.16 -47.04 47.26 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.132 0.789 . . . . 74.22 113.132 -170.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.23 -33.79 63.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.666 0.387 . . . . 65.3 110.348 -175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.2 tp10 -64.71 -40.47 95.41 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.674 0.609 . . . . 75.44 109.64 173.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -60.92 -48.36 82.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.573 0.546 . . . . 71.21 111.755 177.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.46 HD11 ' HE2' ' A' ' 17' ' ' LYS . 93.5 mt -57.72 -38.33 75.11 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.421 0.688 . . . . 70.5 110.426 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 71.2 tttt -62.69 -46.2 89.27 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.995 -1.002 . . . . 74.14 110.691 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.569 HG21 HD12 ' A' ' 81' ' ' LEU . 46.3 mm -58.16 -42.36 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.258 0.623 . . . . 75.32 110.942 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 113' ' ' ALA . 25.2 t -65.81 -41.11 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 115.441 -0.799 . . . . 65.51 110.482 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -67.62 -30.05 69.52 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.018 0.527 . . . . 72.13 111.403 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 47.7 mt-10 -66.7 -46.12 76.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.216 0.606 . . . . 64.13 109.482 173.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' ILE . 18.6 m-30 -60.24 -45.52 92.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.201 1.0 . . . . 74.23 112.634 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.0 mtm -67.29 -29.03 68.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.404 0.682 . . . . 74.15 111.418 177.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.56 -38.32 70.98 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.688 0.795 . . . . 74.52 110.979 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 64.0 mttm -66.23 -49.13 68.3 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.023 0.929 . . . . 72.31 110.055 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.41 90.45 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 114.866 -1.061 . . . . 74.15 109.843 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 CA-C-N 115.391 -0.822 . . . . 53.12 113.369 177.331 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.242 0.664 0 N-CA-C 109.326 -0.62 . . . . 70.43 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.74 124.46 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.419 0.688 . . . . 74.33 109.939 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.452 ' HB2' HG23 ' A' ' 78' ' ' VAL . 72.9 mt -117.01 110.29 18.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.852 0.861 . . . . 74.01 108.924 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.74 107.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.152 -1.055 . . . . 74.42 108.152 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.641 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.02 125.51 38.69 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.774 -1.565 . . . . 74.4 106.774 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.44 129.12 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.029 0.532 . . . . 71.25 110.093 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -120.85 115.7 23.76 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.414 -1.328 . . . . 74.21 107.414 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -125.45 144.24 50.62 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 108.789 -0.819 . . . . 73.51 108.789 170.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -73.13 -27.72 61.84 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.155 -0.683 . . . . 71.54 109.155 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -96.42 113.64 25.24 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.525 1.13 . . . . 62.41 110.16 -170.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.0 -20.42 63.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.504 0.722 . . . . 74.23 112.331 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -55.0 -49.57 71.19 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.965 0.906 . . . . 72.22 110.635 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 110' ' ' ASP . 3.5 mm? -67.7 -31.13 70.88 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.456 -0.793 . . . . 63.55 112.016 179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.501 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 58.6 mt -55.18 -58.43 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 118.21 0.459 . . . . 73.14 110.272 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -67.13 -35.66 80.2 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.485 0.55 . . . . 75.54 112.485 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HE3' HD12 ' A' ' 114' ' ' LEU . 27.7 mtpp -71.3 -39.55 71.38 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.23 0.456 . . . . 75.13 112.23 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.73 -36.0 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.5 0.72 . . . . 62.15 109.909 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 96.9 mttt -55.28 -37.39 67.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.976 0.51 . . . . 74.44 111.54 175.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -70.7 -48.81 52.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.483 0.713 . . . . 72.23 111.024 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -52.07 -38.72 58.09 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.828 0.851 . . . . 73.4 112.462 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.705 HG11 ' SD ' ' A' ' 121' ' ' MET . 11.2 m -100.07 -9.19 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 65.31 112.317 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.46 -46.34 89.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.133 0.973 . . . . 72.54 110.034 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -83.49 3.81 30.63 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.516 -1.22 . . . . 73.13 111.406 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 29.9 mm-40 -113.52 -2.24 13.92 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.046 0.938 . . . . 74.24 110.936 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 48.74 41.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 114.458 0.543 . . . . 71.51 114.458 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 43.5 m-85 -108.19 121.94 45.89 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.776 -0.824 . . . . 74.32 108.776 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -74.42 107.81 6.8 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.847 -0.797 . . . . 73.51 108.847 170.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 HG22 ' HG2' ' A' ' 19' ' ' LYS . 47.0 t -79.27 124.14 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.535 -0.543 . . . . 74.4 109.535 177.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 29.8 mmm180 -116.17 120.53 39.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.196 0.998 . . . . 73.21 109.122 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -98.12 118.98 35.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.47 0.708 . . . . 75.34 110.288 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 ' HE2' ' A' ' 67' ' ' MET . 39.4 t -119.12 117.42 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.967 0.907 . . . . 73.23 109.449 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -131.11 5.58 4.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.98 0.912 . . . . 64.12 110.22 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.19 144.11 34.59 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.783 0.833 . . . . 73.42 109.909 -175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -69.47 -38.21 77.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.32 1.048 . . . . 70.34 113.132 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.2 t70 -71.22 -34.09 70.5 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.799 0.44 . . . . 74.23 109.86 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.1 mm-40 -69.35 -33.21 72.75 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.636 0.585 . . . . 75.54 110.644 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tt -58.78 -45.88 88.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.235 0.614 . . . . 73.3 110.404 171.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 10.2 mtmp? -65.61 -27.41 68.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.859 0.464 . . . . 74.35 111.551 178.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.58 -48.5 79.2 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.672 -0.492 . . . . 72.14 109.672 172.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.8 mm-40 -61.76 -51.74 67.1 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 124.359 1.037 . . . . 74.21 110.79 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.59 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 53.7 mmm -60.84 -29.02 69.25 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.871 0.732 . . . . 74.45 111.655 -173.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.3 -59.67 2.85 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.834 0.709 . . . . 65.53 110.194 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -63.56 -35.57 80.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.491 0.716 . . . . 73.22 112.617 -169.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.09 -38.55 83.27 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.609 0.764 . . . . 72.11 110.595 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.927 0 CA-C-N 115.689 -0.687 . . . . 60.13 112.275 -178.84 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 121.515 0.674 . . . . 75.42 109.576 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.33 150.87 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.134 0.973 . . . . 73.31 108.732 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 tt -116.18 128.5 55.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.097 -1.075 . . . . 74.31 108.097 176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.641 ' HB ' HD23 ' A' ' 6' ' ' LEU . 17.4 mm -115.95 123.24 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 N-CA-C 109.06 -0.719 . . . . 73.15 109.06 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.8 mt -107.16 132.49 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.983 -0.747 . . . . 74.41 108.983 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -131.03 119.94 22.73 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 107.288 -1.375 . . . . 73.33 107.288 172.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -70.37 -23.34 62.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.081 0.552 . . . . 73.11 110.808 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -102.47 116.12 31.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.437 -0.949 . . . . 73.42 108.437 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -78.18 -13.18 59.97 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.953 0.723 . . . . 73.35 112.953 -174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -68.0 -45.22 74.66 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.701 -0.852 . . . . 61.45 108.701 168.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.99 -36.63 84.18 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 115.823 -0.626 . . . . 75.53 110.639 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.522 HD13 HD11 ' A' ' 80' ' ' LEU . 7.1 tt -57.12 -45.8 83.16 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.431 0.457 . . . . 74.14 110.464 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.71 -54.14 49.88 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.659 0.599 . . . . 72.2 111.06 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.78 -47.73 64.07 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 124.186 0.929 . . . . 65.43 110.492 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.59 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 43.8 ttm -62.42 -49.47 75.35 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.109 -1.405 . . . . 72.33 112.09 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.639 HD23 HD13 ' A' ' 71' ' ' ILE . 87.5 mt -67.58 -29.95 69.44 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.049 0.54 . . . . 74.35 111.868 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.92 -35.53 72.3 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.975 0.51 . . . . 74.23 110.035 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.72 -31.86 63.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.999 0.52 . . . . 74.42 111.04 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.639 HD13 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -72.04 -30.26 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 109.497 -0.557 . . . . 75.13 109.497 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -65.52 -29.1 69.69 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.294 0.638 . . . . 71.01 110.388 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.63 -21.02 41.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.794 0.838 . . . . 72.22 111.059 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -91.08 -22.28 20.81 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.137 0.975 . . . . 74.25 111.37 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.25 26.13 71.47 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-O 119.284 -0.731 . . . . 41.24 114.874 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -81.11 148.19 29.73 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 117.729 0.764 . . . . 75.12 111.343 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -75.99 114.7 14.92 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.862 0.865 . . . . 74.55 110.349 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 4' ' ' LEU . 95.4 t -118.66 135.02 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.356 0.598 . . . . 72.54 111.984 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -112.07 117.61 33.11 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.091 -1.448 . . . . 72.32 107.091 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.522 HD11 HD13 ' A' ' 64' ' ' LEU . 56.8 tp -104.34 121.84 44.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.744 0.418 . . . . 64.44 110.551 -174.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 tp -107.03 113.89 27.64 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.712 -0.848 . . . . 74.42 108.712 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 90' ' ' LEU . 90.9 mt -101.82 136.51 41.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.836 0.855 . . . . 64.23 109.294 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -138.38 106.67 5.78 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.697 0.799 . . . . 73.1 108.943 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -141.19 148.69 40.36 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.249 -0.887 . . . . 73.12 108.632 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.99 -41.07 99.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.327 0.651 . . . . 73.54 111.701 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.6 95.33 9.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.011 0.524 . . . . 70.14 110.216 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.51 -32.53 62.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.803 1.241 . . . . 73.05 113.26 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.42 -57.72 11.73 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.09 0.868 . . . . 74.13 110.96 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.4 -16.34 46.31 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.847 0.459 . . . . 64.31 111.452 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 82' ' ' LEU . 26.3 tp -70.17 -38.22 75.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 74.51 110.258 174.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -77.19 -36.69 54.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.748 0.419 . . . . 74.43 110.522 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -53.52 -45.63 69.82 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.719 0.637 . . . . 75.34 111.062 170.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -74.25 -35.62 63.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.034 -0.985 . . . . 63.35 110.873 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.552 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 27.3 ttpp -61.21 -56.91 15.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.436 0.694 . . . . 75.11 111.148 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -60.78 -24.1 65.51 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.288 0.993 . . . . 75.42 112.995 -170.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -51.01 56.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.575 0.75 . . . . 74.54 110.845 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.75 -29.54 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 114.915 -1.039 . . . . 73.42 110.521 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -73.68 -30.87 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.846 -1.07 . . . . 73.24 109.743 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -74.25 -18.92 60.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.141 0.576 . . . . 72.34 110.677 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -75.03 -22.15 58.62 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.891 0.476 . . . . 74.35 110.382 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.35 47.53 1.05 Allowed Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.066 0.365 . . . . 72.33 112.657 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -126.27 138.23 53.59 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.137 0.975 . . . . 73.43 108.626 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.08 94.01 2.84 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.63 -0.878 . . . . 73.2 108.63 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 80' ' ' LEU . 22.8 t -102.96 117.68 48.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.119 -0.946 . . . . 74.42 109.121 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -110.0 147.27 33.83 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.648 0.779 . . . . 64.3 109.217 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.552 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 9.7 mtmp? -98.4 161.93 13.43 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.062 -0.517 . . . . 74.24 109.814 172.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -161.65 154.32 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 114.983 -1.008 . . . . 73.04 108.967 170.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.9 p -128.94 -25.26 2.81 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.115 0.966 . . . . 74.1 110.253 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.18 149.44 21.48 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.892 0.877 . . . . 71.54 111.63 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.489 ' HA ' HD13 ' A' ' 14' ' ' LEU . 7.2 m-20 -64.26 -57.97 7.9 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.357 1.063 . . . . 74.51 112.655 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 38.4 mt-10 -67.14 -37.98 84.75 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.07 -0.514 . . . . 74.41 110.231 -174.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.81 -36.19 83.51 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 123.706 0.629 . . . . 70.43 111.212 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.32 -47.85 80.48 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.313 0.383 . . . . 72.44 110.512 175.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.564 HD12 ' HE3' ' A' ' 17' ' ' LYS . 45.4 mt -64.82 -35.21 80.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.003 0.815 . . . . 74.31 111.039 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 64.3 mttp -63.13 -48.06 80.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.747 0.819 . . . . 72.41 110.911 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -72.54 -28.3 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.148 0.579 . . . . 74.02 110.828 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.24 -46.04 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 109.594 -0.521 . . . . 72.01 109.594 170.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -68.22 -30.62 69.72 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.964 0.506 . . . . 63.3 111.252 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 51.7 mm-40 -65.55 -46.68 78.6 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 123.506 0.504 . . . . 72.53 110.042 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -62.28 -37.28 84.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.515 0.726 . . . . 75.42 112.298 176.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.705 ' SD ' HG11 ' A' ' 22' ' ' VAL . 74.8 mtm -73.4 -26.79 61.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.184 0.593 . . . . 72.54 111.522 176.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -69.71 -44.01 71.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.707 0.803 . . . . 75.23 110.153 173.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.2 mttm -67.45 -46.45 73.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.49 -0.777 . . . . 74.32 109.794 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.29 80.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.136 0.974 . . . . 63.2 110.695 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.175 0 CA-C-N 115.255 -0.884 . . . . 72.5 112.94 176.257 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 45' ' ' LEU . 68.3 mttm . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.847 -0.797 . . . . 73.41 108.847 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB1' ' A' ' 124' ' ' ALA . 47.2 mm -96.89 109.88 23.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.421 -1.326 . . . . 74.31 107.421 168.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' HB2' HG22 ' A' ' 78' ' ' VAL . 71.4 mt -113.17 109.0 18.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.611 -0.885 . . . . 74.31 108.611 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.5 mm -88.49 102.24 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.781 -1.563 . . . . 74.14 106.781 173.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.34 130.14 35.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.464 -1.68 . . . . 73.43 106.464 -176.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.588 HD13 HD23 ' A' ' 55' ' ' LEU . 70.3 mt -137.67 130.55 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 123.082 0.553 . . . . 74.22 109.521 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -114.7 109.22 17.88 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.682 -0.859 . . . . 73.13 108.682 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -129.05 125.78 38.02 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 108.042 -1.096 . . . . 73.14 108.042 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 59' ' ' ASN . 10.4 t30 -77.97 -13.52 59.85 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.217 0.607 . . . . 73.43 110.406 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -93.77 119.95 33.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.786 . . . . 71.3 109.913 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.65 -30.19 67.12 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.782 1.233 . . . . 75.22 112.451 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -57.0 -51.38 69.46 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.002 0.814 . . . . 74.52 110.018 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.33 -31.84 70.54 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.7 -0.667 . . . . 74.01 112.207 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.479 HG23 HG23 ' A' ' 57' ' ' ILE . 61.1 mt -54.71 -55.21 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 118.183 0.447 . . . . 74.23 109.889 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.13 -31.26 61.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 115.78 -0.645 . . . . 75.21 112.337 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -65.1 -50.99 63.94 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.238 0.615 . . . . 74.13 110.721 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.38 -40.47 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.956 0.903 . . . . 73.23 110.258 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HG2' HG11 ' A' ' 29' ' ' VAL . 96.8 mttt -53.81 -41.9 67.8 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 123.515 0.51 . . . . 73.32 111.769 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -78.36 -42.13 31.35 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.329 0.652 . . . . 74.43 111.912 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' HD23 ' A' ' 114' ' ' LEU . 19.5 mm-40 -48.94 -45.77 42.27 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.848 0.859 . . . . 74.21 111.176 171.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 55' ' ' LEU . 5.6 m -94.39 -14.2 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.455 -0.793 . . . . 72.35 112.088 -173.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.49 -42.29 98.55 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.723 0.809 . . . . 73.53 109.952 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.84 -21.88 66.01 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.02 -0.991 . . . . 64.25 111.064 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -100.92 10.11 41.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.778 0.831 . . . . 73.2 111.773 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.77 23.35 78.13 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 115.965 1.146 . . . . 71.34 115.965 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.34 109.15 20.08 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 117.976 0.888 . . . . 74.54 109.3 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.46 104.85 2.42 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.132 -0.692 . . . . 70.33 109.132 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.522 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.6 t -82.18 132.72 30.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.024 0.44 . . . . 70.43 110.865 -174.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HB2' HD13 ' A' ' 56' ' ' ILE . 11.9 mmt85 -126.18 111.93 15.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.997 1.319 . . . . 75.14 107.794 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.22 134.43 51.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.567 0.747 . . . . 75.04 109.266 -175.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -132.86 128.46 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.155 0.982 . . . . 53.14 109.557 -169.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -134.91 19.35 3.49 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.865 0.866 . . . . 75.3 110.496 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -145.72 146.28 31.19 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.693 0.797 . . . . 53.02 110.069 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.9 p -62.14 -43.94 97.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.315 1.046 . . . . 71.51 113.426 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 34.9 m-20 -69.01 -32.89 72.75 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.038 0.135 . . . . 62.44 110.92 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.66 0.384 . . . . 74.3 110.911 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -42.37 90.04 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.942 0.897 . . . . 74.2 110.621 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 52.4 mtpt -65.96 -39.34 90.34 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.978 -1.01 . . . . 71.32 111.114 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 73.8 mmtt -63.09 -49.12 75.73 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.236 0.614 . . . . 73.53 111.259 -179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 mm-40 -70.29 -35.51 73.77 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.259 0.624 . . . . 64.3 110.608 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.533 ' HE1' ' SD ' ' A' ' 67' ' ' MET . 9.2 mmt -64.54 -35.75 81.98 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.367 0.667 . . . . 71.33 111.254 174.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -62.02 -40.0 94.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 123.502 0.501 . . . . 73.33 110.516 174.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -70.34 -36.39 74.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.799 0.439 . . . . 75.43 110.981 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 78.5 mt -64.55 -39.6 94.06 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.109 0.563 . . . . 63.44 109.869 175.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.019 0 C-N-CA 124.039 0.936 . . . . 51.55 112.252 -177.194 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.953 0.882 . . . . 72.54 109.939 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -112.5 141.04 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.479 1.111 . . . . 75.21 108.63 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 7' ' ' ILE . 9.3 tt -115.96 115.57 26.4 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 107.843 -1.169 . . . . 75.02 107.843 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.612 ' HB ' HD23 ' A' ' 6' ' ' LEU . 28.3 mm -97.33 120.57 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 108.728 -0.841 . . . . 75.24 108.728 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.479 HG23 HG23 ' A' ' 15' ' ' ILE . 75.1 mt -103.94 142.48 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 t -152.82 124.56 7.83 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.093 -1.077 . . . . 42.51 108.093 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 10' ' ' ASN . 33.8 p30 -82.29 -8.35 59.64 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.603 0.361 . . . . 72.13 110.536 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.25 116.25 31.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.517 1.127 . . . . 71.32 108.752 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -74.02 -21.64 59.89 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.638 0.607 . . . . 73.11 112.638 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 35.2 tt0 -65.96 -43.02 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 72.14 110.067 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.38 -33.63 74.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.041 -0.981 . . . . 75.1 110.696 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.51 HD11 HD13 ' A' ' 80' ' ' LEU . 5.3 tt -61.89 -40.89 96.97 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.741 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 53.8 mtpt -65.36 -49.39 69.54 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 72.34 110.473 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -54.98 -44.46 74.47 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.073 0.858 . . . . 71.21 110.802 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.533 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 42.8 tpp -56.15 -51.59 67.44 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.935 1.294 . . . . 71.31 110.118 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.424 HD23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -65.42 -36.27 83.43 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 74.3 111.94 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.07 -39.58 94.38 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.281 0.632 . . . . 72.42 110.792 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.436 HD13 ' HG3' ' A' ' 42' ' ' MET . 60.9 mt -70.2 -36.41 74.58 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.853 0.861 . . . . 74.32 111.264 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HG23 ' A' ' 78' ' ' VAL . 83.0 mt -62.6 -43.12 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.028 0.931 . . . . 72.41 110.786 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -62.1 -27.45 68.93 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.518 0.727 . . . . 74.13 111.746 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.18 -40.94 62.19 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.641 -0.709 . . . . 74.15 111.182 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.03 -34.49 22.31 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.842 0.857 . . . . 73.23 112.521 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 83.7 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 123.457 0.551 . . . . 74.11 113.254 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -128.07 146.25 50.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.862 0.865 . . . . 75.04 110.449 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -76.15 95.68 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.297 0.639 . . . . 72.53 110.118 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.707 HG23 HD12 ' A' ' 71' ' ' ILE . 89.8 t -106.34 127.08 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 124.014 0.926 . . . . 73.35 110.832 -175.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.462 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.3 m-85 -114.89 113.27 23.96 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.109 -1.441 . . . . 74.13 107.109 175.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.51 HD13 HD11 ' A' ' 64' ' ' LEU . 37.7 tp -101.85 134.98 44.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.317 0.579 . . . . 73.34 111.254 -172.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -119.64 113.17 20.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.155 -1.054 . . . . 75.33 108.155 170.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD12 HD13 ' A' ' 97' ' ' ILE . 94.9 mt -95.59 116.88 29.46 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.015 -1.106 . . . . 75.54 108.015 171.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -103.25 121.88 43.62 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.479 -0.934 . . . . 74.14 108.479 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 12.8 t70 -155.13 133.96 12.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.739 -1.208 . . . . 74.12 107.739 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -73.18 -18.64 61.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.251 0.62 . . . . 64.11 111.576 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.78 106.87 17.58 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.295 1.038 . . . . 74.22 108.466 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -22.16 66.17 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.372 0.878 . . . . 71.2 113.372 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -68.11 -60.49 2.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.642 0.377 . . . . 74.45 110.29 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.12 -26.52 62.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.348 0.659 . . . . 74.32 110.654 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 40.7 tp -60.87 -53.46 57.01 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.742 0.817 . . . . 74.4 111.031 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.89 -40.92 71.95 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.726 0.81 . . . . 75.33 111.053 -171.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 mt-10 -54.22 -44.39 71.63 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.562 0.745 . . . . 73.45 111.523 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -76.21 -35.23 59.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.297 0.639 . . . . 75.41 110.827 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.92 -51.14 69.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.154 1.382 . . . . 75.42 110.394 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.19 -29.36 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.981 0.912 . . . . 73.02 112.632 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 64.7 mttm -65.33 -48.56 72.63 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.252 0.621 . . . . 72.41 109.987 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 82' ' ' LEU . 70.0 mt -72.53 -31.75 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 115.048 -0.978 . . . . 74.13 111.123 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.15 -30.46 69.6 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.053 -0.976 . . . . 74.14 109.828 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.9 t -79.43 -21.92 44.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.042 0.937 . . . . 73.41 111.279 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.04 -26.84 65.19 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.269 0.628 . . . . 75.12 110.865 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.49 37.08 1.5 Allowed Glycine 0 C--N 1.348 1.195 0 CA-C-N 116.134 -0.484 . . . . 72.14 112.154 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -116.32 137.44 52.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.415 0.686 . . . . 72.32 109.577 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.28 95.82 3.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.531 -0.914 . . . . 73.31 108.531 172.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 10.5 t -112.67 125.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.377 0.671 . . . . 74.44 109.842 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -105.91 156.42 18.38 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.411 0.684 . . . . 75.21 109.563 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -96.03 156.53 16.3 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.878 -1.056 . . . . 75.22 109.263 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -164.07 142.94 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.24 0.616 . . . . 74.31 110.723 170.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.3 p -111.72 -46.42 3.25 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.958 0.903 . . . . 71.13 110.105 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.35 149.82 31.59 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.306 0.642 . . . . 71.33 111.262 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.82 -38.35 62.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.44 0.696 . . . . 73.42 111.144 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.77 -39.07 80.4 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.06 0.457 . . . . 71.54 110.022 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.6 tt0 -67.47 -35.27 78.84 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.914 -1.039 . . . . 72.54 110.007 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.523 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -56.15 -52.54 63.99 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 123.997 0.811 . . . . 71.4 110.197 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 21' ' ' GLU . 50.6 mt -59.83 -36.21 76.34 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 124.435 1.084 . . . . 74.01 110.961 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -78.31 -27.85 47.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.374 -0.83 . . . . 74.24 112.677 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -82.72 -28.47 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 109.576 -0.528 . . . . 65.21 109.576 174.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 113' ' ' ALA . 75.1 t -60.82 -49.92 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 109.489 -0.56 . . . . 74.0 109.489 171.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.92 -18.69 62.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.584 -0.735 . . . . 73.41 111.383 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -68.33 -46.64 69.66 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.389 -0.597 . . . . 73.23 109.389 169.073 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 28.0 m-85 -63.31 -35.45 80.42 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.277 0.631 . . . . 71.43 112.149 175.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.522 ' SD ' HG13 ' A' ' 22' ' ' VAL . 57.2 mtm -71.34 -31.07 66.94 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.881 0.473 . . . . 74.31 111.542 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -64.7 -39.31 93.44 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.619 0.768 . . . . 75.43 110.086 173.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 62.1 mttm -66.6 -44.55 81.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.496 0.719 . . . . 74.05 110.029 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -67.91 -34.01 75.8 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.204 -1.362 . . . . 54.25 112.456 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.285 0 O-C-N 123.484 0.49 . . . . 73.42 113.549 178.068 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.057 -0.349 . . . . 74.12 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' A' ' 124' ' ' ALA . 65.1 mt -110.19 135.42 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 64.54 109.304 -177.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 76.8 mt -121.29 140.92 51.43 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.812 -0.81 . . . . 75.23 108.812 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mm -123.02 109.9 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 107.891 -1.151 . . . . 74.55 107.891 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.492 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -97.07 128.19 43.76 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.287 -1.375 . . . . 72.24 107.287 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.33 130.5 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-O 121.14 0.495 . . . . 74.32 109.881 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.9 114.87 18.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.729 1.212 . . . . 75.32 107.862 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -125.67 145.29 50.23 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.698 0.799 . . . . 75.25 109.381 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -81.6 -17.68 47.41 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 65.44 110.008 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' HD23 ' A' ' 14' ' ' LEU . 80.5 m-20 -102.57 117.04 33.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.051 0.94 . . . . 74.45 110.272 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.0 -25.49 63.68 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.576 1.15 . . . . 71.11 111.699 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.22 -51.41 58.41 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.208 1.003 . . . . 75.41 109.918 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -66.56 -27.84 68.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.58 -0.737 . . . . 75.05 112.474 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 59' ' ' ASN . 64.6 mt -60.45 -51.64 70.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 118.201 0.455 . . . . 71.51 110.571 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 15.7 ptpt -75.59 -32.56 60.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.748 -0.66 . . . . 73.23 111.808 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -65.54 -46.4 79.68 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.471 0.708 . . . . 73.12 110.827 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.43 -35.48 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.969 0.908 . . . . 74.31 110.201 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HZ1' HG22 ' A' ' 15' ' ' ILE . 60.6 mttp -54.34 -42.52 70.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.924 0.329 . . . . 74.32 111.749 172.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 13.8 mmmm -73.36 -38.38 65.73 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.886 0.475 . . . . 74.2 110.854 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -56.16 -53.79 52.94 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.475 0.71 . . . . 64.55 111.651 172.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.724 HG13 ' SD ' ' A' ' 121' ' ' MET . 13.0 m -81.37 -11.44 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.059 -0.973 . . . . 71.32 111.697 -171.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.42 -43.67 71.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.567 1.147 . . . . 74.41 110.552 170.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -76.85 -25.2 52.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.812 -1.085 . . . . 75.23 111.189 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -98.74 -7.03 28.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.372 0.669 . . . . 75.35 112.263 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.23 43.93 77.81 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 114.783 0.673 . . . . 72.33 114.783 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.644 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 10.2 m-85 -103.44 102.76 12.69 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.808 -0.812 . . . . 75.23 108.808 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.76 116.5 8.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.794 0.838 . . . . 73.14 110.344 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.54 130.06 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.708 0.803 . . . . 72.4 111.446 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -119.37 120.26 36.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.442 1.097 . . . . 75.11 108.617 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.96 118.92 32.61 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.914 -0.772 . . . . 51.55 108.914 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.68 118.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.303 1.041 . . . . 72.44 108.524 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -129.76 5.17 5.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.919 1.288 . . . . 74.52 110.275 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.49 137.82 47.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.303 1.041 . . . . 75.35 108.474 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 p -64.87 -26.15 68.2 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.341 0.656 . . . . 74.41 111.92 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.552 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 14.2 m-20 -66.99 -43.92 81.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.552 0.341 . . . . 71.24 110.6 173.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.57 -35.34 80.65 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.9 0.75 . . . . 75.24 110.547 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 66' ' ' GLU . 4.4 tt -56.51 -52.15 65.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.839 0.856 . . . . 75.23 110.484 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 36' ' ' ASP . 51.9 mtmt -55.49 -57.72 10.75 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.0 0.813 . . . . 73.33 110.368 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.7 mmtp -49.46 -57.49 6.89 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 124.931 1.395 . . . . 75.23 111.858 -174.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.9 mm-40 -67.89 -35.5 78.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.646 -0.706 . . . . 64.03 111.284 -171.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 67' ' ' MET . 92.1 mmm -67.21 -35.21 79.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.374 0.421 . . . . 74.31 111.706 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.2 mmtt -65.82 -40.9 92.25 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.286 -0.635 . . . . 72.14 109.286 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.35 -36.83 85.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.096 0.958 . . . . 74.41 111.321 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 HD21 HG23 ' A' ' 54' ' ' ILE . 79.4 mt -64.96 -31.56 72.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.152 0.581 . . . . 75.01 111.236 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 123.351 0.661 . . . . 72.44 111.247 177.174 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 29.1 mtmm . . . . . 0 C--O 1.24 0.582 0 N-CA-C 109.544 -0.539 . . . . 74.24 109.544 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.501 HG23 HD21 ' A' ' 45' ' ' LEU . 50.6 mm -105.28 126.19 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.987 0.915 . . . . 65.11 109.318 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.58 127.9 48.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.691 -0.855 . . . . 73.3 108.691 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.492 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.9 mm -111.71 119.53 60.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 123.804 0.842 . . . . 72.25 108.966 175.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 15' ' ' ILE . 62.8 mt -95.47 128.86 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.868 -0.79 . . . . 75.32 108.868 171.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -140.61 122.89 15.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.737 -0.838 . . . . 75.42 108.737 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.587 HD22 HD13 ' A' ' 15' ' ' ILE . 18.8 m120 -80.03 -22.18 42.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.955 0.902 . . . . 62.23 111.269 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.47 117.37 30.76 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.488 -1.301 . . . . 74.42 107.488 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.44 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 34.9 pttt -70.79 -15.15 62.64 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.89 -0.595 . . . . 73.15 110.851 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.84 -55.64 21.4 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.53 0.732 . . . . 75.04 109.56 168.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.6 -27.31 67.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.264 -0.88 . . . . 73.42 111.019 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tt -62.08 -49.08 77.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.771 0.828 . . . . 70.04 110.03 173.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.26 -48.93 79.66 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.172 0.589 . . . . 73.12 111.404 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.6 mm-40 -56.8 -46.47 81.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.921 0.763 . . . . 73.42 110.196 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 42' ' ' MET . 40.6 tpp -55.03 -53.13 59.71 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.292 -1.322 . . . . 72.43 110.62 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.14 -42.81 99.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.979 0.912 . . . . 74.52 111.539 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.38 -32.96 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.007 0.523 . . . . 74.35 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.13 -42.64 79.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.79 0.436 . . . . 74.42 110.682 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 67' ' ' MET . 57.2 mt -66.29 -32.41 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 73.22 110.436 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.5 t -59.09 -40.5 85.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.714 0.806 . . . . 75.53 110.646 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -73.47 -28.14 61.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.151 -0.931 . . . . 74.44 111.058 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.51 -31.19 32.95 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.666 0.787 . . . . 74.42 111.573 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.15 61.23 4.06 Favored Glycine 0 C--N 1.348 1.225 0 C-N-CA 123.269 0.461 . . . . 75.12 113.423 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -121.27 149.4 42.95 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.309 0.644 . . . . 71.43 110.567 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -78.87 115.18 18.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.284 0.634 . . . . 71.52 110.298 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 43.4 t -107.35 135.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.707 0.803 . . . . 72.54 110.946 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.66 116.31 28.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.163 -1.421 . . . . 75.43 107.163 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 40.9 tp -110.61 129.16 55.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.296 1.038 . . . . 74.01 111.318 -172.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 37.3 tp -113.63 122.68 47.93 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.761 0.824 . . . . 63.42 109.728 172.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.87 117.84 34.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.982 0.913 . . . . 75.52 108.982 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -109.33 112.38 24.48 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.419 -0.586 . . . . 71.22 109.419 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.83 139.64 26.51 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.024 -0.732 . . . . 72.41 109.024 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -77.36 -20.49 54.71 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.777 0.831 . . . . 75.11 112.226 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.37 91.16 3.54 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.07 -0.715 . . . . 71.43 109.07 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 46.9 mt-10 -62.17 -11.05 12.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.166 0.986 . . . . 63.22 113.195 -176.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.31 -60.58 3.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.58 0.752 . . . . 65.45 110.597 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.17 -29.82 43.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.853 0.461 . . . . 72.22 110.579 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.609 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 26.9 tp -61.29 -36.1 79.15 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.943 0.897 . . . . 75.02 110.782 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.54 -48.23 80.4 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.032 0.533 . . . . 73.35 110.32 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.29 -50.41 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.082 -0.963 . . . . 71.04 110.992 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.8 -26.36 62.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.771 0.828 . . . . 70.33 111.171 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.77 -55.62 16.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.403 -0.591 . . . . 74.44 109.403 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -63.19 -27.83 69.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.714 0.806 . . . . 73.32 111.473 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -58.41 7.8 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.552 1.141 . . . . 74.32 110.756 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.7 mt -81.52 -23.36 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 114.355 -1.293 . . . . 73.12 111.052 -173.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.26 -30.29 64.71 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 109.024 -0.732 . . . . 73.33 109.024 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.9 t -72.35 -29.68 64.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.426 0.691 . . . . 63.53 110.06 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -76.76 4.57 9.33 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.556 0.743 . . . . 75.15 111.468 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.85 22.61 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.024 0.345 . . . . 72.21 113.74 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.504 ' HB2' HG22 ' A' ' 97' ' ' ILE . 74.6 m-85 -116.65 147.43 41.93 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.852 0.461 . . . . 75.43 110.985 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.62 93.02 2.99 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.654 -0.869 . . . . 74.52 108.654 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 t -112.03 116.92 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 109.642 -0.503 . . . . 70.24 109.642 -172.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -119.39 145.8 45.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.179 0.591 . . . . 75.43 109.768 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.467 ' HB2' HD23 ' A' ' 90' ' ' LEU . 11.1 ptmm? -111.4 143.53 42.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.364 1.066 . . . . 71.23 110.37 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -147.13 153.77 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 123.533 0.733 . . . . 73.32 109.481 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -118.76 -31.69 4.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.885 0.874 . . . . 75.11 110.722 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.99 149.36 21.58 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.522 0.729 . . . . 72.14 111.553 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.06 -38.09 72.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.068 0.947 . . . . 70.45 111.637 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.42 -44.64 82.39 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.476 -0.784 . . . . 75.02 110.085 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.447 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.9 tt0 -75.48 -34.42 60.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.464 -0.789 . . . . 60.22 110.694 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -53.23 -47.67 68.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.46 0.704 . . . . 72.34 111.157 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 72.8 mt -58.92 -44.28 91.27 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.117 0.886 . . . . 73.53 110.344 176.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -67.62 -32.7 73.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.418 0.687 . . . . 73.33 112.267 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.4 mm -74.8 -32.86 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 109.698 -0.482 . . . . 73.41 109.698 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.55 -40.66 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.632 -0.507 . . . . 73.33 109.632 169.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 32.9 mtp180 -67.4 -30.24 69.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.44 0.696 . . . . 73.2 111.246 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.26 -49.8 70.46 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.588 -0.523 . . . . 73.14 109.588 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.8 m-30 -60.3 -40.78 91.75 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.244 -0.889 . . . . 74.34 111.664 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.724 ' SD ' HG13 ' A' ' 22' ' ' VAL . 77.6 mtm -72.58 -30.42 64.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.547 0.739 . . . . 75.32 111.887 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -66.25 -47.32 74.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.746 0.818 . . . . 75.2 111.146 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -80.44 -35.69 34.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.824 -1.08 . . . . 74.51 110.672 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' A' ' 3' ' ' ILE . . . -69.33 -32.86 72.23 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.866 -0.606 . . . . 74.01 109.465 169.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.272 0 O-C-N 123.595 0.56 . . . . 74.43 112.276 173.168 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.363 -0.977 . . . . 74.43 108.363 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.78 131.25 40.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.373 -0.973 . . . . 65.24 108.373 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.494 ' HB2' HG23 ' A' ' 78' ' ' VAL . 20.3 mt -109.57 141.2 42.41 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.573 -1.194 . . . . 74.11 108.033 -177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.3 mm -111.78 104.86 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.063 -1.458 . . . . 73.41 107.063 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.558 HD23 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -90.82 132.24 36.0 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.638 -1.616 . . . . 75.44 106.638 -179.472 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.474 HD13 HD21 ' A' ' 55' ' ' LEU . 67.3 mt -136.28 137.44 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.446 -0.576 . . . . 70.25 109.446 -176.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 58' ' ' SER . 2.9 t-20 -132.34 115.29 15.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.101 0.96 . . . . 74.23 109.415 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 139.59 53.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.514 -0.921 . . . . 74.12 108.514 169.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.18 -17.48 56.75 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.034 0.533 . . . . 72.24 110.308 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -96.54 123.44 40.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.22 1.008 . . . . 63.24 111.014 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' HD11 ' A' ' 15' ' ' ILE . 6.5 m-20 -59.36 -30.92 68.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.99 1.316 . . . . 71.54 112.376 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.02 -55.67 31.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.264 1.026 . . . . 74.21 110.282 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.93 -24.86 66.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.152 0.581 . . . . 75.44 111.92 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' ' 12' ' ' ASP . 70.1 mt -59.84 -58.7 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.639 -0.504 . . . . 75.11 109.639 174.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HZ2' ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -70.11 -29.22 66.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.072 0.549 . . . . 73.04 111.993 -176.291 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.72 -55.92 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.509 0.724 . . . . 75.04 110.747 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.48 -33.21 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 124.182 0.926 . . . . 74.33 110.813 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.6 mttt -51.57 -44.62 62.81 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.475 0.484 . . . . 75.01 110.923 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -78.88 -44.43 22.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.509 0.723 . . . . 74.4 111.495 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -49.1 -51.45 31.68 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.536 0.735 . . . . 74.4 112.066 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG21 HG22 ' A' ' 29' ' ' VAL . 5.7 m -85.11 -19.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.165 -0.925 . . . . 61.35 111.688 -171.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.36 -46.68 83.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.288 1.035 . . . . 75.34 110.284 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -79.01 1.18 24.78 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.136 -0.938 . . . . 74.21 112.212 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.71 2.48 21.88 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.744 0.818 . . . . 75.41 111.566 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.84 15.92 69.12 Favored Glycine 0 N--CA 1.473 1.164 0 N-CA-C 114.912 0.725 . . . . 74.21 114.912 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -100.66 124.48 46.31 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.227 0.611 . . . . 74.44 109.778 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.72 107.43 6.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.101 0.961 . . . . 74.42 109.562 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG22 HG21 ' A' ' 22' ' ' VAL . 3.5 t -78.83 132.23 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.519 0.727 . . . . 73.42 110.767 -172.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -127.9 149.76 50.17 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 107.554 -1.276 . . . . 75.45 107.554 166.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.14 141.9 51.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.774 -0.825 . . . . 75.43 108.774 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 63' ' ' LEU . 55.5 t -121.95 114.8 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 72.0 108.093 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -111.78 -1.58 15.56 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.266 1.026 . . . . 72.2 111.003 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -150.41 155.69 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.7 0.286 . . . . 74.15 110.611 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 p -60.37 -28.67 68.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.334 1.054 . . . . 70.11 112.457 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 25.6 t70 -60.73 -52.04 66.8 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.513 0.508 . . . . 63.05 109.694 172.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -59.26 -37.3 77.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.435 1.085 . . . . 74.23 110.854 -177.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.7 tt -54.18 -57.43 11.18 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 114.507 -1.224 . . . . 74.33 110.344 173.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.04 -39.78 75.49 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.26 0.975 . . . . 74.44 111.594 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 29.2 mmmt -62.32 -43.72 98.16 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.955 0.784 . . . . 74.41 110.449 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 24.4 mm-40 -83.43 -21.27 32.99 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.881 0.697 . . . . 74.44 112.881 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.56 -36.02 80.15 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.893 -0.41 . . . . 71.35 109.893 170.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -57.47 -45.23 85.06 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.177 0.923 . . . . 72.42 110.068 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 38.7 mmtm -61.72 -38.76 89.09 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.829 0.705 . . . . 71.35 111.114 -175.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.39 -21.74 65.58 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.989 0.516 . . . . 75.32 112.02 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.433 0.693 . . . . 63.53 111.409 178.71 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 107.897 -1.149 . . . . 73.11 107.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -98.11 132.19 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 109.068 -0.716 . . . . 75.31 109.068 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 HD21 HD13 ' A' ' 7' ' ' ILE . 9.1 tt -117.39 127.46 54.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.18 -1.044 . . . . 73.44 108.18 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.563 HG22 ' SD ' ' A' ' 67' ' ' MET . 20.8 mm -111.73 128.73 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 109.275 -0.639 . . . . 74.11 109.275 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.93 127.51 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 107.772 -1.196 . . . . 72.03 107.772 169.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.2 t -131.81 135.62 46.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.152 -1.425 . . . . 61.52 107.152 174.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -88.09 -8.05 56.06 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.325 0.25 . . . . 75.21 110.789 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -112.36 125.04 53.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.924 0.89 . . . . 62.21 109.373 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.2 pttm -75.25 -27.37 59.45 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.277 0.631 . . . . 73.22 112.083 -174.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -67.82 -42.2 81.86 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 109.596 -0.52 . . . . 73.24 109.596 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 32' ' ' VAL . 90.7 mt -61.35 -43.67 98.48 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.825 0.703 . . . . 74.34 109.658 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.674 HD11 HD13 ' A' ' 80' ' ' LEU . 2.3 tt -54.69 -42.21 71.15 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.741 0.816 . . . . 73.23 112.003 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 51.7 mtpt -65.11 -54.86 23.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.084 0.554 . . . . 73.42 110.821 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -54.43 -41.63 69.58 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.967 0.792 . . . . 73.43 110.833 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.563 ' SD ' HG22 ' A' ' 56' ' ' ILE . 36.4 ttm -57.61 -51.84 67.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.431 1.492 . . . . 71.5 111.314 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.16 -22.31 61.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.574 0.75 . . . . 73.4 111.795 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 11.9 mm-40 -64.24 -52.06 60.61 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.895 -0.78 . . . . 73.24 108.895 170.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.28 -37.56 87.93 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.223 -1.353 . . . . 73.51 111.785 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.657 HG23 HG21 ' A' ' 78' ' ' VAL . 85.0 mt -70.76 -35.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.425 0.69 . . . . 74.31 110.85 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -65.49 -32.47 74.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.716 0.406 . . . . 73.1 110.602 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -71.5 -32.18 67.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.052 0.541 . . . . 75.32 110.582 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.19 -34.66 66.1 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.603 0.761 . . . . 61.2 110.419 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.44 83.12 0.43 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.384 -0.825 . . . . 70.02 112.195 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.5 148.15 50.49 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.882 0.873 . . . . 72.33 110.26 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -82.1 100.28 9.69 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.491 -1.3 . . . . 75.0 107.491 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.657 HG21 HG23 ' A' ' 71' ' ' ILE . 57.8 t -110.95 134.28 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.752 0.821 . . . . 71.12 110.747 -176.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -100.41 127.79 46.65 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.682 -1.229 . . . . 73.3 107.682 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.674 HD13 HD11 ' A' ' 64' ' ' LEU . 39.5 tp -115.0 132.37 56.62 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.309 0.644 . . . . 75.22 111.413 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 20.9 tp -113.78 126.09 54.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.071 0.548 . . . . 74.34 109.829 169.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' A' ' 90' ' ' LEU . 95.6 mt -112.06 115.0 28.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.838 0.855 . . . . 74.54 109.552 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.8 112.42 25.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.856 0.862 . . . . 75.22 108.993 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -154.8 137.39 15.15 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.104 -1.073 . . . . 74.31 108.104 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -74.71 -14.6 60.75 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.46 0.704 . . . . 75.51 112.811 -172.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -106.16 83.58 1.92 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.061 -0.718 . . . . 75.23 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 40.2 mt-10 -62.01 -22.79 65.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.731 1.212 . . . . 72.4 113.408 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -62.66 -58.1 8.68 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.189 0.596 . . . . 70.44 110.598 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.36 -29.2 62.48 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.016 0.526 . . . . 64.05 110.596 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 82' ' ' LEU . 57.6 tp -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.407 1.083 . . . . 74.42 111.668 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.36 -38.5 65.68 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.195 0.598 . . . . 73.1 110.362 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.95 -32.45 71.98 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.01 0.819 . . . . 65.0 111.216 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -80.6 -35.67 33.84 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.758 0.823 . . . . 74.41 110.455 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 28.2 ttpp -62.18 -51.29 68.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.867 0.867 . . . . 74.22 111.08 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -60.37 -23.98 64.72 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.285 0.991 . . . . 71.23 112.911 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -63.39 -56.3 17.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.625 0.77 . . . . 74.03 110.063 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.6 mt -78.39 -27.99 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 114.321 -1.309 . . . . 65.34 110.734 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.75 -33.59 72.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.335 1.054 . . . . 73.21 109.621 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 -20.99 57.62 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.762 0.825 . . . . 75.42 110.578 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.14 4.94 15.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.307 0.643 . . . . 64.23 111.338 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.71 40.72 7.57 Favored Glycine 0 C--N 1.35 1.353 0 C-N-CA 122.81 0.243 . . . . 75.03 112.774 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -120.95 134.85 55.31 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.484 0.714 . . . . 75.14 109.393 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.51 93.78 3.6 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.501 -0.925 . . . . 71.42 108.501 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.453 HG21 ' HB3' ' A' ' 80' ' ' LEU . 15.3 t -108.51 131.43 59.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.549 -0.75 . . . . 73.31 109.296 -174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -121.41 159.55 25.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.32 0.648 . . . . 75.25 110.29 172.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 48.9 mtpt -96.74 154.9 17.02 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.681 -1.145 . . . . 71.1 109.554 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -160.28 151.43 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.585 -0.734 . . . . 73.21 109.977 168.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.7 p -120.32 -39.98 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.431 1.093 . . . . 75.11 110.141 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.11 157.2 18.4 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.916 0.886 . . . . 72.32 111.933 -169.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.54 -50.18 40.23 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.867 1.267 . . . . 75.21 111.735 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 5.9 pt-20 -62.08 -43.13 99.5 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 124.254 0.971 . . . . 75.01 109.362 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 111' ' ' GLU . 8.9 tp10 -69.18 -35.57 76.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 114.475 -1.239 . . . . 74.23 110.512 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -56.81 -50.61 71.85 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.512 0.725 . . . . 64.2 110.686 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.78 -40.55 95.57 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.965 0.791 . . . . 74.41 110.26 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.26 -45.05 74.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.941 0.896 . . . . 72.42 112.552 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.28 -32.05 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.589 0.356 . . . . 75.04 110.533 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 113' ' ' ALA . 65.1 t -61.36 -45.83 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 109.536 -0.542 . . . . 73.53 109.536 172.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -67.62 -22.44 65.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.349 0.66 . . . . 74.14 111.499 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.73 -48.98 57.49 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.953 0.501 . . . . 71.22 109.893 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.421 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.5 m-85 -58.85 -43.15 90.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.92 0.888 . . . . 73.42 111.785 176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.456 ' HE1' HG11 ' A' ' 117' ' ' VAL . 71.5 mtm -73.57 -27.04 61.11 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.629 0.772 . . . . 73.41 111.809 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -68.54 -43.83 75.83 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.24 0.616 . . . . 74.24 110.262 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.75 -46.0 73.36 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.428 -0.805 . . . . 74.23 109.524 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.81 74.64 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.141 -0.936 . . . . 62.24 110.761 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.298 0 O-C-N 123.734 0.646 . . . . 71.54 112.583 178.561 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.852 -0.425 . . . . 71.44 109.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt 178.11 125.36 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.563 1.545 . . . . 70.05 107.259 164.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.47 126.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 123.351 0.66 . . . . 72.14 109.376 -167.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 mt -110.57 106.86 16.28 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.346 -1.353 . . . . 75.21 107.346 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.8 103.74 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.59 -1.263 . . . . 75.3 107.59 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.59 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.01 124.65 34.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.752 -1.203 . . . . 75.52 107.752 -172.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 55' ' ' LEU . 64.7 mt -132.19 121.54 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.33 0.652 . . . . 74.31 109.387 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB3' HD21 ' A' ' 82' ' ' LEU . 23.8 t-20 -109.0 117.3 33.85 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 107.585 -1.265 . . . . 75.43 107.585 170.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.523 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.2 t -124.01 147.56 47.7 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.391 0.677 . . . . 72.21 109.328 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -83.32 -17.15 43.43 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.189 0.595 . . . . 72.33 110.906 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.592 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.7 m120 -109.11 134.6 51.49 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.825 0.45 . . . . 70.54 111.176 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.22 -24.91 64.98 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.094 0.958 . . . . 71.53 110.975 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 22.9 mt-10 -57.32 -48.11 79.82 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.885 0.874 . . . . 75.52 110.016 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.4 mm? -61.41 -37.5 83.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.544 -0.753 . . . . 74.43 111.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.493 HG23 ' HE2' ' A' ' 19' ' ' LYS . 54.8 mt -56.24 -51.68 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 123.665 0.603 . . . . 73.34 110.543 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 63.1 pttt -73.11 -33.87 65.82 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.671 -0.695 . . . . 75.3 111.995 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 50.3 mtpt -66.45 -41.23 89.4 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 110.29 -0.263 . . . . 75.55 110.29 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -39.01 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.012 0.925 . . . . 75.31 110.326 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 61.6 mttm -54.9 -36.09 64.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.945 0.498 . . . . 70.0 111.204 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -79.6 -42.71 24.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.156 0.583 . . . . 75.5 110.659 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.78 -33.4 61.33 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.914 0.886 . . . . 73.44 112.812 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.0 m -107.66 -1.73 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.114 0.566 . . . . 75.53 111.887 -173.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.8 -42.26 97.73 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.162 0.985 . . . . 54.04 110.553 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.44 -2.25 58.28 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.271 -0.877 . . . . 64.12 111.469 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 31.5 mm-40 -102.66 -10.65 19.04 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.262 0.625 . . . . 74.42 111.987 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.77 62.07 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 114.508 0.563 . . . . 62.44 114.508 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -106.25 111.28 23.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.295 0.638 . . . . 75.31 109.453 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.16 107.79 7.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.947 0.899 . . . . 74.24 110.673 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.87 135.54 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.661 0.784 . . . . 73.01 109.945 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 56' ' ' ILE . 17.5 mmm180 -124.5 112.08 16.45 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.08 1.352 . . . . 70.02 107.748 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -94.73 116.98 29.4 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.384 -0.969 . . . . 75.12 108.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG11 HD13 ' A' ' 63' ' ' LEU . 30.0 t -115.55 114.05 45.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 108.309 -0.997 . . . . 71.02 108.309 -176.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.5 14.83 4.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.634 0.774 . . . . 74.42 110.819 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.39 142.54 27.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.267 0.627 . . . . 72.1 109.495 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.4 p -60.9 -36.62 79.73 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.517 1.127 . . . . 63.33 113.564 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.28 -45.29 92.1 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.43 0.456 . . . . 62.44 110.166 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 17.4 mm-40 -60.92 -40.49 93.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.225 0.953 . . . . 71.44 110.416 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.51 HD12 ' HE3' ' A' ' 67' ' ' MET . 1.5 tp -54.62 -58.58 6.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.414 1.086 . . . . 72.21 110.653 172.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.32 -23.12 65.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.998 0.919 . . . . 73.33 112.697 -172.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.08 -60.56 2.32 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.065 0.546 . . . . 73.41 110.451 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 8.3 pt-20 -77.51 -28.77 52.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.545 0.572 . . . . 73.21 112.545 -166.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.479 ' HE2' HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.5 -37.34 77.15 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 120.785 0.326 . . . . 74.34 110.319 -178.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -60.71 -33.11 72.39 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 115.923 -0.581 . . . . 75.21 110.15 172.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.4 -31.91 70.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.031 0.533 . . . . 73.24 110.931 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.51 -27.69 68.65 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 110.311 -0.255 . . . . 74.11 110.311 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.62 -39.56 16.01 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.227 0.611 . . . . 74.35 111.493 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -84.15 -21.3 31.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.742 0.817 . . . . 73.12 112.111 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -93.63 106.88 18.81 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 106.587 -1.635 . . . . 75.2 106.587 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -74.78 -5.61 44.38 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.338 0.655 . . . . 75.3 111.531 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -61.1 138.23 58.21 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.611 0.764 . . . . 72.53 111.974 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -80.42 85.45 5.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.504 -0.771 . . . . 72.23 109.087 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.74 143.16 38.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.492 0.717 . . . . 71.24 111.337 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -84.5 98.99 10.42 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.753 1.221 . . . . 73.31 108.657 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 mm -117.08 147.38 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.535 0.683 . . . . 72.15 109.469 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 7' ' ' ILE . 10.4 tt -127.52 122.72 34.09 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 106.314 -1.735 . . . . 74.24 106.314 174.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.59 ' HB ' HD23 ' A' ' 6' ' ' LEU . 27.4 mm -104.66 111.0 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.933 -0.765 . . . . 74.51 108.933 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.4 mt -94.1 124.21 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.777 -1.194 . . . . 71.52 107.777 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -139.03 116.66 11.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.061 -1.459 . . . . 73.5 107.061 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 15' ' ' ILE . 2.2 m-20 -87.24 -0.99 57.57 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.704 0.802 . . . . 72.4 110.547 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.24 109.52 21.54 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.223 -1.399 . . . . 61.34 107.223 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.79 -25.25 65.5 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.011 0.925 . . . . 72.23 111.941 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 56.5 tp60 -66.34 -44.56 82.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.7 0.4 . . . . 71.14 110.023 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD13 HG11 ' A' ' 32' ' ' VAL . 81.7 mt -68.31 -30.82 69.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.152 0.581 . . . . 73.31 110.743 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.488 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 9.4 tt -63.88 -46.61 84.12 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.03 0.532 . . . . 75.05 110.045 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 53.0 mtpt -55.09 -54.2 46.19 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.876 0.735 . . . . 75.21 110.103 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.99 -43.88 86.82 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.796 1.31 . . . . 73.2 110.427 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.51 ' HE3' HD12 ' A' ' 38' ' ' LEU . 59.3 tpp -56.08 -52.27 64.88 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.752 1.282 . . . . 73.2 110.436 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.635 HD23 HD13 ' A' ' 71' ' ' ILE . 78.0 mt -67.77 -31.57 71.55 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.187 0.595 . . . . 74.35 112.312 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 23.2 mm-40 -64.75 -48.15 75.6 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.251 -0.648 . . . . 70.44 109.251 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB3' ' SD ' ' A' ' 42' ' ' MET . 20.3 mt -56.43 -44.69 80.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.379 1.072 . . . . 75.1 110.552 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.635 HD13 HD23 ' A' ' 68' ' ' LEU . 86.8 mt -64.85 -40.09 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.724 0.81 . . . . 64.24 110.651 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -65.46 -33.94 77.11 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.802 0.689 . . . . 74.0 111.057 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 60.5 mmtt -70.83 -26.72 63.42 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.348 0.405 . . . . 75.32 110.433 177.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 ' HE2' ' A' ' 42' ' ' MET . 58.6 mt -93.63 -20.77 19.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.162 0.985 . . . . 75.21 111.151 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.9 43.55 97.37 Favored Glycine 0 C--N 1.348 1.235 0 O-C-N 123.723 0.639 . . . . 54.24 114.066 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.55 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.1 m-30 -86.99 146.26 26.2 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 117.161 0.48 . . . . 72.23 110.192 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.53 126.29 30.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.914 -0.402 . . . . 74.42 109.914 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.424 ' CG2' HG22 ' A' ' 71' ' ' ILE . 93.9 t -121.43 138.27 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.87 0.868 . . . . 71.21 110.551 -177.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.36 114.73 22.27 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 106.717 -1.586 . . . . 75.53 106.717 166.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 66.6 tp -104.74 129.5 52.96 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.108 0.963 . . . . 75.15 112.06 -170.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 HD11 HG22 ' A' ' 116' ' ' ILE . 52.6 tp -118.82 112.97 20.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.375 1.07 . . . . 75.55 108.8 172.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 8' ' ' ASN . 94.6 mt -99.6 130.37 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.452 0.701 . . . . 74.33 109.819 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.523 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 51.3 tt0 -131.0 104.33 7.06 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.263 -1.014 . . . . 74.1 108.263 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.562 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 10.3 t70 -137.17 140.9 42.13 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.439 -1.319 . . . . 72.53 107.439 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.61 -42.89 70.36 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.4 0.437 . . . . 75.54 110.547 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.57 114.67 25.43 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.582 -0.896 . . . . 74.51 108.582 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.2 mt-10 -79.5 -6.59 57.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.137 0.791 . . . . 74.34 113.137 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -74.87 -25.74 59.18 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.755 -0.832 . . . . 75.32 108.755 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.78 -56.94 3.43 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.663 0.785 . . . . 74.3 109.522 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.655 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 31.8 tp -52.32 -52.82 50.97 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.88 1.272 . . . . 71.32 112.889 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -70.35 -47.78 59.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.363 0.665 . . . . 65.45 111.277 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 40.3 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.127 0.571 . . . . 73.35 111.534 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.488 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 31.4 t80 -67.32 -40.98 86.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.879 0.872 . . . . 73.44 110.013 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HD2' ' HG3' ' A' ' 106' ' ' LYS . 28.0 tttm -57.13 -54.46 46.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.02 1.328 . . . . 72.33 111.298 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.486 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 11.2 ptm180 -71.17 -22.19 62.07 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.298 0.999 . . . . 74.43 111.73 -167.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 97.0 mttt -61.97 -46.51 88.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.477 0.656 . . . . 75.43 110.383 171.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.8 mt -83.7 -28.03 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.943 1.297 . . . . 74.43 110.741 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 41.5 tt0 -74.82 -33.74 62.23 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 75.43 109.784 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -65.47 -20.49 66.37 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.219 0.608 . . . . 73.43 110.935 174.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -87.83 1.68 53.34 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.002 0.921 . . . . 72.31 111.267 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.72 6.32 83.05 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-O 119.45 -0.639 . . . . 60.23 114.349 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.31 143.71 50.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 117.104 0.452 . . . . 74.34 109.952 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.56 94.82 0.79 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.764 -0.828 . . . . 71.23 108.764 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 HD21 ' A' ' 80' ' ' LEU . 38.5 t -111.17 125.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.104 0.562 . . . . 73.11 109.549 -176.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -119.49 143.58 47.47 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.835 0.854 . . . . 75.11 109.497 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 50.8 mtmt -96.52 153.26 17.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.754 -0.832 . . . . 74.04 108.754 170.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.52 148.28 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.675 0.609 . . . . 74.25 110.203 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 p -129.3 -11.66 4.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.502 1.121 . . . . 71.44 110.18 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 112' ' ' GLU . 19.9 m-20 -89.92 134.79 34.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.751 0.82 . . . . 54.44 109.468 174.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 6.2 p-10 -73.4 -40.98 63.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.628 0.371 . . . . 74.44 111.46 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 39.7 mt-10 -72.83 -41.0 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.365 0.666 . . . . 62.12 109.794 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . 13.7 tp10 -65.35 -38.14 89.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.992 0.807 . . . . 74.32 110.565 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.497 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -52.77 -47.65 67.36 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.633 0.773 . . . . 72.03 110.826 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.472 HD11 ' HE2' ' A' ' 17' ' ' LYS . 67.0 mt -60.59 -34.42 74.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 124.429 1.081 . . . . 73.25 111.265 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 10.7 mmpt? -76.04 -35.33 59.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.262 0.625 . . . . 73.1 110.689 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.466 HG22 HD11 ' A' ' 81' ' ' LEU . 24.2 mm -65.06 -35.72 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.071 0.549 . . . . 73.42 109.691 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 113' ' ' ALA . 44.8 t -62.72 -37.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 115.799 -0.637 . . . . 74.15 109.946 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -65.44 -35.12 79.98 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.091 0.556 . . . . 75.42 111.464 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.98 -53.99 52.13 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.278 -0.638 . . . . 65.32 109.278 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.425 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.4 m-30 -56.4 -44.88 80.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 114.55 -1.205 . . . . 74.21 112.507 -175.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.75 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.2 mtm -69.37 -36.11 76.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.45 0.7 . . . . 74.23 112.457 -178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.41 -35.18 58.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.852 0.461 . . . . 75.25 111.093 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.13 -40.46 52.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.502 0.721 . . . . 73.33 109.991 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.18 76.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.612 0.765 . . . . 74.34 110.313 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.01 -34.87 90.35 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 115.825 -0.625 . . . . 61.42 112.401 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.3 m -70.35 -21.97 62.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.808 0.843 . . . . 52.23 111.638 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.8 mt -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.146 0.978 . . . . 75.45 109.992 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -69.35 -65.19 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.957 0.903 . . . . 71.54 109.573 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -80.4 109.0 14.48 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 107.446 -1.316 . . . . 55.24 107.446 164.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -59.5 98.18 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.609 1.163 . . . . 71.41 112.155 -170.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -80.17 -175.22 4.93 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.3 -0.864 . . . . 73.21 109.392 167.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.38 153.32 43.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.789 0.436 . . . . 72.25 109.956 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -59.75 121.1 10.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.177 0.591 . . . . 74.03 111.676 -171.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 CA--C 1.554 1.119 0 C-N-CA 123.969 0.907 . . . . 71.14 109.323 178.209 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HB2' ' HD1' ' A' ' 51' ' ' PHE . 33.9 mtt . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 107.818 -1.179 . . . . 72.55 107.818 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' HZ3' ' HA ' ' A' ' 45' ' ' LEU . 50.6 mtpt -142.67 133.68 25.75 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.567 0.747 . . . . 71.4 109.391 174.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -98.46 114.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.936 -1.135 . . . . 64.53 107.936 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 78' ' ' VAL . 52.8 mt -113.88 111.07 21.12 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.73 -0.47 . . . . 63.15 109.73 -169.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 120' ' ' PHE . 31.2 mm -83.76 102.09 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 106.799 -1.556 . . . . 73.54 106.799 171.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.603 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.44 127.04 35.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.769 -1.567 . . . . 73.31 106.769 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.423 HD13 HD22 ' A' ' 55' ' ' LEU . 86.8 mt -133.54 117.75 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.243 -1.021 . . . . 75.13 108.243 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.621 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.4 t30 -106.72 109.46 21.37 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 108.037 -1.097 . . . . 61.03 108.037 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -128.83 130.46 46.97 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.578 -0.897 . . . . 71.33 108.578 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -87.65 -12.29 45.93 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.358 -0.608 . . . . 71.43 109.358 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.61 117.36 29.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.3 1.04 . . . . 71.11 109.874 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.36 -34.29 73.65 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.517 1.127 . . . . 62.44 112.17 -176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -58.12 -49.89 75.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.813 0.845 . . . . 74.21 110.03 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.2 mm? -71.96 -27.34 62.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.822 -0.626 . . . . 75.52 111.808 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.519 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 66.1 mt -58.54 -61.8 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.056 -0.72 . . . . 74.55 109.056 172.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 21.9 ptmt -63.11 -34.64 78.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.954 0.724 . . . . 72.42 112.954 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.69 -52.19 53.44 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.294 0.638 . . . . 73.52 111.237 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 HD11 ' HB1' ' A' ' 113' ' ' ALA . 78.0 mt -61.54 -34.96 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 115.533 -0.758 . . . . 75.01 110.751 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 49.3 mtmt -60.7 -37.33 81.32 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.491 0.316 . . . . 74.41 111.276 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -71.55 -44.09 65.19 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.763 0.425 . . . . 75.14 110.776 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -48.65 -45.2 38.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.588 0.755 . . . . 73.44 112.36 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.596 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 8.1 m -90.36 -18.03 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 115.406 -0.815 . . . . 72.4 112.356 -174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.72 -46.94 85.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.798 0.839 . . . . 75.53 110.546 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.09 -11.51 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.149 -0.932 . . . . 73.24 111.762 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -99.77 5.51 45.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.565 0.746 . . . . 75.44 110.819 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.91 33.07 78.67 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.168 0.827 . . . . 71.31 115.168 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.596 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 24.7 m-85 -94.93 114.02 25.81 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.357 0.663 . . . . 75.24 109.765 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -68.95 107.34 3.07 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.928 -1.033 . . . . 72.53 109.013 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.17 117.27 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.571 -0.741 . . . . 73.11 109.91 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HB2' HD13 ' A' ' 56' ' ' ILE . 25.8 mmm180 -116.69 109.14 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.523 -1.658 . . . . 74.34 106.523 173.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.21 141.96 33.34 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.25 -0.648 . . . . 73.44 109.25 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 63' ' ' LEU . 67.4 t -128.84 115.93 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.121 0.969 . . . . 64.04 108.647 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -118.57 -1.47 11.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.959 0.903 . . . . 74.44 110.357 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.87 149.19 36.56 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.501 0.721 . . . . 71.41 109.751 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -59.95 -34.69 73.6 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.924 0.89 . . . . 75.44 112.791 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.7 t70 -63.94 -44.74 91.93 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.519 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.93 -37.45 79.53 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 124.039 0.837 . . . . 73.44 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 66' ' ' GLU . 8.1 tt -58.55 -51.87 68.04 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.447 -1.251 . . . . 74.45 110.861 174.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.57 -24.57 63.71 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.437 0.695 . . . . 75.54 111.786 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 32.4 mmmt -65.21 -45.87 83.0 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 108.462 -0.94 . . . . 74.41 108.462 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 44.0 mm-40 -72.1 -30.71 65.35 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 115.513 -0.767 . . . . 64.11 112.876 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.474 ' HG3' HD12 ' A' ' 70' ' ' LEU . 35.9 mmt -61.18 -35.99 78.63 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 118.62 0.645 . . . . 62.34 110.687 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -62.12 -51.8 66.46 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.978 -1.01 . . . . 72.21 110.25 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -62.33 -33.61 75.03 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.692 1.197 . . . . 72.25 112.612 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 81.0 mt -67.15 -48.64 67.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.129 0.572 . . . . 71.44 110.422 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.14 72.91 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.578 -0.737 . . . . 72.43 111.802 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -90.73 -10.39 43.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.047 0.939 . . . . 73.11 112.261 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -109.38 117.92 35.29 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.161 -1.051 . . . . 75.12 108.161 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -97.67 -13.04 21.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.181 0.593 . . . . 74.05 111.18 -176.651 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -82.76 133.45 35.15 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.48 0.712 . . . . 73.02 110.159 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.473 ' HD1' ' HB2' ' A' ' 1' ' ' MET . 3.1 p90 -80.32 78.11 7.03 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 122.424 1.107 . . . . 73.44 110.301 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -88.44 158.64 18.3 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 113.93 -1.487 . . . . 75.12 109.133 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 27' ' ' TYR . 12.9 mptt -66.95 93.98 0.3 Allowed 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.034 -0.728 . . . . 73.11 109.034 171.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.69 115.29 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.372 -0.973 . . . . 70.45 108.372 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 6.5 tt -108.08 121.95 45.87 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.382 -1.34 . . . . 73.42 107.382 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.603 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.0 mm -105.11 111.43 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.55 -0.907 . . . . 75.54 108.55 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.0 mt -88.22 139.13 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.593 -0.891 . . . . 73.41 108.593 169.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 34.9 t -133.14 131.9 41.0 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.599 -1.26 . . . . 74.22 107.599 171.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -86.04 -27.6 24.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.253 0.549 . . . . 74.22 110.19 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.58 130.98 55.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.289 1.036 . . . . 72.2 110.067 -173.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -75.05 -19.72 59.88 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.568 0.747 . . . . 74.14 112.621 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 55.4 tp60 -77.18 -37.35 53.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.139 -0.689 . . . . 73.21 109.139 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD11 HG11 ' A' ' 32' ' ' VAL . 56.4 mt -62.01 -38.81 90.06 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 109.5 -0.555 . . . . 73.42 109.5 171.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 8' ' ' ASN . 3.4 tp -58.96 -43.38 91.29 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.165 -0.47 . . . . 72.13 111.182 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -57.19 -57.5 12.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.865 0.466 . . . . 72.45 110.627 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' A' ' 38' ' ' LEU . 4.7 mm-40 -55.28 -45.14 76.18 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 124.186 0.929 . . . . 65.41 109.808 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.475 ' O ' HG13 ' A' ' 71' ' ' ILE . 37.2 tpp -51.3 -63.91 0.98 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.14 1.376 . . . . 55.41 110.573 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.23 -32.09 72.89 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.468 1.107 . . . . 71.41 112.927 -170.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.81 -34.16 57.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.769 0.428 . . . . 73.42 110.105 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HG3' ' A' ' 42' ' ' MET . 59.1 mt -72.97 -28.76 62.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.125 0.57 . . . . 73.5 110.675 171.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 67' ' ' MET . 84.1 mt -77.89 -24.91 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.102 0.561 . . . . 73.02 110.318 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.9 t -63.14 -43.6 97.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.357 0.663 . . . . 75.11 110.693 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -19.29 59.14 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.356 -0.384 . . . . 73.04 111.336 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 71' ' ' ILE . 76.6 mt -78.52 -28.73 46.27 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.459 0.704 . . . . 74.42 110.669 172.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.83 58.84 7.72 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 123.483 0.563 . . . . 72.24 113.817 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.472 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 21.7 m-85 -107.25 161.23 14.97 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.178 0.591 . . . . 73.33 111.902 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.506 ' HG2' HD11 ' A' ' 127' ' ' LEU . 56.0 tptt -89.6 96.24 10.61 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.006 -0.997 . . . . 73.12 108.654 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 4' ' ' LEU . 67.1 t -105.37 127.74 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.572 0.749 . . . . 75.44 111.27 -174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.26 113.77 27.53 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 107.163 -1.421 . . . . 72.5 107.163 171.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 6' ' ' LEU . 42.2 tp -104.22 136.43 43.84 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.138 0.575 . . . . 75.33 111.594 -173.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 116' ' ' ILE . 40.7 tp -118.37 113.26 21.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.52 1.128 . . . . 72.13 108.597 170.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD12 HD11 ' A' ' 97' ' ' ILE . 39.5 mt -98.31 119.99 37.94 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.383 0.673 . . . . 74.05 110.698 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -114.84 136.71 52.79 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.217 1.007 . . . . 61.04 108.655 171.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HB2' HD13 ' A' ' 90' ' ' LEU . 3.1 t70 -142.11 178.45 7.54 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.193 -1.04 . . . . 73.33 108.193 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -96.48 -37.31 10.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.609 0.764 . . . . 75.2 109.508 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -109.38 135.02 51.11 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.863 0.865 . . . . 74.33 110.673 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.99 -36.07 69.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.106 0.963 . . . . 74.14 111.822 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.79 -51.8 68.2 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.787 0.68 . . . . 54.41 110.913 -173.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.83 -32.49 52.21 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.808 0.693 . . . . 72.4 110.982 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 84' ' ' ASP . 26.1 tp -56.47 -48.12 77.77 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.568 0.747 . . . . 72.14 110.414 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 13.4 tp10 -67.98 -51.91 41.96 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.151 0.98 . . . . 73.42 110.471 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -47.51 -45.3 26.39 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.976 1.71 . . . . 75.3 111.151 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.74 -35.67 44.36 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.888 -1.505 . . . . 75.21 112.026 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.37 -40.41 97.18 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.06 0.944 . . . . 74.12 111.04 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 74.2 mtp180 -60.26 -34.36 73.6 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.239 1.016 . . . . 73.21 111.494 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.63 -47.77 74.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.086 0.955 . . . . 75.22 110.814 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.479 HD11 HD12 ' A' ' 82' ' ' LEU . 49.5 mt -76.58 -30.77 19.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 114.868 -1.06 . . . . 74.2 111.007 -174.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.43 -35.26 80.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.61 -0.723 . . . . 75.42 109.962 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -71.69 -20.89 61.86 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.588 0.755 . . . . 73.33 111.118 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.91 -6.28 50.12 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.395 0.678 . . . . 75.21 111.23 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.27 5.05 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.919 0.295 . . . . 71.21 112.402 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -119.58 141.26 49.42 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.465 0.706 . . . . 75.42 109.388 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.65 91.26 1.86 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.733 -1.21 . . . . 74.44 107.733 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.85 123.54 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.313 -0.625 . . . . 75.44 109.313 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -117.5 148.98 41.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 73.33 108.866 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HE3' ' HG ' ' A' ' 90' ' ' LEU . 51.6 mtpt -97.0 157.34 15.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.701 0.8 . . . . 72.53 110.105 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -159.79 144.68 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.618 0.767 . . . . 74.12 110.358 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.5 p -137.56 -12.09 1.57 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.684 0.794 . . . . 74.44 110.89 166.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -93.42 144.29 25.48 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.302 0.573 . . . . 75.34 112.245 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.56 ' HA ' HD11 ' A' ' 14' ' ' LEU . 19.6 t70 -58.69 -58.07 10.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.178 1.391 . . . . 70.44 113.059 -175.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.99 -36.14 83.44 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.531 0.732 . . . . 74.04 111.344 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.6 tt0 -62.74 -42.85 99.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.541 1.136 . . . . 73.31 110.821 -174.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 18' ' ' ILE . . . -53.79 -44.81 70.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.752 0.821 . . . . 74.44 111.425 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 25.3 mt -62.1 -46.96 86.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.275 0.984 . . . . 73.21 109.74 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 99.5 mttt -61.17 -43.19 99.28 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.382 1.073 . . . . 74.5 112.602 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 112' ' ' GLU . 16.5 mm -65.33 -40.11 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 121.28 0.562 . . . . 73.01 109.823 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.5 t -65.98 -36.1 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 114.999 -1.001 . . . . 72.32 110.808 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 96.8 mtt180 -60.34 -36.66 78.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.254 0.621 . . . . 74.31 110.817 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.734 ' HB3' ' HZ1' ' A' ' 123' ' ' LYS . 31.4 mt-10 -67.06 -47.02 72.57 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 115.877 -0.601 . . . . 73.43 110.928 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.503 ' HB3' HD13 ' A' ' 5' ' ' ILE . 14.4 m-30 -60.21 -41.62 93.39 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.52 0.728 . . . . 74.34 111.962 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.549 ' SD ' HG12 ' A' ' 22' ' ' VAL . 79.4 mtm -65.03 -38.72 91.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.59 0.756 . . . . 73.53 111.246 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -66.18 -39.23 89.56 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.635 0.774 . . . . 74.44 111.533 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.734 ' HZ1' ' HB3' ' A' ' 119' ' ' GLU . 60.8 mttp -75.15 -46.33 35.0 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.706 0.803 . . . . 73.21 111.245 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.14 91.91 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.52 1.128 . . . . 74.14 112.42 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -25.12 60.99 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.983 0.802 . . . . 72.02 114.05 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.7 m -76.67 -37.13 56.73 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.432 0.693 . . . . 74.42 111.007 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.506 HD11 ' HG2' ' A' ' 77' ' ' LYS . 52.1 mt -74.24 -20.87 60.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.878 0.871 . . . . 75.44 111.894 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.89 -26.09 67.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.752 0.821 . . . . 72.31 111.589 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -85.22 16.48 3.57 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.243 0.617 . . . . 73.33 110.99 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -110.57 85.36 2.1 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 108.061 -1.089 . . . . 61.32 108.061 168.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -86.97 -23.71 24.97 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.242 -0.89 . . . . 75.24 110.498 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.12 27.99 2.01 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 44.42 110.473 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.41 -22.84 65.37 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.123 0.969 . . . . 72.13 111.39 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 108.31 -0.996 . . . . 75.52 108.31 159.569 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.0 mtm . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 110.194 -0.299 . . . . 75.44 110.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER 76.57 115.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.36 1.864 . . . . 63.34 109.654 -162.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 127' ' ' LEU . 29.6 mt -106.24 141.32 21.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 124.756 1.223 . . . . 75.11 108.099 171.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 47.7 mt -109.47 107.29 17.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.019 -1.104 . . . . 75.13 108.019 -174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.1 mm -83.37 106.15 13.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.836 -1.542 . . . . 75.41 106.836 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.582 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.29 124.15 36.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.955 -1.498 . . . . 74.51 106.955 -176.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.67 120.59 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 108.636 -0.875 . . . . 73.43 108.636 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.1 t30 -120.14 112.8 19.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 107.453 -1.314 . . . . 74.11 107.453 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -118.63 146.64 44.49 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.486 0.714 . . . . 63.44 109.987 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -84.53 -29.71 25.72 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.984 0.914 . . . . 75.0 109.024 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.02 120.12 39.73 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.739 0.816 . . . . 72.45 110.768 -175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.14 -40.28 89.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.674 1.361 . . . . 74.45 114.674 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.88 -25.79 67.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.315 0.246 . . . . 73.14 111.279 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HG ' ' OE1' ' A' ' 83' ' ' GLN . 4.1 mm? -66.28 -32.96 74.69 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 122.769 0.428 . . . . 74.55 111.586 178.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.0 mt -57.8 -61.57 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 109.365 -0.606 . . . . 74.51 109.365 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.68 -31.49 71.63 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.922 0.764 . . . . 72.24 112.343 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.63 -51.46 19.49 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.169 0.588 . . . . 74.44 111.712 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.68 -31.92 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.766 0.826 . . . . 74.11 111.127 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HD2' HG11 ' A' ' 29' ' ' VAL . 28.6 mmmt -44.83 -49.65 10.7 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.718 1.207 . . . . 74.43 111.006 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.19 -40.82 19.18 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.289 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -47.25 -39.7 14.9 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 123.653 0.781 . . . . 74.13 112.227 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG23 HD12 ' A' ' 55' ' ' LEU . 6.9 m -102.65 -22.61 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.422 -0.808 . . . . 74.25 112.819 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.67 -47.97 80.81 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.481 0.712 . . . . 75.12 110.598 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -71.46 -16.32 62.36 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.919 -1.037 . . . . 71.31 111.985 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.49 4.23 51.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.535 0.734 . . . . 75.42 111.906 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.27 67.03 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.607 -0.269 . . . . 73.05 113.679 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.9 110.72 23.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.226 -1.027 . . . . 75.44 108.226 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.13 106.25 1.93 Allowed 'General case' 0 C--N 1.35 0.615 0 O-C-N 123.767 0.667 . . . . 64.53 109.551 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG11 ' HD2' ' A' ' 19' ' ' LYS . 2.4 t -78.53 125.45 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 121.16 0.505 . . . . 71.32 109.926 -173.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HB2' HD13 ' A' ' 56' ' ' ILE . 21.0 mmm180 -126.41 152.83 45.82 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 125.853 1.661 . . . . 74.33 107.421 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.83 143.07 40.81 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.367 -0.605 . . . . 72.14 109.367 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.84 118.19 48.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 124.337 1.055 . . . . 61.41 108.581 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -127.8 21.02 6.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.695 0.798 . . . . 73.44 109.807 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -150.75 139.76 21.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.811 0.844 . . . . 73.31 110.174 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -68.37 -36.85 79.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.895 0.878 . . . . 74.35 113.249 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.95 -34.22 77.48 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.686 0.394 . . . . 73.31 110.298 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mm-40 -65.02 -46.82 79.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.396 -0.82 . . . . 74.41 110.559 172.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.84 -44.05 69.99 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.458 1.103 . . . . 75.14 111.805 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -64.33 -39.97 94.95 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.135 -0.939 . . . . 74.24 110.688 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 10.4 mtmp? -76.11 -22.83 55.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.302 0.641 . . . . 74.33 112.218 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 14.7 mm-40 -61.04 -53.33 58.45 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.786 -0.82 . . . . 73.11 108.786 168.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.481 ' HG3' HD12 ' A' ' 70' ' ' LEU . 24.4 mmt -61.08 -25.06 66.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.886 -1.052 . . . . 71.11 112.735 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -59.0 -55.86 29.71 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 123.751 0.657 . . . . 72.53 109.438 170.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -73.92 -32.53 63.58 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.888 0.875 . . . . 75.32 111.871 -172.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.5 mt -66.29 -29.82 70.11 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.692 0.797 . . . . 72.44 110.565 177.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -93.79 -30.0 15.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.517 0.727 . . . . 65.1 111.904 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.61 -26.84 61.83 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.212 0.605 . . . . 72.44 110.582 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.6 143.09 32.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.678 -0.86 . . . . 74.11 108.678 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -128.98 -5.28 5.03 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.482 0.713 . . . . 75.35 111.649 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.45 169.9 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.646 0.736 . . . . 74.51 111.041 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -90.73 30.83 1.12 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.61 -1.177 . . . . 74.21 111.474 -170.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 38.9 mt-10 -82.58 97.28 8.39 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.566 0.746 . . . . 72.3 109.83 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -71.2 131.07 42.98 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.189 0.596 . . . . 75.35 111.164 -174.126 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 20.0 mm -111.52 148.06 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 108.468 -0.938 . . . . 74.01 108.468 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD12 HG23 ' A' ' 22' ' ' VAL . 9.5 tt -118.65 125.57 50.03 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 107.758 -1.201 . . . . 74.25 107.758 174.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' HB ' HD22 ' A' ' 6' ' ' LEU . 26.0 mm -110.98 114.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 109.39 -0.596 . . . . 72.34 109.39 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.93 124.99 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.435 -0.95 . . . . 71.33 108.435 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 45.3 t -124.95 146.31 49.43 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.874 -1.158 . . . . 64.02 107.874 172.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -109.26 -0.23 19.28 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.909 0.483 . . . . 75.1 110.827 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.96 133.39 53.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.613 0.765 . . . . 50.11 109.873 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -73.91 -26.84 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.782 0.833 . . . . 71.15 112.389 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -73.2 -39.75 65.3 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 110.038 -0.356 . . . . 74.55 110.038 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.0 -43.74 98.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.105 0.562 . . . . 65.25 109.669 171.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -58.77 -45.07 90.63 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.402 -0.817 . . . . 64.23 111.219 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -59.06 -59.29 5.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 74.44 110.959 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.042 0.839 . . . . 73.34 111.103 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.477 ' O ' HG13 ' A' ' 71' ' ' ILE . 35.4 tpp -53.08 -63.62 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.551 1.157 . . . . 75.42 110.275 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD22 HG11 ' A' ' 78' ' ' VAL . 59.8 mt -64.7 -34.2 77.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.595 0.758 . . . . 75.53 112.538 -171.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.48 -37.67 80.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.28 0.632 . . . . 73.41 111.102 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HG3' ' A' ' 42' ' ' MET . 84.9 mt -71.61 -35.26 70.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.938 0.495 . . . . 64.21 110.999 175.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 67' ' ' MET . 77.7 mt -65.56 -34.38 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.421 0.689 . . . . 72.41 110.209 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.1 m -65.06 -32.02 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.688 -0.687 . . . . 60.03 110.783 174.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -78.62 -26.02 45.23 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.338 0.655 . . . . 71.02 110.784 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 46' ' ' ALA . 88.0 mt -79.02 -24.4 43.69 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 70.5 110.552 175.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.05 37.02 13.34 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 116.055 -0.521 . . . . 63.04 113.077 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -113.6 159.69 19.35 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.19 0.596 . . . . 73.2 110.204 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -102.61 136.59 42.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.532 -0.914 . . . . 73.11 108.532 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG11 HD22 ' A' ' 68' ' ' LEU . 52.5 t -109.7 140.79 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.484 1.114 . . . . 74.11 110.71 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.29 115.08 28.72 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.537 -1.653 . . . . 73.03 106.537 165.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 6' ' ' LEU . 47.2 tp -109.68 124.45 51.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.131 0.572 . . . . 74.2 110.588 -170.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -108.33 113.36 26.38 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.649 -0.871 . . . . 73.45 108.649 170.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.61 114.0 27.65 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.554 -0.906 . . . . 74.33 108.554 172.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG3' HG12 ' A' ' 107' ' ' VAL . 48.7 tt0 -110.02 117.62 34.25 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.775 -0.824 . . . . 71.1 108.775 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -138.66 168.44 19.78 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.414 -0.587 . . . . 74.13 109.414 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -90.86 -13.17 34.22 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.361 0.664 . . . . 71.03 111.526 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.63 121.1 37.59 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.689 0.796 . . . . 64.25 109.123 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.03 -23.33 44.39 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.967 0.907 . . . . 63.12 113.374 -176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -71.29 -49.27 44.6 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.537 0.608 . . . . 73.32 109.962 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.74 -33.66 75.31 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.876 -0.602 . . . . 64.01 109.977 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.59 -44.67 95.74 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.429 -1.26 . . . . 73.34 110.997 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.593 ' HB2' ' HZ1' ' A' ' 106' ' ' LYS . 14.5 tp10 -68.4 -49.69 58.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.885 0.874 . . . . 51.44 111.079 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 47.5 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.574 0.75 . . . . 72.22 112.104 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.42 -35.79 73.62 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.328 0.392 . . . . 73.52 110.527 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.99 -52.9 63.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.409 0.684 . . . . 70.24 111.603 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -66.09 -22.7 66.42 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.86 0.725 . . . . 74.11 112.513 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.3 mttm -63.33 -44.94 93.45 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.831 0.824 . . . . 70.34 110.703 171.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 60.8 mt -83.65 -26.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 114.422 -1.263 . . . . 74.21 111.289 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.64 -24.18 67.5 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.11 1.364 . . . . 72.21 110.87 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -67.32 -19.18 65.42 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.51 1.124 . . . . 64.21 112.365 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.99 1.17 45.0 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.548 0.739 . . . . 73.13 112.276 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.83 31.79 55.1 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-O 121.18 0.322 . . . . 71.11 112.922 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -109.26 129.24 55.51 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.627 0.771 . . . . 74.33 108.929 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.17 97.07 0.5 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 109.557 -0.534 . . . . 65.33 109.557 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 80' ' ' LEU . 21.5 t -100.1 135.92 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.474 -0.935 . . . . 73.25 108.474 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.3 tpt180 -118.95 151.49 38.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.209 0.604 . . . . 74.25 110.707 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.593 ' HZ1' ' HB2' ' A' ' 91' ' ' GLU . 56.4 mtpt -97.35 140.88 31.15 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.15 0.98 . . . . 73.14 108.843 168.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.42 HG12 ' HG3' ' A' ' 83' ' ' GLN . 14.0 p -156.27 142.56 10.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 O-C-N 123.498 0.499 . . . . 74.43 110.04 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.9 p -122.73 -29.36 4.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.663 1.185 . . . . 74.52 109.88 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.15 129.08 34.08 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 74.41 109.258 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -67.74 -43.16 80.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.587 0.755 . . . . 74.1 111.016 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.32 -38.24 87.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.956 -0.565 . . . . 64.23 110.55 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.1 tp10 -68.66 -37.94 80.04 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.523 -0.762 . . . . 73.22 109.838 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -54.84 -45.98 74.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.854 0.862 . . . . 64.42 112.11 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.73 -45.33 77.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.992 0.917 . . . . 73.21 110.833 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.71 -43.99 97.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.603 -1.181 . . . . 65.44 111.165 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 105' ' ' ARG . 33.4 mm -66.51 -37.24 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.902 0.481 . . . . 74.52 111.024 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 113' ' ' ALA . 81.5 t -58.3 -44.14 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.125 0.57 . . . . 71.41 110.389 175.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.51 -24.92 64.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.831 -1.077 . . . . 73.54 111.245 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.61 -48.51 54.72 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.494 0.318 . . . . 73.45 110.168 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -57.05 -39.1 74.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.751 0.82 . . . . 64.13 112.4 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.411 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -67.02 -41.28 86.91 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.909 0.755 . . . . 75.13 111.322 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.13 -41.36 97.24 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.203 0.601 . . . . 73.2 110.856 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.82 -39.57 56.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.09 0.956 . . . . 72.44 111.024 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.34 -38.78 43.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.853 0.861 . . . . 73.3 111.945 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -51.45 -32.56 30.87 Favored Glycine 0 CA--C 1.537 1.456 0 O-C-N 124.488 1.118 . . . . 71.01 115.178 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.2 p -68.6 -54.28 17.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.183 0.593 . . . . 54.15 110.985 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.503 ' HB2' HD11 ' A' ' 3' ' ' ILE . 57.4 mt -73.85 -25.75 60.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.274 0.629 . . . . 74.2 110.137 -175.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.451 ' HG2' ' HD2' ' A' ' 53' ' ' LYS . 10.5 tp10 -68.29 -55.31 12.56 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.875 1.27 . . . . 71.11 110.72 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -67.82 -10.44 52.93 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 115.644 -0.707 . . . . 75.35 111.633 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -107.42 -176.65 3.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.718 1.207 . . . . 74.31 109.982 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -92.07 -72.09 0.61 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.777 -0.453 . . . . 75.12 109.777 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -132.42 133.34 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.11 0.481 . . . . 74.31 110.944 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -111.15 -8.48 14.4 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 107.946 -1.131 . . . . 75.03 107.946 160.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 125.725 1.61 . . . . 75.12 107.437 179.61 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 tpp . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.437 -0.579 . . . . 75.21 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -159.86 146.17 15.97 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.142 0.577 . . . . 64.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.89 128.84 75.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 123.974 0.91 . . . . 73.53 108.637 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 68.2 mt -116.9 136.84 52.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.207 -1.034 . . . . 63.32 108.207 174.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HB ' HD11 ' A' ' 55' ' ' LEU . 21.9 mm -104.97 110.92 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.562 -1.273 . . . . 74.4 107.562 173.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.659 HD22 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -94.33 127.39 40.17 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.309 -1.367 . . . . 74.21 107.309 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -131.19 118.91 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.402 -0.592 . . . . 72.23 109.402 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.438 ' HB3' HD23 ' A' ' 82' ' ' LEU . 21.4 t-20 -111.18 118.5 36.13 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.749 -1.204 . . . . 72.12 107.749 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -125.66 145.8 50.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.557 -0.905 . . . . 74.34 108.557 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.62 -28.35 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.385 0.428 . . . . 72.25 110.399 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' HB3' HD23 ' A' ' 14' ' ' LEU . 38.4 t-20 -102.7 135.87 43.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.856 0.863 . . . . 70.34 110.799 -166.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.04 -30.33 71.3 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.147 0.979 . . . . 74.3 111.883 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.95 -51.09 70.55 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.759 0.662 . . . . 71.41 109.979 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 110' ' ' ASP . 4.0 mm? -64.78 -35.61 81.65 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.474 -0.785 . . . . 73.01 111.264 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.4 mt -56.12 -63.44 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 109.593 -0.521 . . . . 75.54 109.593 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -65.05 -31.31 72.47 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.451 0.7 . . . . 72.42 112.881 -172.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -69.77 -49.21 55.16 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.921 0.489 . . . . 74.04 110.91 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.78 -33.98 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.344 0.658 . . . . 72.34 110.764 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.9 mtpt -58.36 -38.48 77.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.184 0.593 . . . . 72.34 110.823 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.16 -42.5 55.89 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.895 0.478 . . . . 73.42 110.852 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -50.2 -37.38 34.94 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.973 0.909 . . . . 75.11 112.474 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 29' ' ' VAL . 10.3 m -102.35 -17.93 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.116 0.566 . . . . 73.01 112.345 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.8 -50.23 74.62 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.061 0.945 . . . . 73.11 109.97 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.95 6.42 13.38 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.699 -1.137 . . . . 74.43 111.81 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -113.81 13.18 18.41 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.198 0.999 . . . . 73.24 111.67 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.22 72.72 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.636 0.615 . . . . 72.13 114.636 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -98.34 115.6 28.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.382 -0.97 . . . . 74.51 108.382 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.98 103.77 0.63 Allowed 'General case' 0 C--O 1.243 0.755 0 O-C-N 123.987 0.804 . . . . 64.34 109.474 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 22' ' ' VAL . 3.0 t -76.89 119.21 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.286 -0.87 . . . . 64.5 110.396 -170.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.53 144.44 51.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.815 1.246 . . . . 74.34 108.14 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -141.95 138.17 31.76 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.877 -0.786 . . . . 65.14 108.877 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 HD11 ' A' ' 63' ' ' LEU . 53.2 t -98.73 115.89 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 114.792 -1.095 . . . . 62.02 108.762 -173.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.34 -38.59 30.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.207 0.603 . . . . 74.24 111.594 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.31 165.03 29.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.857 0.863 . . . . 70.22 110.902 -163.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 38.0 t -53.41 -40.03 64.77 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.547 1.139 . . . . 74.22 112.697 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 23.5 m-20 -66.84 -40.07 87.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.172 -0.442 . . . . 74.35 110.83 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -58.94 -39.63 82.19 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.309 0.644 . . . . 73.14 110.083 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.7 tp -56.15 -61.3 2.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.234 1.014 . . . . 72.45 110.209 174.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.33 -28.32 69.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.174 -0.921 . . . . 71.01 111.697 -171.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 74.3 mmtt -70.39 -53.24 17.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.248 0.619 . . . . 74.34 110.424 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.57 -31.18 63.48 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.994 0.738 . . . . 65.44 112.994 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.614 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 89.1 mmm -66.73 -30.04 70.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.614 0.366 . . . . 72.31 111.463 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 58.8 mttp -63.65 -41.73 98.19 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.228 0.611 . . . . 71.1 110.741 171.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -34.79 78.67 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.654 0.596 . . . . 74.43 110.782 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.56 -40.77 84.93 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.587 -0.733 . . . . 75.31 110.213 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.25 65.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.296 0.638 . . . . 72.3 112.546 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.7 mt-10 -78.4 -0.04 27.58 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.52 0.933 . . . . 60.52 113.52 -176.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -144.87 140.35 28.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.244 0.474 . . . . 64.5 111.643 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -23.73 15.31 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.874 0.869 . . . . 74.45 111.489 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.75 154.47 41.81 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.001 0.921 . . . . 72.15 109.726 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.12 72.44 2.22 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.841 0.857 . . . . 75.32 112.383 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.02 111.33 10.12 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.001 -1.481 . . . . 72.21 107.001 168.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -80.9 86.14 6.1 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.771 0.669 . . . . 75.24 109.302 -170.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.17 113.63 40.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 75.11 107.133 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 22' ' ' VAL . 5.0 tt -91.21 127.6 36.71 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.086 -1.079 . . . . 73.53 108.086 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.682 HG23 ' SD ' ' A' ' 67' ' ' MET . 21.9 mm -111.22 133.07 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.345 -0.613 . . . . 74.32 109.345 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.24 123.7 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.904 -1.147 . . . . 71.44 107.904 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.0 t -121.31 116.46 24.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.511 -1.292 . . . . 72.51 107.511 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -77.3 -19.22 56.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.14 0.976 . . . . 74.44 110.886 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.43 140.39 36.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.712 1.205 . . . . 75.14 109.408 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.08 -35.62 69.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.431 0.692 . . . . 73.02 112.317 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 57.4 tp60 -75.42 -40.61 57.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.505 0.322 . . . . 73.44 110.479 -173.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD11 HG13 ' A' ' 32' ' ' VAL . 96.7 mt -60.78 -36.9 80.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.073 0.549 . . . . 75.22 110.474 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 HD11 HD11 ' A' ' 80' ' ' LEU . 7.7 tt -61.1 -49.21 78.22 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.204 0.94 . . . . 73.11 110.562 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -55.66 -57.39 12.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.969 0.793 . . . . 73.44 110.803 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 21.1 mm-40 -52.96 -47.2 68.33 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.661 1.225 . . . . 74.15 110.682 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.682 ' SD ' HG23 ' A' ' 56' ' ' ILE . 31.6 ttm -57.23 -53.9 52.89 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.63 1.206 . . . . 65.5 111.515 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 71' ' ' ILE . 97.1 mt -67.07 -28.5 68.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.124 0.57 . . . . 65.54 112.19 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.81 -32.03 61.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.173 0.589 . . . . 75.51 111.118 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.98 -37.67 72.73 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.162 0.585 . . . . 75.54 110.042 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.582 HD11 HD23 ' A' ' 68' ' ' LEU . 85.8 mt -70.31 -30.28 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.769 0.828 . . . . 73.32 110.809 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -60.16 -35.76 76.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.181 0.592 . . . . 61.32 110.302 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -71.69 -36.05 70.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.605 0.762 . . . . 74.35 110.983 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.69 -25.62 59.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.704 0.802 . . . . 72.5 111.554 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.89 30.51 59.35 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 115.973 -0.558 . . . . 70.21 114.075 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -90.57 136.15 33.25 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.513 -0.551 . . . . 75.43 109.513 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -79.69 114.07 18.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.235 -1.024 . . . . 75.52 108.235 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.3 t -101.67 140.73 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.992 -0.549 . . . . 74.22 111.386 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -108.6 116.39 31.88 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.734 -1.58 . . . . 74.14 106.734 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 104' ' ' VAL . 60.2 tp -104.59 128.91 52.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.235 0.614 . . . . 71.33 110.446 -173.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 tp -112.7 117.12 31.35 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.032 -0.729 . . . . 62.42 109.032 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.4 mt -104.88 118.36 36.36 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.136 -0.69 . . . . 73.33 109.136 173.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -109.48 112.59 24.79 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.074 -1.454 . . . . 53.21 107.074 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 10.1 m-20 -128.16 174.9 8.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.152 -0.931 . . . . 72.21 109.276 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.945 -0.57 . . . . 73.54 109.897 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.09 127.42 53.18 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.145 -0.687 . . . . 75.52 109.145 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HB3' ' HZ1' ' A' ' 106' ' ' LYS . 43.6 mt-10 -76.98 -24.89 52.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.978 0.733 . . . . 62.4 112.978 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.85 -43.45 71.89 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 110.01 -0.367 . . . . 73.2 110.01 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -79.36 -35.27 41.13 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.279 1.032 . . . . 71.31 109.887 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 16.6 tp -54.15 -50.99 65.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.371 1.068 . . . . 73.24 110.406 171.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.93 -39.58 69.35 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.529 0.732 . . . . 75.24 111.235 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.32 -46.65 72.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.282 1.033 . . . . 75.42 110.823 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -81.27 -35.04 31.62 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.99 0.916 . . . . 75.34 110.969 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -60.42 -52.76 63.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.314 1.046 . . . . 70.22 111.58 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.46 -24.45 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.183 0.993 . . . . 74.32 112.465 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -63.6 -49.56 72.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.926 0.89 . . . . 75.45 109.873 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -82.65 -33.09 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.495 -1.684 . . . . 75.11 110.514 -171.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.5 -36.18 82.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.175 0.99 . . . . 75.31 108.787 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.8 t -70.52 -20.8 62.8 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.345 -0.843 . . . . 74.45 111.431 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -77.41 -4.06 43.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.245 0.618 . . . . 75.21 111.722 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.97 39.7 4.26 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 112.334 -0.306 . . . . 74.52 112.334 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -118.04 135.91 53.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.403 0.681 . . . . 75.12 109.429 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.61 102.71 8.11 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 108.776 -0.824 . . . . 74.41 108.776 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 80' ' ' LEU . 5.6 t -118.16 139.67 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.214 0.606 . . . . 72.32 110.069 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -120.31 156.8 30.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.53 0.732 . . . . 73.34 109.372 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.455 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 52.7 mtpt -94.24 141.87 28.07 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.757 -0.831 . . . . 72.33 108.757 171.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 p -155.16 142.03 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 123.867 0.729 . . . . 73.24 110.807 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.9 p -123.47 -29.83 3.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.21 1.004 . . . . 73.12 109.995 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.01 143.27 32.63 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.556 0.743 . . . . 72.24 109.904 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.549 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.3 p-10 -74.49 -35.21 63.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.586 0.354 . . . . 71.35 111.582 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.66 -49.77 56.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.04 0.536 . . . . 74.3 109.802 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.521 ' O ' HG12 ' A' ' 116' ' ' ILE . 26.4 mm-40 -58.51 -38.98 78.85 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.085 0.865 . . . . 72.24 110.82 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.65 -51.45 63.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.908 0.883 . . . . 43.12 111.178 177.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.02 -35.09 74.33 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.915 0.759 . . . . 73.1 110.961 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.424 ' HG2' ' NH2' ' A' ' 118' ' ' ARG . 96.2 mttt -71.04 -46.22 62.48 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.295 -0.866 . . . . 74.54 111.267 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 112' ' ' GLU . 41.3 mm -70.41 -27.65 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.25 0.62 . . . . 70.54 110.434 -175.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -57.62 -48.7 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.425 -0.583 . . . . 72.13 109.425 168.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.424 ' NH2' ' HG2' ' A' ' 115' ' ' LYS . 82.0 mtm-85 -70.17 -22.17 62.99 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.69 -0.686 . . . . 75.0 111.629 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -70.91 -46.92 61.68 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.218 0.607 . . . . 72.14 109.95 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -66.39 -35.41 80.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.626 0.77 . . . . 74.34 112.012 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.528 ' SD ' HG12 ' A' ' 22' ' ' VAL . 69.1 mtm -73.23 -24.92 60.55 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.666 0.604 . . . . 72.31 110.806 174.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -72.93 -46.74 50.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.467 0.707 . . . . 71.14 110.488 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.06 -36.91 83.07 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.687 -0.688 . . . . 74.31 109.778 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.12 87.43 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.428 -0.805 . . . . 62.11 109.993 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.36 67.88 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 124.008 0.817 . . . . 73.31 112.772 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.8 t -72.49 -39.1 67.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.865 0.866 . . . . 72.33 110.309 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.25 -17.59 34.32 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.786 0.835 . . . . 73.15 111.33 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -81.64 -64.47 1.18 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.916 1.286 . . . . 74.34 109.006 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -74.96 96.82 3.23 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.845 -1.539 . . . . 75.2 106.845 174.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -73.17 85.21 1.37 Allowed 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.921 0.763 . . . . 75.21 111.885 -168.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -70.23 -25.13 63.24 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 114.778 -1.101 . . . . 73.01 108.883 168.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 55.6 99.12 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.861 2.064 . . . . 74.13 113.286 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -85.75 -61.07 1.84 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.637 0.775 . . . . 74.52 109.447 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 . . . . . 0 CA--C 1.551 1.008 0 C-N-CA 124.681 1.192 . . . . 71.44 108.743 175.695 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.666 -0.494 . . . . 75.2 109.666 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HZ1' HD21 ' A' ' 4' ' ' LEU . 10.1 ptmm? -155.0 158.78 39.69 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.031 -0.729 . . . . 73.03 109.031 169.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.1 130.85 62.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-N 115.806 -0.634 . . . . 73.5 109.913 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' HB2' HG22 ' A' ' 78' ' ' VAL . 86.5 mt -126.19 118.19 24.68 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.463 1.105 . . . . 72.13 108.711 173.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 120' ' ' PHE . 22.2 mm -93.26 105.19 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.923 -1.14 . . . . 72.32 107.923 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.672 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -91.69 124.07 35.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.445 -1.317 . . . . 73.33 107.445 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 HD23 ' A' ' 55' ' ' LEU . 77.2 mt -126.69 119.11 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.863 -0.791 . . . . 73.51 108.863 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.417 ' HB2' HD13 ' A' ' 64' ' ' LEU . 5.6 t30 -104.68 124.04 48.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.983 -1.488 . . . . 75.34 106.983 170.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.494 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 9.0 t -126.13 142.5 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.674 0.609 . . . . 70.13 109.647 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -80.64 -29.56 36.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.261 0.624 . . . . 74.34 109.637 170.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.515 ' HB2' HD21 ' A' ' 14' ' ' LEU . 64.7 m-20 -99.26 124.53 44.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.69 0.796 . . . . 51.13 111.071 -174.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.76 -19.09 64.71 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.555 1.142 . . . . 62.44 113.107 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.56 -43.99 89.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.08 0.552 . . . . 74.44 110.554 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -65.23 -29.92 70.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.573 -0.285 . . . . 74.41 111.697 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 HD22 ' A' ' 59' ' ' ASN . 56.1 mt -60.48 -60.8 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 N-CA-C 109.542 -0.54 . . . . 74.34 109.542 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.76 -41.74 99.36 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.211 0.605 . . . . 74.44 111.831 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.526 ' HE2' HD13 ' A' ' 114' ' ' LEU . 62.4 mtpt -69.16 -55.11 11.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.402 0.681 . . . . 73.41 111.268 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -57.56 -37.08 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.599 0.76 . . . . 74.43 110.409 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.6 mttm -53.45 -43.25 67.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.893 0.477 . . . . 73.44 111.772 175.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -77.15 -46.45 23.37 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.684 0.794 . . . . 74.52 111.549 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 7.5 mm-40 -50.01 -48.76 52.39 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.54 0.736 . . . . 73.53 111.434 176.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.737 HG11 ' SD ' ' A' ' 121' ' ' MET . 4.2 m -88.86 -12.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.897 -0.592 . . . . 71.42 111.287 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.93 -38.62 91.74 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.087 -0.709 . . . . 71.13 109.087 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -67.57 -25.02 65.58 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.659 -1.155 . . . . 73.43 110.767 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 16.9 mm100 -103.12 3.59 36.06 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.816 0.846 . . . . 72.54 112.486 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.25 75.58 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 115.476 0.95 . . . . 53.32 115.476 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -105.44 125.7 51.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 117.476 0.638 . . . . 74.01 110.168 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -73.32 99.73 2.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.855 0.862 . . . . 71.03 109.6 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 19' ' ' LYS . 22.0 t -82.33 134.16 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.558 0.343 . . . . 73.5 111.131 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -127.62 117.37 21.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.771 -1.566 . . . . 75.22 106.771 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.98 131.96 45.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 109.585 -0.524 . . . . 65.23 109.585 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -129.12 117.3 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.227 1.011 . . . . 74.21 108.941 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.58 22.89 3.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.605 1.162 . . . . 73.41 108.293 169.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -140.36 144.34 36.22 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.408 1.083 . . . . 74.23 109.906 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 45.7 t -58.45 -47.01 85.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.772 0.829 . . . . 72.53 111.693 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.27 -25.96 65.42 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 119.306 -0.378 . . . . 73.43 111.885 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.17 -40.37 74.75 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.118 0.417 . . . . 72.14 110.889 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -56.79 -55.39 34.88 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.693 0.621 . . . . 71.32 110.322 174.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 39.6 mtpt -62.45 -43.09 99.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.34 -1.3 . . . . 73.23 110.905 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.74 98.19 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.058 0.943 . . . . 71.32 110.542 -178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.8 mm-40 -69.37 -30.65 68.7 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.681 0.613 . . . . 73.12 111.703 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.479 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -70.24 -32.73 70.72 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.611 0.365 . . . . 73.25 111.359 176.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.9 mmtp -64.72 -42.27 95.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.008 -0.738 . . . . 74.43 109.008 173.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.65 -42.42 99.59 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 124.221 0.951 . . . . 74.21 111.283 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 92.9 mt -67.02 -31.99 72.91 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.906 0.482 . . . . 75.21 110.912 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.52 56.69 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.769 -0.65 . . . . 74.22 111.789 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -85.25 -36.79 20.69 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.83 0.852 . . . . 72.13 111.334 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.4 87.73 3.69 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.887 0.851 . . . . 74.14 108.788 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.15 2.18 28.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.16 -1.382 . . . . 75.21 112.016 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -71.48 161.08 31.6 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.313 1.045 . . . . 72.22 110.84 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -88.61 31.33 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.153 0.581 . . . . 74.44 111.739 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -53.59 128.6 29.79 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.659 1.184 . . . . 71.44 111.571 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -77.9 95.52 4.78 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.31 1.044 . . . . 71.24 109.037 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HB ' HD22 ' A' ' 4' ' ' LEU . 59.4 mt -113.33 142.3 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD11 HG23 ' A' ' 22' ' ' VAL . 9.5 tt -124.33 125.89 45.09 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.05 -1.463 . . . . 74.24 107.05 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.672 ' HB ' HD21 ' A' ' 6' ' ' LEU . 12.0 mm -111.55 122.11 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.612 -0.884 . . . . 74.54 108.612 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.58 140.5 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 108.873 -0.788 . . . . 73.53 108.873 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -141.44 167.3 22.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.552 1.141 . . . . 74.32 107.957 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.573 HD22 HD11 ' A' ' 15' ' ' ILE . 14.3 m120 -118.0 -7.67 10.83 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.427 0.691 . . . . 75.03 110.409 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -116.95 134.97 54.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 73.42 110.502 -167.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -77.29 -25.86 51.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.582 1.153 . . . . 74.51 112.085 -175.132 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.72 -43.1 38.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.461 0.304 . . . . 71.32 110.295 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.11 -34.86 79.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.534 0.734 . . . . 74.14 110.259 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 80' ' ' LEU . 8.6 tt -65.56 -41.46 92.93 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.827 -0.624 . . . . 60.04 110.668 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -58.62 -58.78 7.05 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.619 0.574 . . . . 75.11 110.012 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -52.25 -41.82 63.12 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.865 0.728 . . . . 73.33 111.213 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.543 ' HG2' HD22 ' A' ' 6' ' ' LEU . 37.3 tpp -54.62 -63.02 1.29 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.164 0.986 . . . . 74.21 111.184 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -26.14 64.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.417 0.687 . . . . 65.13 112.581 -171.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.11 -33.74 50.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.7 0.4 . . . . 73.41 110.258 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 42' ' ' MET . 76.6 mt -71.55 -37.3 71.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.349 0.66 . . . . 74.22 110.616 172.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.406 ' HA ' HD11 ' A' ' 74' ' ' LEU . 80.6 mt -72.6 -26.0 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.232 0.613 . . . . 63.14 110.296 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -65.11 -33.68 76.6 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.156 0.582 . . . . 75.12 110.07 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.38 -39.66 71.06 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.581 -0.736 . . . . 73.2 110.755 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 71' ' ' ILE . 71.3 mt -69.47 -36.1 76.24 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.927 0.891 . . . . 72.11 111.528 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.57 42.98 31.32 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.011 -0.54 . . . . 61.54 113.455 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -98.36 140.72 32.21 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.641 0.376 . . . . 75.44 111.251 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -72.43 107.9 5.23 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.529 -0.915 . . . . 72.5 108.529 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 4' ' ' LEU . 98.1 t -106.61 139.92 26.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 123.367 0.667 . . . . 72.34 111.203 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.505 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.4 m-85 -109.52 113.38 26.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.062 -1.458 . . . . 73.34 107.062 166.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 64' ' ' LEU . 57.8 tp -96.71 139.38 32.86 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.119 0.568 . . . . 65.31 111.786 -175.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 22.4 tp -124.87 126.76 46.07 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.418 1.087 . . . . 75.1 108.16 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -113.48 113.41 25.11 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 108.604 -0.888 . . . . 73.22 108.604 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 23.6 tm0? -112.37 102.89 10.99 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.81 -1.181 . . . . 74.02 107.81 174.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -151.52 136.38 17.25 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.237 -1.394 . . . . 70.22 107.237 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.35 -24.27 59.15 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.079 0.4 . . . . 73.31 112.079 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.44 84.33 5.34 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.04 -0.726 . . . . 74.01 109.04 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.657 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 36.2 mt-10 -68.59 -13.93 62.67 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.801 0.667 . . . . 74.14 112.801 -174.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.33 -52.53 32.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.689 0.796 . . . . 52.34 110.001 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.59 -34.38 65.07 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.228 -0.896 . . . . 71.4 110.236 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.657 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 14.9 tp -64.97 -35.82 82.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 74.35 110.584 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.47 -49.79 74.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.003 0.521 . . . . 73.25 110.6 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 30.2 mm-40 -69.34 -40.92 77.26 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.635 -0.711 . . . . 75.55 111.291 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 24.4 t80 -69.82 -34.4 73.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 116.324 -0.398 . . . . 75.22 110.242 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HA ' HG11 ' A' ' 104' ' ' VAL . 19.2 ttpt -58.74 -58.13 9.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.883 0.873 . . . . 72.44 110.665 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.469 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 2.3 ptm180 -67.41 -24.67 65.68 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.229 0.825 . . . . 75.43 113.229 -170.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.4 mptm? -72.86 -37.43 67.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.518 0.327 . . . . 75.32 111.105 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.9 mt -85.34 -23.74 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-O 121.584 0.707 . . . . 72.11 110.289 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 32.0 tt0 -64.75 -33.69 76.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.712 1.205 . . . . 75.53 109.14 171.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.0 t -70.96 -26.38 63.14 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 114.933 -1.031 . . . . 75.02 110.802 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -79.5 -0.82 34.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.632 0.773 . . . . 73.32 111.621 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.84 82.39 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 122.961 0.315 . . . . 74.41 113.298 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.461 ' HB2' HG22 ' A' ' 97' ' ' ILE . 55.8 m-85 -82.61 144.64 30.17 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 122.68 0.392 . . . . 72.54 110.728 176.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -74.2 92.45 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.07 -0.968 . . . . 74.52 109.073 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.436 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.5 t -103.77 119.68 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.414 -0.587 . . . . 74.34 109.414 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -116.97 134.91 54.14 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.663 0.785 . . . . 75.12 109.155 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.487 ' HB2' HD21 ' A' ' 90' ' ' LEU . 17.9 ptmt -97.91 155.93 16.84 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.851 0.86 . . . . 74.22 110.03 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -169.15 158.92 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.611 0.764 . . . . 73.12 109.463 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -128.48 -33.82 2.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.797 0.839 . . . . 73.13 110.584 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.62 144.29 26.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.153 0.581 . . . . 72.11 110.395 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.0 -38.64 66.55 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.574 0.749 . . . . 73.42 111.245 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.72 -41.39 92.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.509 0.724 . . . . 71.13 109.923 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 14.4 tp10 -75.03 -32.85 61.69 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 115.063 -0.971 . . . . 74.32 110.333 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -61.42 -42.7 99.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.001 0.52 . . . . 72.41 111.046 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.526 HD13 ' HE2' ' A' ' 17' ' ' LYS . 80.7 mt -62.27 -35.72 79.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.431 0.692 . . . . 75.34 110.586 176.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 53.0 mtpt -70.73 -27.07 63.69 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.081 -0.963 . . . . 74.21 111.227 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 26.4 mm -78.9 -36.07 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.414 -0.587 . . . . 62.4 109.414 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 113' ' ' ALA . 96.1 t -63.09 -39.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.497 0.719 . . . . 75.52 110.062 176.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.6 ptt180 -62.07 -35.5 78.83 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.361 0.413 . . . . 74.1 109.904 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.479 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 67.3 mm-40 -63.68 -47.09 82.64 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.977 0.798 . . . . 65.4 109.919 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.506 ' HB3' HD13 ' A' ' 5' ' ' ILE . 25.6 m-85 -59.16 -47.23 86.08 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.102 0.876 . . . . 75.14 111.415 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.737 ' SD ' HG11 ' A' ' 22' ' ' VAL . 77.6 mtm -66.78 -38.49 86.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.746 0.819 . . . . 72.43 112.002 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -68.32 -41.44 80.82 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.212 1.005 . . . . 75.24 111.516 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 46.5 mttp -75.22 -37.16 61.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.404 0.682 . . . . 75.34 110.534 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.75 -34.2 75.19 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.326 0.65 . . . . 54.32 110.063 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.56 89.04 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 114.84 -1.073 . . . . 60.52 112.368 172.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 m -74.51 -31.54 62.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.114 0.566 . . . . 75.42 110.537 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 41.0 mt -78.46 -0.41 29.22 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.373 0.669 . . . . 71.45 111.684 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.68 -19.18 49.61 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.698 0.799 . . . . 70.51 111.448 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -131.98 147.46 52.46 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.717 0.807 . . . . 75.22 110.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.7 m80 62.42 20.36 11.81 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.363 1.065 . . . . 74.43 112.247 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -88.9 28.49 1.16 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.267 1.027 . . . . 71.05 111.485 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -51.13 -44.51 61.37 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 74.35 110.583 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -149.64 104.37 3.34 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.55 -0.907 . . . . 75.24 108.55 169.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 124.112 0.965 . . . . 73.52 108.503 177.695 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.992 0.425 . . . . 74.05 110.423 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HA ' ' HG3' ' A' ' 53' ' ' LYS . 26.7 ttpt -152.43 96.14 2.12 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.996 0.919 . . . . 72.41 108.536 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' A' ' 77' ' ' LYS . 20.7 mt -94.31 129.01 45.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.276 -0.875 . . . . 72.22 108.937 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.71 110.05 21.98 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.741 -0.837 . . . . 72.12 108.741 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 mm -84.9 106.84 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 107.899 -1.148 . . . . 74.42 107.899 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.655 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.76 138.23 31.72 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.261 -1.385 . . . . 74.45 107.261 -177.517 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 55' ' ' LEU . 79.2 mt -138.7 131.8 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.031 0.532 . . . . 74.21 109.68 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -120.62 114.64 22.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 107.375 -1.343 . . . . 60.43 107.375 168.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -124.96 144.41 50.38 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 75.52 108.892 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.18 -11.26 47.33 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.012 0.434 . . . . 73.53 109.988 173.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.54 129.34 36.02 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.23 1.012 . . . . 72.03 110.284 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.11 -38.39 78.89 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.645 0.591 . . . . 72.55 111.212 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.02 -44.32 94.69 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 74.35 110.638 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.0 -24.95 67.36 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.872 0.693 . . . . 74.11 112.872 -175.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.8 mt -57.95 -58.76 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 O-C-N 123.562 0.539 . . . . 74.34 110.062 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.15 -32.67 63.24 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.043 0.386 . . . . 73.13 112.043 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE3' HD12 ' A' ' 114' ' ' LEU . 30.1 mtpp -60.91 -51.96 67.05 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.223 0.609 . . . . 73.45 109.938 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 HD12 HD12 ' A' ' 7' ' ' ILE . 90.1 mt -64.71 -38.14 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.075 0.859 . . . . 65.2 110.498 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 95.8 mttt -55.85 -43.04 76.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.286 0.366 . . . . 73.51 111.518 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -72.1 -43.55 64.62 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.553 0.533 . . . . 75.44 110.53 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -50.12 -48.32 53.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.194 -0.912 . . . . 71.1 112.464 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.41 -15.04 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.081 0.552 . . . . 74.33 111.596 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.656 0.741 . . . . 72.43 109.482 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.54 -25.12 66.51 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.973 -1.467 . . . . 75.24 111.118 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.96 -2.88 56.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.017 0.927 . . . . 74.11 112.048 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 34.68 72.85 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 115.06 0.784 . . . . 74.21 115.06 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -102.39 125.22 49.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.793 -0.817 . . . . 70.5 108.793 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -82.35 118.69 23.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.34 -0.615 . . . . 72.11 109.34 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' A' ' 19' ' ' LYS . 26.3 t -88.54 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.909 0.483 . . . . 74.34 110.349 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -125.86 137.63 53.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 106.615 -1.624 . . . . 74.54 106.615 167.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -121.95 126.41 48.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 107.823 -1.177 . . . . 73.15 107.823 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 38' ' ' LEU . 96.7 t -105.19 115.32 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 123.809 0.844 . . . . 74.14 109.564 -170.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.04 -17.7 18.99 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.32 0.648 . . . . 73.44 111.606 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.07 154.25 41.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.413 0.285 . . . . 71.2 111.044 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.7 p -55.56 -47.15 76.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.299 1.039 . . . . 71.52 112.695 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.76 -33.61 75.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.547 0.339 . . . . 75.22 111.134 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.49 -51.34 69.05 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.72 0.638 . . . . 72.12 110.013 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.484 ' HB2' HG12 ' A' ' 32' ' ' VAL . 9.0 tt -49.61 -47.52 49.55 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.547 1.139 . . . . 70.32 110.947 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' SER . 24.6 mtpp -73.09 -25.69 60.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 74.44 111.362 -174.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -70.15 -41.9 73.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.911 0.485 . . . . 74.2 110.308 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 8.9 mm-40 -59.24 -42.32 90.8 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.938 0.774 . . . . 72.23 110.494 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.411 ' HG3' HD11 ' A' ' 70' ' ' LEU . 23.0 mmt -60.2 -36.14 76.98 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.729 0.811 . . . . 72.43 112.353 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -68.81 -38.41 79.9 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.232 -0.895 . . . . 74.52 110.25 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.42 -34.14 74.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.852 0.461 . . . . 74.31 110.639 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.6 mt -65.43 -28.45 69.25 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.609 0.764 . . . . 73.54 111.335 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.32 -49.8 9.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.336 0.655 . . . . 74.14 110.991 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.85 -44.28 70.19 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.356 1.062 . . . . 74.43 111.424 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -84.58 125.46 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.084 -1.45 . . . . 74.24 107.084 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.9 156.44 37.18 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.243 0.964 . . . . 71.32 110.844 -172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -78.8 72.32 5.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 122.088 0.947 . . . . 74.22 111.299 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -136.73 19.15 3.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.593 1.157 . . . . 73.45 108.877 173.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.24 125.53 6.75 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.046 0.938 . . . . 75.34 108.819 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -90.94 130.15 36.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.061 0.544 . . . . 74.41 109.985 -174.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mm -111.47 115.83 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.133 0.573 . . . . 72.14 109.598 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 7' ' ' ILE . 10.4 tt -83.94 134.86 34.65 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.085 -1.08 . . . . 72.1 108.085 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.655 ' HB ' HD22 ' A' ' 6' ' ' LEU . 16.0 mm -116.53 135.58 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.032 0.533 . . . . 74.34 109.724 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -115.63 136.52 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 107.343 -1.355 . . . . 74.45 107.343 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -142.19 128.9 20.42 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.875 -1.158 . . . . 61.41 107.875 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.44 -9.15 59.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.736 0.414 . . . . 75.22 110.734 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.2 137.16 52.33 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.434 0.694 . . . . 71.22 111.098 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.75 -29.59 36.24 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.874 -1.057 . . . . 70.51 113.167 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -69.41 -41.37 76.47 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.515 -0.55 . . . . 74.11 109.515 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.06 -45.36 87.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.375 -0.83 . . . . 54.44 109.989 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -53.25 -48.35 68.3 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.942 0.776 . . . . 72.1 111.417 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.78 -54.41 46.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.867 0.467 . . . . 72.03 111.792 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -49.31 68.32 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.038 1.335 . . . . 63.45 109.823 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.641 ' SD ' HG21 ' A' ' 56' ' ' ILE . 4.3 ttp -53.61 -52.91 58.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 113.012 -1.904 . . . . 73.32 112.879 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 HD22 ' HG ' ' A' ' 6' ' ' LEU . 80.2 mt -65.35 -33.9 77.05 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.607 0.595 . . . . 75.21 112.607 -175.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.89 -30.36 65.31 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.551 0.532 . . . . 53.22 110.554 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD11 ' HG3' ' A' ' 42' ' ' MET . 95.2 mt -72.14 -37.84 69.36 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 122.721 0.408 . . . . 74.31 111.179 171.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 HD13 HD23 ' A' ' 68' ' ' LEU . 68.4 mt -68.51 -29.17 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 122.99 0.516 . . . . 71.14 110.357 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -61.15 -34.51 75.14 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.411 0.684 . . . . 63.41 110.534 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -72.02 -30.75 65.52 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.06 0.457 . . . . 74.31 110.259 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.1 -22.91 48.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.656 0.782 . . . . 75.23 110.859 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.03 31.48 75.21 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.007 -0.542 . . . . 73.13 113.987 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -88.86 150.64 22.79 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.009 0.523 . . . . 75.13 111.797 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 3' ' ' ILE . 31.4 mmmt -66.85 117.25 8.69 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.66 -1.155 . . . . 75.13 109.191 173.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.44 HG11 HD21 ' A' ' 68' ' ' LEU . 54.5 t -108.84 122.52 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.881 -0.414 . . . . 72.03 109.881 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -110.67 111.3 22.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.144 -1.798 . . . . 75.31 106.144 167.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 tp -106.29 133.79 50.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.577 0.751 . . . . 74.35 110.613 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 116' ' ' ILE . 39.4 tp -115.68 118.5 33.24 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 72.43 109.455 173.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB3' HD11 ' A' ' 90' ' ' LEU . 85.1 mt -103.27 122.89 45.72 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.831 0.853 . . . . 72.45 109.561 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -113.76 109.41 18.52 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.497 -0.927 . . . . 71.41 108.497 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -154.58 148.34 25.46 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.345 0.403 . . . . 75.1 110.066 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.5 -40.39 26.19 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.189 0.596 . . . . 73.1 112.287 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -86.37 95.62 9.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.277 -0.638 . . . . 72.51 109.277 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.588 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.3 mt-10 -71.6 -18.27 62.23 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.821 0.674 . . . . 72.24 112.821 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 3.9 m-20 -64.43 -46.93 81.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.288 -0.634 . . . . 71.12 109.288 172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.03 -36.96 58.88 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.368 -0.833 . . . . 71.12 110.357 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.588 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 30.1 tp -66.92 -51.62 53.05 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 123.889 0.876 . . . . 74.44 110.826 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 25.5 tp10 -59.43 -51.63 69.07 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.226 0.954 . . . . 65.22 110.041 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 1.4 tm-20 -52.72 -52.63 55.47 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.678 1.236 . . . . 74.15 111.472 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.83 -40.82 98.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.644 1.178 . . . . 74.21 111.146 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.04 -30.97 71.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.102 0.961 . . . . 73.15 111.054 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 9.0 mmm180 -63.64 -36.92 85.4 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.677 0.391 . . . . 73.22 111.295 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.9 -46.49 90.41 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.184 -0.916 . . . . 74.22 110.732 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.439 HG23 HD23 ' A' ' 80' ' ' LEU . 18.7 mt -74.54 -29.53 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 114.687 -1.142 . . . . 75.53 110.902 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.93 -34.46 73.49 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.526 -1.216 . . . . 74.34 109.805 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -73.88 -20.76 60.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.627 0.771 . . . . 74.24 110.991 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -71.88 -12.65 61.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.705 0.402 . . . . 75.13 110.584 172.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.96 52.69 4.23 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.769 -0.532 . . . . 71.13 111.769 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -127.64 145.07 51.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.159 0.584 . . . . 74.42 109.824 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.67 94.76 3.28 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.594 -0.891 . . . . 74.53 108.594 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.78 109.3 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.411 -0.588 . . . . 74.2 109.411 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 0.7 OUTLIER -101.83 150.56 23.04 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.237 -0.653 . . . . 74.45 109.237 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -98.4 155.42 17.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.703 0.801 . . . . 75.05 109.123 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.95 152.32 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.267 0.627 . . . . 74.42 110.289 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -119.01 -40.57 2.83 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.352 0.661 . . . . 71.21 111.581 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -94.91 155.29 16.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.814 0.446 . . . . 73.13 111.523 -172.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.61 -45.33 68.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.93 0.892 . . . . 73.34 112.182 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.68 -37.16 70.78 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.207 0.527 . . . . 72.33 109.745 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.29 -36.33 83.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.517 1.127 . . . . 75.41 111.04 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.52 -44.64 95.86 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.38 0.425 . . . . 61.03 110.657 175.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.413 HD12 ' HE3' ' A' ' 17' ' ' LYS . 72.2 mt -59.83 -33.21 71.46 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.905 0.753 . . . . 72.43 110.652 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.547 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 4.2 mmmp? -71.04 -53.02 16.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.367 -0.833 . . . . 64.23 111.445 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 81' ' ' LEU . 38.1 mm -63.3 -32.81 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 117.881 0.309 . . . . 71.44 111.126 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.2 t -64.2 -46.25 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.227 0.611 . . . . 71.24 110.832 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.6 ptm180 -69.89 -29.93 67.24 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.916 0.135 . . . . 73.22 110.67 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 45.7 mm-40 -69.57 -44.34 71.05 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.463 -0.569 . . . . 74.22 109.463 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 7.9 m-30 -55.15 -44.8 75.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.387 1.075 . . . . 70.33 112.15 175.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.29 -27.28 63.31 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.782 0.676 . . . . 74.15 112.035 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -76.34 -38.07 56.44 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.696 0.399 . . . . 74.42 110.418 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 68.1 mttm -60.68 -50.63 72.71 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.825 -0.806 . . . . 74.14 108.825 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.75 85.1 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.865 -1.516 . . . . 71.42 110.984 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.11 -25.24 66.07 Favored Glycine 0 C--N 1.346 1.085 0 O-C-N 124.361 1.038 . . . . 72.31 113.102 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.6 m -77.93 -37.96 46.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 122.776 0.43 . . . . 73.52 110.493 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 81.7 mt -76.7 -46.35 25.85 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.774 0.83 . . . . 73.43 111.53 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -46.92 -57.53 4.87 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 124.978 1.311 . . . . 54.3 111.944 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -74.28 91.89 2.21 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.498 -1.228 . . . . 72.11 108.825 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -86.62 89.13 7.82 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.918 0.887 . . . . 72.41 109.719 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m170 62.35 -87.6 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.154 1.382 . . . . 73.42 111.372 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -107.01 -21.16 13.09 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.16 0.584 . . . . 75.34 110.912 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.85 114.37 12.06 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.984 -0.747 . . . . 74.01 108.984 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.8 m80 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 118.527 -0.749 . . . . 74.43 110.144 -175.736 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.233 -0.654 . . . . 75.1 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.543 ' HE3' ' HA ' ' A' ' 51' ' ' PHE . 55.2 mttp -128.47 147.8 50.69 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.613 0.365 . . . . 74.4 110.199 174.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 77' ' ' LYS . 39.1 mt -114.65 109.76 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 107.624 -1.25 . . . . 74.42 107.624 167.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.8 122.77 46.43 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.474 -0.936 . . . . 64.45 108.474 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 33.6 mm -89.71 112.21 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 108.034 -1.098 . . . . 73.21 108.034 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.702 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -93.83 134.85 35.75 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 107.344 -1.354 . . . . 73.02 107.344 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 HD11 HD21 ' A' ' 55' ' ' LEU . 82.2 mt -139.55 128.0 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.33 0.652 . . . . 70.4 109.342 176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -119.9 112.7 19.53 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -127.92 140.77 51.81 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.419 1.087 . . . . 71.45 108.301 167.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.08 -4.88 59.18 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.225 0.61 . . . . 73.11 110.283 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.49 109.76 21.61 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.998 0.919 . . . . 73.23 108.616 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.29 -18.63 64.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.971 0.908 . . . . 73.32 111.914 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.02 -56.16 24.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.255 0.972 . . . . 75.11 109.003 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 110' ' ' ASP . 4.1 mm? -65.08 -36.27 83.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.077 -0.51 . . . . 72.31 111.433 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG22 ' HE2' ' A' ' 19' ' ' LYS . 60.5 mt -53.75 -56.53 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.655 0.597 . . . . 74.33 110.466 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.46 -37.28 74.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.088 0.403 . . . . 71.43 112.088 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -66.76 -44.43 81.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.109 0.564 . . . . 74.14 111.163 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.87 -42.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 123.885 0.741 . . . . 75.11 109.683 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE2' HG22 ' A' ' 15' ' ' ILE . 55.4 mtmt -60.95 -31.44 70.99 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 119.113 -0.47 . . . . 73.22 111.741 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -72.3 -52.16 17.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.426 0.29 . . . . 75.54 110.58 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 mm-40 -43.82 -53.98 5.57 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.137 0.975 . . . . 73.22 112.054 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.547 HG11 ' SD ' ' A' ' 121' ' ' MET . 6.1 m -83.6 -21.28 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.631 -1.168 . . . . 73.12 111.885 -169.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.48 -46.74 86.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.908 0.883 . . . . 72.01 110.004 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -65.02 -29.5 70.41 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.265 -0.88 . . . . 70.12 110.654 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.6 mm-40 -83.35 -0.02 47.94 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.318 0.647 . . . . 74.22 111.809 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.6 29.32 57.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.852 0.701 . . . . 72.22 114.852 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -102.42 122.76 44.93 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 117.373 0.587 . . . . 75.23 109.703 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -84.56 120.1 25.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.342 0.657 . . . . 75.13 109.512 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 23.2 t -96.03 143.49 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.329 0.652 . . . . 73.21 111.273 -175.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -118.72 118.08 30.66 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.257 -1.016 . . . . 74.52 108.257 171.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.11 116.92 23.13 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.094 -1.076 . . . . 75.21 108.094 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.08 115.77 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 108.263 -1.014 . . . . 74.23 108.263 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -137.97 17.38 2.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.681 1.192 . . . . 72.22 108.399 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -143.74 138.19 28.64 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.576 1.151 . . . . 72.23 110.296 -176.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.4 t -63.8 -42.75 97.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.161 0.984 . . . . 75.43 113.154 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.06 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 123.038 0.211 . . . . 52.5 110.626 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 22.4 mm-40 -64.93 -46.25 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.838 0.455 . . . . 73.11 110.366 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 66' ' ' GLU . 6.9 tt -55.67 -51.01 68.73 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.039 0.936 . . . . 70.0 111.264 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -69.52 -40.87 76.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.262 -0.881 . . . . 74.12 111.474 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 10.0 mtmp? -72.46 -24.09 61.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.007 0.523 . . . . 74.25 111.657 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 48.7 mm-40 -68.29 -44.11 76.21 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 110.026 -0.361 . . . . 72.53 110.026 169.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.602 ' HE1' ' SD ' ' A' ' 67' ' ' MET . 22.6 mmt -64.57 -25.68 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.333 0.653 . . . . 75.2 112.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.08 -57.71 10.57 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.562 0.539 . . . . 74.12 109.892 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -65.61 -33.97 77.14 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.584 0.754 . . . . 75.3 112.242 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.682 0.793 . . . . 64.35 110.184 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.88 77.07 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.141 0.423 . . . . 71.1 112.141 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.39 -8.58 51.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.533 0.733 . . . . 72.24 112.408 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 65.37 10.47 6.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.608 1.163 . . . . 74.31 111.907 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.79 -23.02 39.58 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.508 1.123 . . . . 73.41 109.637 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -115.58 79.55 1.31 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 107.476 -1.305 . . . . 73.42 107.476 167.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.543 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 87.0 t80 -76.26 -18.51 58.97 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.114 0.565 . . . . 70.13 110.856 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -53.47 150.96 6.11 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.534 1.133 . . . . 62.24 112.307 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.601 ' HZ3' ' HG3' ' A' ' 128' ' ' GLU . 13.3 mmmm -73.95 101.09 3.71 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.393 0.677 . . . . 74.42 109.348 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -100.55 122.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 115.894 -0.594 . . . . 74.33 109.919 -170.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.536 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 7.1 tt -87.83 127.71 35.34 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.245 -1.391 . . . . 72.13 107.245 169.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.702 ' HB ' HD21 ' A' ' 6' ' ' LEU . 23.2 mm -107.02 112.27 39.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.9 -0.778 . . . . 73.14 108.9 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.4 mt -95.19 114.53 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.037 -1.468 . . . . 71.4 107.037 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -112.1 118.53 35.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.852 -1.536 . . . . 70.4 106.852 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.12 -32.16 72.25 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.681 0.613 . . . . 75.23 110.385 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -100.33 134.86 42.64 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 74.13 109.817 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.4 -22.97 47.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.543 0.737 . . . . 73.52 112.937 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 6.7 tp60 -72.44 -42.02 65.5 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.983 -0.747 . . . . 75.14 108.983 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.47 -31.54 72.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.28 0.632 . . . . 75.31 110.689 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 HD12 HD12 ' A' ' 80' ' ' LEU . 6.9 tt -61.12 -47.33 86.77 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.855 0.462 . . . . 74.45 110.182 173.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 9.8 mtpm? -57.91 -56.52 20.96 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.821 0.701 . . . . 63.41 110.982 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.6 mm-40 -57.59 -39.03 75.89 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.966 0.791 . . . . 70.31 110.619 -176.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.602 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 37.2 tpp -56.22 -56.63 18.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.395 1.059 . . . . 75.14 110.243 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 71' ' ' ILE . 95.5 mt -72.58 -27.63 62.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.641 0.776 . . . . 72.12 112.935 -172.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.55 -36.14 60.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.919 0.488 . . . . 75.44 110.071 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' HG3' ' A' ' 42' ' ' MET . 79.6 mt -67.38 -38.69 85.13 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.43 110.65 170.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 76' ' ' TYR . 84.9 mt -67.2 -30.33 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.601 0.761 . . . . 74.42 110.162 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -68.22 -35.48 78.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.951 0.501 . . . . 73.45 110.311 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.64 -38.47 77.17 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.84 0.856 . . . . 75.21 110.672 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.93 -18.74 49.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.982 0.913 . . . . 73.21 111.502 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.84 29.87 68.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.469 0.948 . . . . 74.44 115.469 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' HB2' HG22 ' A' ' 71' ' ' ILE . 20.0 m-85 -83.62 146.15 28.44 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.102 0.951 . . . . 74.3 111.135 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HB3' HG12 ' A' ' 3' ' ' ILE . 15.7 tppt? -73.87 124.94 27.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.487 0.715 . . . . 71.31 110.079 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.35 139.35 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.383 0.611 . . . . 72.52 111.335 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -112.25 113.91 26.4 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 106.638 -1.616 . . . . 74.23 106.638 166.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 31.6 tp -102.17 140.94 35.78 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.614 0.765 . . . . 73.04 110.737 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.9 tp -126.14 120.72 30.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.068 0.947 . . . . 75.21 109.55 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.56 118.5 35.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.437 1.095 . . . . 73.35 109.452 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -102.16 117.34 34.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.949 0.34 . . . . 74.33 110.415 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 13.6 m-20 -147.6 146.38 29.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.535 1.134 . . . . 54.42 108.776 173.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -84.86 -17.04 39.22 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.922 -0.581 . . . . 73.53 109.624 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.96 85.99 6.84 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.733 0.813 . . . . 64.42 108.828 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.37 -26.65 68.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.484 0.713 . . . . 72.22 112.915 -173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.79 -55.01 26.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.783 0.833 . . . . 73.25 110.271 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.06 -41.33 70.86 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.689 -0.687 . . . . 74.53 109.95 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 27.0 tp -57.27 -41.07 79.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.725 1.21 . . . . 72.44 111.002 177.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.59 -49.35 75.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.623 0.577 . . . . 75.44 111.056 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -58.3 -54.84 42.46 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.108 0.88 . . . . 75.51 111.507 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -64.53 -33.9 76.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.865 0.466 . . . . 73.22 110.729 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.6 OUTLIER -63.49 -58.62 6.45 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.419 0.687 . . . . 64.33 111.165 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -65.98 -31.48 72.41 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.727 0.642 . . . . 74.53 112.394 -171.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.16 -40.61 96.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.158 0.583 . . . . 73.51 111.189 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.0 mt -82.48 -27.35 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.629 0.771 . . . . 71.24 110.847 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.97 -27.45 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.847 -0.615 . . . . 72.31 109.775 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -76.47 -16.09 59.75 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.658 0.783 . . . . 72.35 110.823 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -77.59 -6.32 53.33 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.984 0.513 . . . . 73.35 110.812 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 50.0 3.43 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.431 0.457 . . . . 74.45 112.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -131.35 144.55 51.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.43 0.692 . . . . 75.25 110.157 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.5 91.07 3.9 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.263 -1.014 . . . . 72.51 108.263 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.479 HG12 ' HG2' ' A' ' 94' ' ' LYS . 30.0 t -104.55 133.53 48.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 108.087 -1.079 . . . . 52.4 108.087 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 4.5 tpt180 -121.69 146.45 47.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 110.166 -0.309 . . . . 75.52 110.166 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.535 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 54.3 mtpt -96.04 138.38 33.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 74.12 108.146 173.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.2 137.83 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 123.416 0.447 . . . . 71.13 110.671 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 p -104.55 -52.91 2.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.996 0.918 . . . . 73.13 109.517 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.51 139.86 42.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.162 0.585 . . . . 64.12 110.474 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB3' HD23 ' A' ' 14' ' ' LEU . 2.8 m-20 -71.55 -36.57 71.0 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.571 0.748 . . . . 74.41 110.098 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.22 -34.93 79.54 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.215 -0.902 . . . . 74.31 110.708 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.9 tt0 -73.95 -33.38 63.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.691 1.196 . . . . 72.15 109.894 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.483 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -59.07 -49.6 77.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.769 0.428 . . . . 54.15 110.612 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.69 -44.82 81.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.923 0.889 . . . . 74.43 111.524 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 19.4 ptmt -75.43 -29.33 59.69 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.083 -0.508 . . . . 75.33 111.633 -172.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.2 mm -72.47 -32.0 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 117.772 0.26 . . . . 71.42 110.404 176.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 113' ' ' ALA . 48.6 t -62.56 -39.5 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 109.72 -0.474 . . . . 65.34 109.72 172.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.3 -41.63 97.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.4 0.68 . . . . 74.01 110.382 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 35.7 mm-40 -63.67 -44.72 92.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.657 0.783 . . . . 73.05 111.236 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.429 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 11.8 m-30 -60.6 -46.47 90.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.164 0.986 . . . . 73.0 112.578 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.547 ' SD ' HG11 ' A' ' 22' ' ' VAL . 74.3 mtm -68.03 -31.19 70.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.488 0.715 . . . . 75.3 111.655 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.42 -47.45 67.22 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.591 0.557 . . . . 74.31 110.862 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -65.23 -42.38 93.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.344 0.658 . . . . 65.2 110.171 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.82 88.77 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.922 0.889 . . . . 61.44 110.905 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.58 -25.99 74.82 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.823 -1.08 . . . . 64.45 112.915 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.4 m -83.97 -27.27 28.58 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.578 0.751 . . . . 65.32 111.092 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.3 -49.96 30.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.093 0.557 . . . . 72.12 109.572 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.601 ' HG3' ' HZ3' ' A' ' 53' ' ' LYS . 10.9 mm-40 -67.81 -37.8 82.44 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.233 -0.894 . . . . 75.34 111.395 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -125.49 103.6 7.97 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.522 0.729 . . . . 65.45 109.229 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -71.69 -19.62 62.04 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.26 0.624 . . . . 73.34 111.376 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -111.24 179.0 4.16 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.16 0.984 . . . . 72.44 109.496 168.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -142.79 81.2 1.72 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.019 -0.734 . . . . 65.03 109.019 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.75 127.49 31.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.838 1.255 . . . . 71.14 111.935 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 124.131 0.972 . . . . 62.41 109.012 176.638 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.669 -0.123 . . . . 71.22 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.857 ' HZ3' ' HA ' ' A' ' 45' ' ' LEU . 18.9 ptpt -165.51 156.26 13.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.179 0.992 . . . . 72.14 108.83 169.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.6 mt -105.23 122.61 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 109.045 -0.724 . . . . 71.22 109.045 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' HB2' HG23 ' A' ' 78' ' ' VAL . 69.1 mt -105.59 111.25 23.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.185 0.594 . . . . 75.14 109.437 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 120' ' ' PHE . 21.9 mm -89.02 99.41 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 107.046 -1.465 . . . . 74.35 107.046 172.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.511 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.2 111.52 23.19 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 106.591 -1.633 . . . . 74.13 106.591 -174.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.61 124.35 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.045 0.538 . . . . 64.25 109.714 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.4 t30 -113.33 114.83 27.2 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.9 -1.148 . . . . 71.05 107.9 174.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -123.4 146.94 47.59 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.36 0.664 . . . . 74.35 110.632 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.19 -36.9 22.47 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.022 -0.535 . . . . 72.51 110.213 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.555 ' HB2' HD21 ' A' ' 14' ' ' LEU . 77.3 m-20 -98.44 131.85 44.37 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.06 -0.973 . . . . 72.23 111.228 -167.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.35 -29.81 70.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.476 1.111 . . . . 71.54 111.9 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.51 -49.47 64.73 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.784 0.834 . . . . 71.43 111.134 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -67.24 -30.11 69.93 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 116.141 -0.481 . . . . 75.13 111.798 -172.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 37.0 mt -57.06 -60.18 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-O 120.947 0.404 . . . . 73.24 110.004 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -69.67 -37.03 76.52 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.53 -0.759 . . . . 73.55 112.472 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.4 mtpt -74.29 -40.99 61.91 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.191 0.596 . . . . 75.14 112.202 -176.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 HG23 HG12 ' A' ' 117' ' ' VAL . 83.0 mt -61.54 -38.62 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 109.514 -0.55 . . . . 72.41 109.514 174.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HG2' HG22 ' A' ' 29' ' ' VAL . 56.4 mtmt -59.32 -35.65 74.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.283 0.364 . . . . 74.41 111.652 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.96 -54.3 28.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.736 0.414 . . . . 74.15 110.43 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.7 mm-40 -46.68 -52.29 14.15 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.727 1.211 . . . . 74.12 112.715 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.619 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 m -87.21 -11.84 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.129 -0.941 . . . . 74.3 112.026 -170.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.0 -45.7 86.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.423 0.689 . . . . 74.02 110.311 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.45 -31.14 71.7 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.825 -1.08 . . . . 55.4 110.747 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -91.58 -1.86 57.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.889 0.875 . . . . 74.52 112.081 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.75 29.19 69.72 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.835 1.094 . . . . 70.43 115.835 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.619 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.4 m-85 -90.06 112.77 24.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 117.704 0.752 . . . . 75.01 109.231 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' HB2' HD12 ' A' ' 54' ' ' ILE . 54.7 mt-30 -70.93 104.32 2.92 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.827 0.851 . . . . 72.31 109.81 -175.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG22 ' HG2' ' A' ' 19' ' ' LYS . 48.7 t -79.35 134.44 27.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.934 0.397 . . . . 75.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -119.95 107.92 13.7 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.405 -1.702 . . . . 65.53 106.405 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.77 119.85 24.4 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.529 -0.545 . . . . 61.42 109.529 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.642 HG13 HD13 ' A' ' 63' ' ' LEU . 98.7 t -111.73 112.49 40.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 N-CA-C 108.16 -1.052 . . . . 75.14 108.16 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -105.55 -28.49 10.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.079 0.952 . . . . 75.3 110.562 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -139.5 162.22 35.6 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.561 0.744 . . . . 64.22 110.211 -168.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -48.81 -45.6 40.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.92 1.288 . . . . 73.32 112.736 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 1.5 m-20 -57.27 -49.29 76.52 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.142 0.577 . . . . 74.53 110.227 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 30.3 mm-40 -55.62 -43.01 75.74 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 124.256 0.973 . . . . 74.25 110.468 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 42' ' ' MET . 6.5 tt -54.97 -56.97 13.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.903 0.881 . . . . 72.11 109.959 173.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 56.6 mtpt -58.86 -33.55 70.58 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.948 -1.024 . . . . 73.44 111.282 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 75.7 mmtt -68.42 -52.42 33.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.464 0.705 . . . . 74.15 110.629 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.2 mm-40 -72.14 -31.82 66.33 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.096 -0.502 . . . . 73.53 111.837 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.508 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.1 mmm -70.59 -24.34 62.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.847 0.459 . . . . 74.12 111.197 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.0 mmtp -64.9 -44.63 88.94 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.971 -0.381 . . . . 73.43 109.971 171.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.88 -30.21 70.77 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.662 0.601 . . . . 74.21 111.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.857 ' HA ' ' HZ3' ' A' ' 2' ' ' LYS . 66.9 mt -70.62 -47.0 62.3 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.994 -0.373 . . . . 75.45 109.994 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.1 -31.76 66.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.846 0.859 . . . . 72.13 113.066 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.32 -41.3 11.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.241 1.016 . . . . 71.11 112.255 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.37 93.05 4.02 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.96 -0.756 . . . . 73.2 108.96 -167.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -106.56 84.24 1.98 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.386 0.674 . . . . 75.21 109.52 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -95.57 -177.75 4.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.225 -1.028 . . . . 75.51 108.225 167.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -81.82 65.72 7.08 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 122.38 1.086 . . . . 75.13 109.513 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.27 118.93 35.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.046 -1.434 . . . . 73.51 109.897 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -82.36 103.47 11.95 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.406 -1.331 . . . . 75.22 107.406 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.584 HG23 HD23 ' A' ' 45' ' ' LEU . 40.9 mm -101.09 115.48 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.835 -0.802 . . . . 75.23 108.835 -175.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -94.13 121.33 35.51 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 107.349 -1.352 . . . . 74.41 107.349 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.733 HG23 ' SD ' ' A' ' 67' ' ' MET . 17.9 mm -100.24 133.35 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 108.236 -1.024 . . . . 65.42 108.236 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.83 123.99 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.465 -0.939 . . . . 75.42 108.465 169.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.5 t -122.08 124.31 43.62 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 107.869 -1.159 . . . . 74.21 107.869 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.81 -5.99 54.89 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 120.996 0.427 . . . . 70.4 110.089 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -133.85 143.33 48.26 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.233 0.457 . . . . 74.45 112.233 -173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -69.59 -37.01 76.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.982 0.913 . . . . 73.34 112.48 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 7.4 tp60 -65.07 -41.22 95.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.382 -0.599 . . . . 75.41 109.382 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.642 HD13 HG13 ' A' ' 32' ' ' VAL . 96.0 mt -56.97 -50.67 71.97 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.675 -0.693 . . . . 72.22 110.376 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.561 HD13 HD12 ' A' ' 80' ' ' LEU . 9.8 tt -56.9 -44.09 81.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 116.013 -0.54 . . . . 75.11 111.462 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 9.0 mtpm? -58.07 -57.44 12.81 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.084 0.954 . . . . 72.3 111.8 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.3 mm-40 -60.57 -43.11 97.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.498 -0.774 . . . . 72.42 110.423 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.733 ' SD ' HG23 ' A' ' 56' ' ' ILE . 11.1 ttp -59.25 -47.74 84.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.626 -1.17 . . . . 60.12 111.52 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 71' ' ' ILE . 56.5 mt -66.1 -31.94 73.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.835 0.454 . . . . 75.31 111.635 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -41.54 96.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.324 0.65 . . . . 64.34 109.622 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 89.8 mt -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.706 -1.134 . . . . 72.14 111.093 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.646 HD11 HD22 ' A' ' 68' ' ' LEU . 91.0 mt -64.75 -34.23 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.539 0.736 . . . . 75.43 110.403 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -61.21 -33.13 72.98 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.779 0.831 . . . . 65.12 110.301 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -75.84 -44.77 39.31 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.594 0.757 . . . . 73.44 110.872 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.1 mt -69.14 -33.36 73.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.443 0.697 . . . . 64.42 112.293 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 68.87 1.44 Allowed Glycine 0 C--N 1.347 1.159 0 O-C-N 123.371 0.419 . . . . 71.14 113.519 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -126.08 148.85 49.25 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.318 0.647 . . . . 71.32 111.119 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -80.36 113.18 18.35 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.966 -1.124 . . . . 63.52 107.966 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 4' ' ' LEU . 66.3 t -103.93 135.59 40.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.731 0.813 . . . . 74.32 110.727 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 89.9 m-85 -106.15 113.97 27.83 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.441 -1.689 . . . . 75.3 106.441 163.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.561 HD12 HD13 ' A' ' 64' ' ' LEU . 62.8 tp -100.54 127.16 46.99 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.763 0.425 . . . . 74.44 110.236 -176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 22.2 tp -107.83 115.41 30.08 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.409 1.084 . . . . 73.31 108.358 166.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.98 112.17 24.46 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 107.717 -1.216 . . . . 71.44 107.717 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.64 103.95 14.78 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.991 -1.115 . . . . 75.12 107.991 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.18 118.81 23.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.85 -1.537 . . . . 74.21 106.85 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -68.03 -22.71 64.95 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.192 0.932 . . . . 74.34 110.059 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -98.9 115.05 27.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.361 -1.348 . . . . 63.51 107.361 171.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -85.84 6.63 27.29 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.34 0.867 . . . . 72.33 113.34 -173.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.68 -33.67 25.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.238 -1.023 . . . . 72.12 108.238 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.67 -50.58 62.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.53 0.732 . . . . 74.0 109.887 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.577 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 39.7 tp -57.34 -54.42 46.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.442 1.089 . . . . 73.54 111.656 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.43 -54.21 43.57 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.071 0.548 . . . . 75.11 112.375 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -57.42 -40.74 78.98 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.933 0.771 . . . . 74.11 112.336 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.417 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 3.2 t80 -75.42 -37.13 60.61 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.756 0.422 . . . . 74.24 110.071 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -63.34 -53.6 50.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.662 1.185 . . . . 74.42 111.773 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -58.5 -32.6 68.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.305 0.642 . . . . 72.12 112.278 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.27 -51.76 58.68 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.438 0.637 . . . . 70.4 110.969 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 102' ' ' TYR . 63.8 mt -77.77 -30.01 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 114.956 -1.02 . . . . 75.25 111.862 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.45 -21.89 55.31 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.514 0.725 . . . . 71.24 110.162 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -76.63 -20.4 56.75 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.285 0.634 . . . . 72.34 110.879 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -86.69 8.65 21.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.646 0.778 . . . . 73.42 111.036 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.36 18.16 72.05 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 114.052 0.381 . . . . 74.31 114.052 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' HB2' HG21 ' A' ' 97' ' ' ILE . 89.7 m-85 -94.59 131.74 40.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.078 0.551 . . . . 75.44 109.746 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -72.39 99.95 2.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.594 0.757 . . . . 70.13 109.524 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.537 HG23 HD22 ' A' ' 80' ' ' LEU . 19.3 t -99.02 125.49 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 109.899 -0.408 . . . . 74.12 109.899 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 148.49 28.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.979 -0.748 . . . . 75.13 108.979 174.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 106' ' ' LYS . 8.3 mtpm? -96.38 147.57 23.68 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.787 0.835 . . . . 73.24 110.757 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -166.76 149.61 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.45 0.7 . . . . 74.35 110.59 163.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.3 p -120.08 -39.67 2.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.662 1.185 . . . . 74.5 109.482 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.56 148.41 35.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.67 0.788 . . . . 61.53 110.748 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.62 -46.63 21.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.892 0.877 . . . . 73.22 110.044 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.62 -41.5 96.15 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.413 -0.812 . . . . 75.32 109.962 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 116' ' ' ILE . 25.2 tt0 -68.63 -36.65 78.9 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 115.865 -0.607 . . . . 63.24 111.087 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.527 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -53.99 -44.79 71.12 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.851 0.46 . . . . 74.42 111.741 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.501 HD11 ' HE2' ' A' ' 17' ' ' LYS . 75.4 mt -60.16 -44.59 94.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 123.649 0.593 . . . . 74.41 111.401 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 21.0 pttp -77.26 -18.16 57.82 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.001 0.52 . . . . 74.32 111.478 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.4 mm -79.14 -32.44 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 122.64 0.376 . . . . 75.21 110.243 170.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 113' ' ' ALA . 98.1 t -61.79 -39.81 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.877 0.471 . . . . 73.22 110.37 174.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.1 ptm180 -71.01 -22.15 62.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.083 -0.508 . . . . 74.11 111.21 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.462 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 70.2 mm-40 -64.58 -42.43 95.63 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.765 0.426 . . . . 75.02 110.006 171.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.552 ' HB3' HD12 ' A' ' 5' ' ' ILE . 27.2 m-85 -66.69 -42.57 86.25 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.71 -0.677 . . . . 75.13 111.086 175.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.601 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.9 mtm -65.29 -30.88 71.79 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.007 0.523 . . . . 72.24 111.741 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.52 -54.74 31.5 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.766 1.227 . . . . 75.32 111.0 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.462 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 52.3 mttp -74.58 -31.59 62.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.144 -0.934 . . . . 74.12 111.529 -172.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.27 64.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.799 0.839 . . . . 73.51 110.305 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.55 75.19 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 123.486 0.491 . . . . 74.51 112.146 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 m -80.5 -40.5 25.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.492 0.717 . . . . 74.33 110.143 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.66 -10.82 59.85 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.417 0.687 . . . . 73.24 111.103 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.46 -33.88 76.98 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.621 0.768 . . . . 75.03 110.055 169.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -69.45 -36.07 76.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.913 0.485 . . . . 71.33 110.312 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -76.02 95.93 3.7 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.157 0.583 . . . . 75.11 109.528 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -145.46 116.62 7.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.239 1.016 . . . . 75.22 108.389 173.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -74.32 140.17 44.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 73.42 111.387 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -69.12 141.14 54.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.763 0.825 . . . . 71.33 110.575 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 36.0 m80 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.664 0.786 . . . . 73.31 109.591 -173.257 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.049 0.452 . . . . 64.41 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -144.1 137.82 27.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.242 0.617 . . . . 74.12 110.27 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.631 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 44.2 mt -94.85 138.77 20.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.971 0.909 . . . . 73.51 108.869 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -110.3 116.35 31.32 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.688 0.795 . . . . 74.31 109.999 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 29.8 mm -89.02 106.66 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 107.659 -1.237 . . . . 74.34 107.659 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.677 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -94.25 126.78 39.71 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.822 -1.177 . . . . 63.54 107.822 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.501 HD11 HD23 ' A' ' 55' ' ' LEU . 70.6 mt -129.55 126.33 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 108.705 -0.85 . . . . 73.52 108.705 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -118.45 119.54 34.89 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.161 -1.052 . . . . 74.23 108.161 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 14' ' ' LEU . 8.0 t -124.95 142.77 51.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.306 -0.628 . . . . 71.31 109.306 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -88.71 -9.22 52.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.956 -0.565 . . . . 74.53 110.527 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -110.64 113.9 26.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.228 1.011 . . . . 62.3 109.588 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.34 -15.89 58.76 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.495 1.118 . . . . 70.22 112.933 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -56.83 -42.1 79.01 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.483 0.49 . . . . 73.42 110.411 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB2' HG23 ' A' ' 9' ' ' THR . 3.9 mm? -64.4 -31.73 73.05 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.144 -0.48 . . . . 62.22 112.125 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG21 ' HE3' ' A' ' 19' ' ' LYS . 36.2 mt -62.44 -57.44 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.574 -0.528 . . . . 73.43 109.574 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -64.97 -36.51 84.62 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.331 -0.849 . . . . 73.22 111.705 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -68.52 -50.21 53.84 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.221 0.609 . . . . 74.33 111.928 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.89 -32.18 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.499 0.72 . . . . 72.54 110.777 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HG2' HG11 ' A' ' 29' ' ' VAL . 97.3 mttt -58.47 -36.36 73.6 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.801 0.44 . . . . 72.23 111.582 174.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -75.6 -47.07 28.19 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.627 -0.508 . . . . 74.01 109.627 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.45 -53.6 35.39 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.279 1.031 . . . . 73.3 112.957 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.494 HG23 HD11 ' A' ' 55' ' ' LEU . 11.6 m -88.29 -2.13 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 115.865 -0.607 . . . . 74.43 111.91 -172.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.97 -41.29 97.6 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.046 -0.724 . . . . 74.33 109.046 166.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -68.98 -13.02 62.21 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.762 -1.108 . . . . 74.3 111.562 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.27 -4.72 17.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.549 0.74 . . . . 75.11 111.363 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.62 30.19 75.98 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.956 0.742 . . . . 74.5 114.956 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -98.14 121.15 39.72 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.359 -0.978 . . . . 72.43 108.359 173.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.68 113.9 12.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.564 0.54 . . . . 74.4 110.294 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' HG2' ' A' ' 19' ' ' LYS . 2.8 t -85.56 128.53 39.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.48 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -128.77 149.16 50.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.684 1.194 . . . . 74.22 108.339 168.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.09 132.07 27.78 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.883 0.873 . . . . 72.51 109.155 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.66 120.24 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.465 0.706 . . . . 74.33 109.628 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -100.29 -24.16 14.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.406 1.082 . . . . 74.23 111.22 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.23 142.47 50.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.94 0.496 . . . . 75.21 110.617 -168.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 m -65.62 -38.64 89.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.745 0.818 . . . . 73.13 112.384 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.04 -37.3 84.41 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.582 0.753 . . . . 70.31 110.516 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 35.5 mm-40 -71.47 -42.36 68.22 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.122 -0.944 . . . . 73.41 110.236 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.27 -56.28 13.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.592 1.157 . . . . 75.41 111.499 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.94 -37.55 79.87 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.133 0.896 . . . . 74.34 111.202 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 34.4 mtmm -71.78 -32.7 67.93 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.971 -0.558 . . . . 74.22 111.856 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . 30.3 mt-10 -85.02 -19.26 32.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.157 0.583 . . . . 75.3 111.62 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.523 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 9.6 mmt -68.32 -31.79 71.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.735 0.414 . . . . 74.22 109.994 167.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 40' ' ' LYS . 9.4 mtmp? -71.21 -45.52 63.15 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.741 -0.663 . . . . 74.41 109.228 172.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.663 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 4.1 mmmp? -52.49 -41.21 63.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.296 1.038 . . . . 64.42 112.769 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.96 -36.96 85.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.819 0.448 . . . . 74.11 111.586 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.696 ' HB2' HD23 ' A' ' 74' ' ' LEU . . . -84.85 -22.56 29.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.859 0.864 . . . . 70.24 112.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -89.05 -41.59 12.23 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.936 -0.764 . . . . 70.4 108.936 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -93.58 84.17 4.62 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.065 -1.457 . . . . 71.34 107.065 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.609 ' HZ1' ' HB3' ' A' ' 49' ' ' LYS . 7.5 mtpm? -86.34 9.3 18.33 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.406 -1.27 . . . . 75.14 112.417 -170.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.25 148.35 18.69 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.728 0.811 . . . . 74.33 110.968 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.8 -22.1 65.16 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.747 0.819 . . . . 74.21 113.061 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -50.42 127.66 18.04 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.394 1.078 . . . . 73.23 112.632 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 63.0 mmtt -83.34 134.94 34.88 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.592 0.757 . . . . 73.25 109.056 -178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -110.44 131.44 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.74 -0.467 . . . . 74.31 109.74 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 7' ' ' ILE . 7.6 tt -102.06 122.63 44.46 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 107.482 -1.303 . . . . 75.14 107.482 174.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.677 ' HB ' HD23 ' A' ' 6' ' ' LEU . 30.3 mm -108.46 122.87 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.039 -0.726 . . . . 73.31 109.039 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.9 mt -105.31 144.78 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.654 0.781 . . . . 73.43 109.42 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.1 t -142.64 154.38 44.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.806 0.843 . . . . 72.05 108.868 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.413 ' ND2' HD11 ' A' ' 15' ' ' ILE . 21.6 m120 -94.94 -26.11 16.26 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.269 0.557 . . . . 74.31 110.116 172.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -108.37 125.54 51.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.978 -1.01 . . . . 74.43 109.615 -167.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 49.9 mtmt -72.95 -24.48 60.8 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.14 -0.937 . . . . 73.42 112.372 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.3 -39.05 65.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.837 0.455 . . . . 72.44 109.824 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -58.11 -47.08 84.36 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 116.005 -0.543 . . . . 71.32 109.598 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.747 HD12 HD13 ' A' ' 80' ' ' LEU . 7.3 tt -54.99 -43.47 73.58 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.751 -1.113 . . . . 64.42 111.753 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.502 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 8.5 mtpm? -55.75 -58.57 7.26 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.683 0.614 . . . . 75.11 111.193 176.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.21 -40.06 84.62 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.949 0.781 . . . . 73.43 111.12 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.534 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.5 tpp -53.3 -57.35 10.85 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.209 1.404 . . . . 71.43 110.456 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 71' ' ' ILE . 82.1 mt -67.37 -34.38 77.17 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.359 0.663 . . . . 74.43 112.652 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.72 -38.27 86.36 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.6 0.563 . . . . 75.44 110.819 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -73.94 -33.82 64.07 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.737 -0.665 . . . . 75.33 111.08 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.543 HD11 HD21 ' A' ' 68' ' ' LEU . 94.8 mt -65.25 -32.21 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.255 0.622 . . . . 75.22 110.512 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -63.68 -33.12 74.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.413 0.685 . . . . 72.01 110.479 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -77.77 -32.29 52.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.729 -0.669 . . . . 75.52 110.6 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' ' 46' ' ' ALA . 81.1 mt -69.27 -33.79 73.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.375 0.67 . . . . 74.35 110.682 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.96 57.75 3.16 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.786 0.679 . . . . 72.51 112.435 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.96 154.72 38.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.028 0.531 . . . . 73.43 110.24 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -80.77 126.89 31.87 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.264 0.626 . . . . 74.5 109.99 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -107.46 132.71 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.888 0.475 . . . . 72.44 110.293 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 74.6 m-85 -114.79 114.16 25.2 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 107.079 -1.452 . . . . 75.51 107.079 165.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.747 HD13 HD12 ' A' ' 64' ' ' LEU . 40.8 tp -109.15 132.76 53.81 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.409 0.684 . . . . 75.02 111.753 -168.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 29.0 tp -118.86 117.33 28.57 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.43 1.092 . . . . 61.01 108.688 174.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.87 112.15 24.24 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.841 0.456 . . . . 74.42 110.01 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 53.1 tt0 -101.53 105.1 16.03 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.08 -1.082 . . . . 74.54 108.08 173.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 90' ' ' LEU . 22.0 t70 -153.87 129.96 10.34 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.321 -0.992 . . . . 71.41 108.321 -176.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -84.75 -14.0 49.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.277 0.631 . . . . 72.34 111.967 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.98 69.91 6.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.583 -0.895 . . . . 74.41 108.583 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.625 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 42.5 mt-10 -57.14 -19.19 18.65 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.977 1.103 . . . . 75.32 113.977 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.43 -54.12 41.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 70.41 109.905 172.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.22 -41.33 77.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.363 -0.835 . . . . 74.23 110.17 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.625 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 49.8 tp -65.44 -31.03 71.9 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 124.525 1.13 . . . . 74.22 111.846 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -66.64 -48.45 69.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.535 -0.543 . . . . 73.2 109.535 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.42 -47.99 81.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.768 -1.105 . . . . 71.32 110.323 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 71.1 t80 -58.72 -42.89 89.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.497 -1.229 . . . . 75.43 110.784 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.9 -51.97 64.88 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.913 -1.04 . . . . 73.45 110.691 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -60.26 -31.57 70.34 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.845 0.716 . . . . 75.42 112.007 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -57.65 -50.34 73.5 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.436 0.636 . . . . 74.34 110.156 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.7 mt -80.19 -27.56 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 114.339 -1.3 . . . . 73.51 111.598 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -73.3 -32.7 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.051 0.94 . . . . 72.34 109.539 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -74.32 -14.53 60.9 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.506 0.722 . . . . 61.43 110.967 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -86.24 9.74 16.77 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.624 0.769 . . . . 75.04 111.399 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.31 21.77 78.47 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 122.862 0.268 . . . . 71.51 113.69 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -96.11 144.98 25.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.884 0.474 . . . . 64.52 110.701 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -76.46 100.3 5.19 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.447 -0.945 . . . . 74.31 108.447 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.71 114.74 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.166 -0.309 . . . . 75.42 110.166 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.581 ' HG2' HG22 ' A' ' 116' ' ' ILE . 2.2 tpm_? -101.34 143.89 30.83 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.456 0.702 . . . . 74.2 109.558 174.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -95.94 145.17 25.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 123.754 0.822 . . . . 75.11 108.893 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 13.1 p -153.88 147.68 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.089 -0.708 . . . . 74.35 109.089 173.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.7 p -119.8 -28.91 5.12 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.416 0.686 . . . . 75.2 110.411 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.06 144.35 25.34 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.673 0.789 . . . . 71.32 110.885 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.57 -44.67 33.67 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.122 1.369 . . . . 73.32 110.93 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.85 -37.14 78.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.269 -0.878 . . . . 74.53 109.808 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' ILE . 8.5 tp10 -61.36 -47.94 83.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.833 -1.076 . . . . 74.22 110.358 175.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.64 -44.97 66.46 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.212 0.945 . . . . 60.4 112.172 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.13 -39.58 69.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.809 0.844 . . . . 72.35 111.854 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -77.15 -32.72 56.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.404 -0.816 . . . . 73.51 111.316 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.581 HG22 ' HG2' ' A' ' 105' ' ' ARG . 24.2 mm -69.56 -30.99 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.491 0.186 . . . . 75.45 110.511 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.2 t -57.03 -38.82 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 123.014 0.526 . . . . 65.41 109.946 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -59.41 -38.76 81.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.124 -0.944 . . . . 73.42 111.358 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.87 -55.1 38.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.981 0.801 . . . . 75.3 111.071 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 27.4 m-85 -55.3 -47.79 75.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.009 0.818 . . . . 70.44 112.894 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.02 -38.88 92.7 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.263 0.977 . . . . 72.43 111.737 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -70.38 -41.47 73.03 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.581 0.752 . . . . 72.5 111.464 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.58 -41.83 68.53 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.693 0.797 . . . . 73.44 109.72 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.67 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.79 0.836 . . . . 71.0 111.077 172.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.08 -35.89 92.34 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.041 -0.981 . . . . 32.12 112.131 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.1 m -70.65 -35.76 73.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.82 0.448 . . . . 72.32 110.712 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.3 -34.03 76.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.743 0.817 . . . . 74.43 111.246 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.58 ' HG3' ' HE3' ' A' ' 53' ' ' LYS . 39.2 mm-40 -82.26 -6.94 59.58 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.108 0.563 . . . . 74.32 111.852 176.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 57.41 42.75 24.24 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.211 1.005 . . . . 73.22 110.214 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 127.85 32.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 114.626 -1.17 . . . . 75.51 110.141 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -83.92 54.67 2.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.169 0.985 . . . . 73.54 112.093 -168.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -133.14 80.6 1.89 Allowed 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.47 -1.678 . . . . 72.23 106.47 164.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -148.44 137.57 21.81 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.222 -1.354 . . . . 75.1 108.797 -172.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.6 m170 . . . . . 0 C--O 1.25 1.115 0 N-CA-C 109.12 -0.696 . . . . 75.02 109.12 178.152 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB2' ' HE1' ' A' ' 76' ' ' TYR . 1.1 mpt? . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.704 0.287 . . . . 73.32 110.246 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HA ' ' HZ3' ' A' ' 53' ' ' LYS . 16.6 pttt -163.93 159.0 20.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.189 0.518 . . . . 71.23 111.358 -175.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.484 HG12 ' HB2' ' A' ' 77' ' ' LYS . 79.8 mt -107.83 133.63 52.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-N 114.893 -1.049 . . . . 71.02 108.833 177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.75 117.58 34.56 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.542 0.737 . . . . 74.15 109.541 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.18 103.46 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.667 -1.235 . . . . 74.33 107.667 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.42 126.69 36.59 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 106.781 -1.563 . . . . 75.42 106.781 -177.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.8 mt -131.32 125.31 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 121.218 0.532 . . . . 74.51 110.243 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.38 116.31 28.71 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.938 -1.504 . . . . 64.45 106.938 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.457 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.4 t -119.93 145.01 47.13 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.914 -0.773 . . . . 73.31 108.914 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.05 -28.19 54.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.633 0.773 . . . . 75.53 109.9 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -97.68 138.15 35.51 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.37 -0.832 . . . . 74.53 111.698 -170.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.59 -33.39 71.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.655 1.182 . . . . 74.33 110.956 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -39.56 81.38 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.504 -0.771 . . . . 75.41 110.728 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 110' ' ' ASP . 4.4 mm? -67.75 -23.45 65.25 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.38 0.511 . . . . 74.21 112.38 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.436 HG23 HG21 ' A' ' 57' ' ' ILE . 68.6 mt -57.24 -58.39 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 O-C-N 123.415 0.447 . . . . 73.23 109.862 171.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -71.84 -33.73 68.71 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.236 0.615 . . . . 72.12 112.425 -174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.83 -44.38 66.61 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.038 0.535 . . . . 72.24 111.2 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' HG11 ' A' ' 22' ' ' VAL . 66.1 mt -61.55 -39.82 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 123.823 0.702 . . . . 75.22 109.499 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HG2' HG21 ' A' ' 29' ' ' VAL . 96.8 mttt -56.49 -38.63 72.02 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 123.332 0.395 . . . . 73.44 111.645 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.8 mmpt? -68.72 -49.76 56.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.293 0.37 . . . . 73.43 111.207 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.3 mm-40 -50.39 -47.37 56.4 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.587 0.755 . . . . 75.32 112.001 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.583 HG12 ' SD ' ' A' ' 121' ' ' MET . 5.2 m -83.73 -21.25 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.268 0.627 . . . . 74.31 112.588 -173.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 36.9 tt0 -62.77 -39.17 93.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.786 0.835 . . . . 73.24 110.172 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -83.88 -1.58 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.165 -0.925 . . . . 74.53 111.74 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 32.2 mm-40 -110.17 -3.4 16.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.354 0.662 . . . . 64.1 111.754 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.24 32.81 55.19 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 114.28 0.472 . . . . 71.25 114.28 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.63 109.32 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.678 0.791 . . . . 74.12 109.366 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -83.12 114.28 21.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.269 1.028 . . . . 74.34 110.936 -169.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.442 HG21 ' HG2' ' A' ' 19' ' ' LYS . 44.5 t -81.96 141.4 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.23 0.612 . . . . 75.31 111.172 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB2' HD13 ' A' ' 56' ' ' ILE . 18.7 mmt85 -125.3 124.57 41.9 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.326 -1.361 . . . . 73.34 107.326 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -86.18 120.69 27.82 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 108.986 -0.746 . . . . 71.4 108.986 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.78 114.74 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.883 -1.154 . . . . 72.35 107.883 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -139.08 15.74 2.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.704 0.802 . . . . 64.33 110.262 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 21.6 t70 -145.05 150.52 37.01 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.166 -0.679 . . . . 72.02 109.166 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -55.36 -39.86 70.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.496 1.118 . . . . 71.15 112.975 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 29.6 m-20 -65.38 -39.42 92.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.108 0.563 . . . . 75.43 111.315 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 9.4 mm-40 -60.24 -41.51 93.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.347 0.659 . . . . 73.14 110.115 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.56 -51.52 69.07 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.925 -0.58 . . . . 75.15 110.902 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -64.18 -24.57 67.72 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.587 0.755 . . . . 73.45 112.109 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 31.8 mmmt -80.18 -55.93 4.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.182 0.593 . . . . 74.54 110.749 176.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.48 -36.3 76.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.174 0.589 . . . . 74.25 112.465 -169.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.495 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.1 mmm -68.65 -28.37 66.83 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.249 0.343 . . . . 74.12 111.519 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -74.73 -31.34 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.995 -0.526 . . . . 73.41 110.88 173.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -40.26 95.34 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.25 0.547 . . . . 73.4 110.21 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.86 -45.29 82.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.467 -1.242 . . . . 73.43 109.807 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.23 72.33 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.953 0.901 . . . . 61.21 112.722 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.11 -10.23 59.4 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.063 0.945 . . . . 75.13 112.23 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 78.08 -41.74 0.33 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.303 1.441 . . . . 73.22 111.951 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.71 71.52 0.08 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.809 1.243 . . . . 72.42 113.677 -168.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 171.28 72.63 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.934 2.094 . . . . 63.11 106.735 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -58.19 -28.93 65.25 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.288 1.035 . . . . 74.11 111.55 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -42.72 140.36 1.34 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.846 1.658 . . . . 74.03 112.516 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HZ3' ' HA ' ' A' ' 2' ' ' LYS . 10.6 mmpt? -71.81 109.47 5.71 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.013 -1.106 . . . . 63.43 108.013 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.85 131.46 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-O 121.184 0.516 . . . . 74.13 109.784 -167.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -110.1 129.2 55.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.242 -1.392 . . . . 74.22 107.242 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.591 ' HB ' HD23 ' A' ' 6' ' ' LEU . 22.1 mm -110.78 113.73 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.138 -0.69 . . . . 74.42 109.138 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -91.48 113.72 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.474 -0.936 . . . . 74.23 108.474 169.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -126.35 117.75 23.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.099 -1.075 . . . . 61.21 108.099 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -89.93 2.6 54.88 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.48 0.712 . . . . 75.23 110.531 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.05 120.49 42.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.089 -1.078 . . . . 74.03 108.089 172.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.91 -21.19 47.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.945 0.498 . . . . 75.03 112.163 -172.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 7.0 tp60 -68.74 -45.95 70.13 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.361 -0.607 . . . . 72.4 109.361 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.29 -42.97 87.76 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.037 0.836 . . . . 75.41 110.191 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD12 HD12 ' A' ' 80' ' ' LEU . 6.2 tt -53.83 -47.88 70.47 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.96 0.788 . . . . 75.31 110.827 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -61.4 -50.28 73.49 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.769 0.828 . . . . 74.14 111.689 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 22.3 mm-40 -57.13 -47.05 82.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.625 0.726 . . . . 74.23 110.132 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' HG23 ' A' ' 56' ' ' ILE . 6.8 ttp -63.01 -40.84 98.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.447 -1.706 . . . . 75.42 111.876 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 71' ' ' ILE . 73.7 mt -66.84 -37.68 84.94 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.62 0.368 . . . . 74.41 111.439 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.15 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.383 0.427 . . . . 75.51 110.745 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.23 -47.16 74.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.437 0.695 . . . . 75.14 110.963 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 67' ' ' MET . 74.1 mt -63.58 -34.29 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 123.69 0.796 . . . . 75.24 110.376 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -63.68 -41.86 98.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.671 0.788 . . . . 65.02 110.286 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.78 -25.64 56.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.296 0.638 . . . . 74.14 110.995 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.2 mt -79.28 -27.14 42.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.435 0.694 . . . . 71.41 110.872 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 39.89 26.87 Favored Glycine 0 C--N 1.347 1.167 0 C-N-CA 123.405 0.526 . . . . 62.21 114.344 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.495 ' HE1' ' HB2' ' A' ' 1' ' ' MET . 29.0 m-85 -99.08 151.16 21.26 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 117.155 0.478 . . . . 72.33 110.37 173.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.484 ' HB2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -70.21 133.89 47.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.518 0.727 . . . . 75.22 110.113 174.392 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.22 121.47 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.216 0.607 . . . . 73.14 110.076 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -112.43 114.79 27.68 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 106.155 -1.794 . . . . 74.15 106.155 167.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.497 HD22 HG13 ' A' ' 104' ' ' VAL . 61.2 tp -115.32 126.81 54.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.907 0.883 . . . . 74.45 110.581 -168.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.417 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 29.5 tp -110.68 116.55 31.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.789 0.836 . . . . 71.31 109.3 175.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.61 113.05 26.09 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.965 -0.754 . . . . 75.51 108.965 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 48.8 tt0 -106.01 109.56 21.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.791 0.436 . . . . 74.44 109.892 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 11.7 t70 -149.19 127.77 12.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.881 -1.155 . . . . 74.42 107.881 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -81.67 -7.52 59.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.333 0.653 . . . . 64.31 112.173 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.79 101.12 11.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 106.646 -1.613 . . . . 73.32 106.646 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 44.2 mt-10 -70.68 -12.96 61.88 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.523 -0.762 . . . . 72.14 112.778 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.14 -45.32 27.2 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.128 -0.693 . . . . 73.23 109.128 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.89 -39.9 79.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.189 0.595 . . . . 73.31 110.227 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 38.8 tp -63.97 -45.19 90.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.518 -1.219 . . . . 75.01 110.812 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.06 -47.97 82.31 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.774 0.671 . . . . 75.4 111.574 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.13 -43.47 92.0 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.056 0.847 . . . . 72.02 111.798 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -76.04 -31.67 58.95 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.224 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HG2' HG11 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -67.96 -50.21 57.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.909 0.884 . . . . 74.42 109.468 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.63 -23.44 60.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.507 0.504 . . . . 75.51 111.457 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.4 -48.0 83.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.222 1.009 . . . . 70.24 111.004 172.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -86.85 -17.0 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 114.934 -1.03 . . . . 74.32 110.959 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.29 -34.37 73.66 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.462 0.705 . . . . 73.12 110.373 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 t -68.15 -23.06 64.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.209 1.004 . . . . 71.11 111.937 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.72 -20.74 64.41 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.324 0.65 . . . . 65.13 111.648 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.45 53.03 3.19 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.883 -0.487 . . . . 64.2 111.883 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -124.45 163.08 22.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.56 0.744 . . . . 72.44 110.173 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.51 98.04 5.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.395 -1.335 . . . . 75.21 107.395 164.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.513 HG11 ' HG2' ' A' ' 94' ' ' LYS . 15.3 t -114.38 118.39 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 74.4 108.113 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -112.09 149.68 31.78 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.75 0.42 . . . . 72.31 110.562 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.98 146.61 24.47 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.114 0.966 . . . . 71.33 108.747 171.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 p -159.71 140.95 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 123.557 0.743 . . . . 74.51 110.146 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.0 p -125.12 -30.17 3.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.048 0.939 . . . . 75.33 110.54 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -90.92 148.1 22.68 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.494 0.718 . . . . 64.05 110.469 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.476 ' HB2' HD23 ' A' ' 14' ' ' LEU . 3.0 p-10 -72.31 -43.4 64.23 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.298 0.639 . . . . 75.12 111.697 -172.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 34.3 mt-10 -73.91 -36.24 64.7 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.38 -0.6 . . . . 74.12 109.38 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.33 -40.18 77.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.354 1.034 . . . . 75.12 110.395 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -56.94 -49.92 74.17 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 123.961 0.788 . . . . 65.43 110.748 175.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 58.0 mt -58.41 -44.78 89.18 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.274 0.984 . . . . 62.33 110.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 2.9 mmmp? -63.44 -42.7 98.66 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.919 0.888 . . . . 74.53 111.279 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.74 -32.9 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 123.506 0.504 . . . . 74.44 111.296 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 113' ' ' ALA . 45.4 t -63.68 -38.61 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 109.465 -0.569 . . . . 71.11 109.465 172.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 19.0 mtp180 -76.99 -18.78 57.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.349 0.66 . . . . 71.15 111.428 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -66.6 -54.74 20.25 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 108.477 -0.935 . . . . 74.34 108.477 164.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.417 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 21.8 m-30 -53.89 -47.33 71.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.514 1.126 . . . . 74.03 112.292 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.583 ' SD ' HG12 ' A' ' 22' ' ' VAL . 72.6 mtm -71.85 -39.18 69.89 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.072 0.858 . . . . 75.45 111.934 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.1 -43.84 94.13 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.37 0.605 . . . . 71.11 110.232 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 94.0 mttt -73.02 -41.77 63.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.722 -1.126 . . . . 74.32 110.197 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.86 79.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.341 0.656 . . . . 72.35 110.672 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -72.36 -26.16 72.65 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.731 0.644 . . . . 72.12 111.808 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.9 t -81.76 -24.78 35.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.465 0.706 . . . . 73.51 110.129 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 87.4 mt -73.0 -44.03 61.48 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 109.225 -0.657 . . . . 75.05 109.225 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.442 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 73.5 mm-40 -65.69 -2.56 3.71 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.429 1.092 . . . . 75.15 113.921 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -58.69 165.1 2.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.553 0.741 . . . . 75.31 110.653 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -69.72 80.6 0.44 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.005 0.922 . . . . 75.33 110.887 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.2 m170 152.0 80.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 128.985 2.914 . . . . 75.34 107.806 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -153.07 174.9 13.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.849 0.46 . . . . 75.12 110.829 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -64.58 117.62 7.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.017 -1.105 . . . . 72.14 108.017 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 67.2 t60 . . . . . 0 N--CA 1.483 1.222 0 C-N-CA 124.644 1.177 . . . . 74.25 111.707 -170.394 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.837 -0.431 . . . . 73.44 109.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -154.58 130.82 10.37 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.25 -1.019 . . . . 74.05 108.25 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.41 HD12 ' HE1' ' A' ' 79' ' ' PHE . 39.6 mm -93.95 127.23 46.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 109.184 -0.673 . . . . 64.1 109.184 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.87 112.61 21.31 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.858 -0.793 . . . . 70.42 108.858 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.419 HD11 ' HB3' ' A' ' 120' ' ' PHE . 24.9 mm -88.4 107.27 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 107.779 -1.193 . . . . 74.23 107.779 175.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.644 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.33 132.81 38.55 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 107.428 -1.323 . . . . 74.33 107.428 -179.39 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 81' ' ' LEU . 64.4 mt -134.97 134.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.325 0.65 . . . . 75.23 109.73 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.438 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 2.5 t-20 -109.96 110.25 21.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -128.57 133.78 48.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.978 -1.119 . . . . 74.22 107.978 163.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -83.58 -5.27 59.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.119 0.968 . . . . 72.11 110.269 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -109.18 127.28 54.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.242 1.017 . . . . 74.21 110.558 -174.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.57 -27.49 69.28 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.283 1.033 . . . . 74.44 112.349 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.56 -45.07 94.61 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.869 0.73 . . . . 71.03 109.841 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 110' ' ' ASP . 4.5 mm? -72.73 -28.83 62.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.915 -0.564 . . . . 75.11 111.95 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 59' ' ' ASN . 55.8 mt -59.31 -54.03 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 175.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 20.7 ptmt -72.56 -31.97 65.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.299 -0.864 . . . . 75.13 112.102 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HE2' HD13 ' A' ' 114' ' ' LEU . 61.2 mtpt -69.83 -42.83 73.09 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.877 0.471 . . . . 75.42 111.108 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.73 -34.86 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.708 0.63 . . . . 74.41 109.957 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.2 mttt -58.3 -40.1 81.09 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.245 0.341 . . . . 62.25 111.265 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 1.3 mmmp? -72.89 -44.91 60.74 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.821 0.449 . . . . 74.25 110.468 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -49.73 -53.46 24.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.356 1.062 . . . . 73.54 112.372 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.582 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 m -84.81 -15.4 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.49 -0.777 . . . . 74.34 111.638 -171.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.42 -40.58 74.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.549 1.14 . . . . 64.2 110.2 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -67.49 -35.36 79.0 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.099 -0.955 . . . . 73.1 110.732 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.18 -0.54 56.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.388 0.675 . . . . 75.01 112.0 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.1 52.22 43.27 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.162 0.825 . . . . 62.21 115.162 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.3 m-85 -113.95 119.33 36.87 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.762 -0.829 . . . . 64.2 108.762 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 2.3 mp0 -80.61 105.81 12.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.337 0.655 . . . . 74.42 109.773 -175.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.11 139.37 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.007 0.432 . . . . 62.11 110.866 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -125.27 145.54 49.96 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 106.141 -1.8 . . . . 74.23 106.141 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -125.73 140.04 53.03 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 118.17 0.441 . . . . 74.24 109.815 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.9 t -131.61 125.26 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.304 1.042 . . . . 73.11 110.15 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -130.08 10.11 5.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.438 1.095 . . . . 73.05 111.247 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.97 147.38 28.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.79 0.436 . . . . 74.0 109.959 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 p -59.47 -32.99 70.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.823 1.249 . . . . 75.31 113.028 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.53 -42.92 86.48 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.17 0.588 . . . . 72.22 110.193 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.38 -41.82 90.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 123.907 0.754 . . . . 73.02 110.072 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.13 -51.13 71.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.405 1.082 . . . . 72.31 111.958 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.45 -33.55 76.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.532 0.733 . . . . 73.12 111.011 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -66.96 -39.19 87.18 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 115.271 -0.877 . . . . 71.22 110.932 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -71.44 -27.73 63.48 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.23 0.331 . . . . 62.23 111.294 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.602 ' HE3' ' SD ' ' A' ' 67' ' ' MET . 16.3 mmt -70.43 -28.3 64.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.469 0.308 . . . . 63.01 110.904 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.78 -51.66 46.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.229 -0.656 . . . . 73.31 109.229 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.687 ' HZ1' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.61 -48.49 77.36 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.281 1.033 . . . . 72.1 112.658 -176.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.37 -39.3 86.71 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.677 0.791 . . . . 73.33 110.941 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.48 -33.36 69.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.687 0.795 . . . . 73.1 111.801 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.69 -48.1 49.7 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.868 0.867 . . . . 73.21 110.159 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -94.53 77.12 3.82 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.568 -1.197 . . . . 74.53 109.55 -167.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -74.0 -3.34 28.65 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.701 -1.136 . . . . 71.14 111.106 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -47.31 132.09 13.05 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.291 1.036 . . . . 74.53 110.54 172.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.54 7.28 0.86 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.774 0.83 . . . . 74.22 112.542 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 13.1 pt-20 -58.3 131.13 49.72 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 109.093 -0.706 . . . . 74.11 109.093 164.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -87.31 128.46 35.18 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.709 -0.478 . . . . 74.13 109.709 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -108.85 132.39 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.901 -0.777 . . . . 74.41 108.901 -173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD12 HG13 ' A' ' 22' ' ' VAL . 8.3 tt -105.22 129.72 53.53 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.399 -1.334 . . . . 71.13 107.399 176.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.644 ' HB ' HD21 ' A' ' 6' ' ' LEU . 25.7 mm -117.11 127.29 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.623 -0.881 . . . . 74.12 108.623 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 HG23 HG12 ' A' ' 15' ' ' ILE . 66.0 mt -110.34 137.67 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.274 1.03 . . . . 74.34 108.283 173.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.5 t -136.89 122.31 19.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.995 -1.113 . . . . 74.21 107.995 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.515 HD22 HD13 ' A' ' 15' ' ' ILE . 1.9 m-20 -79.34 -9.78 59.67 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.12 0.568 . . . . 73.15 111.517 -178.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -113.91 130.21 56.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.855 -0.795 . . . . 72.3 108.855 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.21 -26.75 61.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.867 0.867 . . . . 72.05 112.669 -173.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -72.45 -41.89 65.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.908 -0.775 . . . . 74.31 108.908 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.93 -31.02 72.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.075 0.55 . . . . 75.02 110.462 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 80' ' ' LEU . 9.0 tt -65.19 -47.97 75.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.457 -0.338 . . . . 71.03 110.374 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.67 -50.35 74.21 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.174 0.59 . . . . 74.32 111.203 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.6 -47.27 76.77 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 123.955 0.784 . . . . 75.34 110.264 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.602 ' SD ' ' HE3' ' A' ' 42' ' ' MET . 44.6 tpp -52.06 -55.17 22.36 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.694 1.246 . . . . 74.11 110.512 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.23 -43.45 98.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.613 0.765 . . . . 72.45 112.328 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.79 -22.46 61.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.651 0.78 . . . . 73.22 111.005 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.31 -32.07 29.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.783 . . . . 74.0 111.541 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 67' ' ' MET . 91.2 mt -67.36 -27.99 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 109.371 -0.603 . . . . 73.53 109.371 173.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -60.83 -33.85 73.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.162 0.985 . . . . 74.14 110.981 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -73.84 -24.59 59.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.265 0.626 . . . . 74.4 111.036 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.06 -32.84 16.54 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.201 1.0 . . . . 75.4 111.572 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.48 1.64 Allowed Glycine 0 C--N 1.351 1.401 0 C-N-CA 123.231 0.443 . . . . 75.44 113.614 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -125.06 146.63 49.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.305 0.642 . . . . 74.2 110.357 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -79.93 108.72 13.73 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.934 -0.765 . . . . 73.33 108.934 173.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.6 137.54 24.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.123 -0.944 . . . . 72.32 110.534 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.41 ' HE1' HD12 ' A' ' 3' ' ' ILE . 77.4 m-85 -111.02 114.04 27.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.076 -1.453 . . . . 72.44 107.076 170.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 64' ' ' LEU . 38.5 tp -104.3 128.97 52.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.945 0.498 . . . . 74.24 110.867 -173.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' A' ' 7' ' ' ILE . 29.1 tp -115.99 112.62 22.08 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.469 1.107 . . . . 72.43 108.256 171.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -98.83 113.34 25.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.847 -0.797 . . . . 74.45 108.847 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.401 HE22 ' HG ' ' A' ' 14' ' ' LEU . 49.2 tt0 -102.57 116.9 33.53 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.504 -1.295 . . . . 74.24 107.504 171.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 23.4 t70 -157.0 127.53 6.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.526 -0.916 . . . . 72.22 108.526 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -78.45 -16.21 57.81 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.936 0.717 . . . . 74.55 112.936 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -97.11 91.33 5.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.533 -1.284 . . . . 65.1 107.533 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.8 mt-10 -65.3 -15.01 62.07 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.076 1.139 . . . . 75.41 114.076 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.66 -50.02 59.93 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.015 -0.735 . . . . 75.32 109.015 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.18 -45.45 76.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.509 -0.769 . . . . 65.42 109.594 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 41.4 tp -57.43 -43.04 83.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.584 -1.189 . . . . 74.52 111.859 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.94 -51.5 54.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.194 0.598 . . . . 74.25 110.584 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -45.77 88.08 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.358 1.036 . . . . 72.24 111.151 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.75 -37.38 86.21 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.881 -0.599 . . . . 74.5 110.744 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -63.08 -56.03 20.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.338 1.055 . . . . 75.22 110.522 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.89 -25.7 65.63 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.96 0.787 . . . . 73.15 112.545 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.87 -48.25 66.64 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.239 0.615 . . . . 74.24 110.506 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.42 -29.07 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.726 0.81 . . . . 72.55 110.991 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.61 -40.87 98.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.471 -1.307 . . . . 75.32 107.471 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -70.91 -24.22 62.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.277 -0.874 . . . . 71.13 111.856 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -77.01 -3.52 39.45 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.036 0.535 . . . . 75.41 111.409 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.39 47.07 3.11 Favored Glycine 0 C--N 1.351 1.377 0 C-N-CA 122.654 0.169 . . . . 65.24 113.12 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -132.34 144.07 50.3 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.546 0.739 . . . . 75.33 109.936 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.95 97.49 6.06 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.51 -0.922 . . . . 74.2 108.51 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.71 139.15 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.241 0.616 . . . . 71.55 110.709 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.491 ' HG2' HG21 ' A' ' 116' ' ' ILE . 13.7 tpt180 -124.06 150.12 45.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.611 1.164 . . . . 75.33 108.693 175.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.568 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 56.4 mtpt -98.03 159.58 14.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.644 0.778 . . . . 75.15 109.62 172.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -165.14 148.4 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.989 0.916 . . . . 73.35 109.33 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -118.17 -36.73 3.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.961 0.904 . . . . 75.51 110.499 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.4 139.04 40.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.281 0.632 . . . . 72.3 109.7 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 14' ' ' LEU . 4.0 p-10 -75.97 -33.37 59.77 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.505 0.503 . . . . 71.14 110.22 176.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.39 -42.55 96.07 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.895 0.747 . . . . 73.45 109.805 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 116' ' ' ILE . 31.1 tt0 -80.2 -31.22 38.71 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.944 -1.026 . . . . 75.51 110.02 -175.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -51.33 -47.67 62.63 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 123.566 0.746 . . . . 73.21 110.458 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.492 HD13 ' HE2' ' A' ' 17' ' ' LYS . 56.4 mt -61.7 -39.63 92.14 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.627 1.204 . . . . 73.23 110.611 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.9 mmpt? -71.77 -25.65 62.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.594 0.758 . . . . 73.43 111.587 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.491 HG21 ' HG2' ' A' ' 105' ' ' ARG . 26.9 mm -81.02 -30.22 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 N-CA-C 109.952 -0.388 . . . . 75.22 109.952 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 113' ' ' ALA . 39.6 t -61.88 -42.61 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.915 -0.402 . . . . 71.01 109.915 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 9.9 ptm180 -67.41 -25.44 65.94 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.389 0.431 . . . . 73.22 110.977 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.676 ' HB3' ' HZ1' ' A' ' 123' ' ' LYS . 39.5 mt-10 -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 123.345 0.403 . . . . 64.12 109.975 173.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.419 ' HB3' HD11 ' A' ' 5' ' ' ILE . 33.7 m-85 -59.57 -41.49 90.32 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.384 0.674 . . . . 73.13 112.114 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.432 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.8 mtm -67.48 -28.98 68.31 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.447 0.467 . . . . 72.14 111.409 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -78.14 -43.01 30.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.489 0.716 . . . . 71.14 111.477 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.676 ' HZ1' ' HB3' ' A' ' 119' ' ' GLU . 62.1 mttp -71.86 -42.68 66.59 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.242 1.017 . . . . 75.12 111.008 -174.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.79 64.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.813 0.845 . . . . 74.32 111.081 171.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.52 -29.82 67.33 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.46 1.1 . . . . 74.33 113.241 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -71.41 -36.95 71.51 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.125 0.57 . . . . 71.35 110.328 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.73 -35.24 65.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.401 0.68 . . . . 75.2 110.697 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.03 -27.85 67.74 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.234 -0.894 . . . . 63.3 110.442 174.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 59.2 42.01 19.32 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.61 -1.255 . . . . 72.45 107.61 -165.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.29 81.71 0.36 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.32 -1.763 . . . . 74.32 108.974 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -78.7 82.95 4.89 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.936 0.874 . . . . 74.12 110.331 -175.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -150.41 97.83 2.58 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 105.49 -2.041 . . . . 71.33 105.49 174.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -55.31 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 124.59 1.181 . . . . 52.13 111.891 -172.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.256 1.433 0 C-N-CA 125.19 1.396 . . . . 72.42 108.026 -174.55 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 ttm . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.028 -0.36 . . . . 71.03 110.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 49' ' ' LYS . 2.8 ptmm? -165.61 121.91 1.38 Allowed 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.33 0.652 . . . . 71.21 109.4 175.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -99.73 136.02 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 109.005 -0.739 . . . . 73.33 109.005 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.6 mt -107.54 117.73 34.86 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.269 0.628 . . . . 60.14 109.885 -170.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 120' ' ' PHE . 27.5 mm -94.81 104.0 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.708 -1.219 . . . . 62.14 107.708 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.621 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -90.87 129.48 36.91 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.832 -1.544 . . . . 74.1 106.832 -178.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.56 132.57 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.157 0.583 . . . . 74.14 110.085 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 58' ' ' SER . 5.4 t30 -120.69 113.59 20.44 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.803 -1.184 . . . . 65.13 107.803 171.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.495 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 4.5 t -125.63 145.58 50.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.023 0.529 . . . . 73.3 110.377 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -73.53 -26.03 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.465 0.706 . . . . 74.41 110.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -109.81 131.01 55.45 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.088 -0.96 . . . . 72.14 112.121 -166.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.7 -21.8 66.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.006 -0.997 . . . . 73.02 110.718 170.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.42 -42.51 92.44 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.194 0.598 . . . . 75.34 110.062 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.49 -28.37 60.97 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 119.396 -0.335 . . . . 74.04 111.321 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.0 mt -58.56 -59.97 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.328 -0.619 . . . . 71.51 109.328 171.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -63.59 -37.56 87.79 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 123.611 0.569 . . . . 75.54 111.971 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HE2' HD13 ' A' ' 114' ' ' LEU . 56.0 mtpt -70.68 -50.44 36.52 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 122.53 0.332 . . . . 74.14 111.875 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.12 -35.4 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 122.926 0.491 . . . . 63.23 110.69 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HG2' HG21 ' A' ' 29' ' ' VAL . 60.8 mtpt -61.87 -37.31 84.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.717 0.407 . . . . 74.21 111.725 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.49 -49.46 59.52 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.431 0.457 . . . . 75.11 110.364 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 23.9 mm-40 -45.66 -54.24 8.07 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.562 1.164 . . . . 72.01 110.971 176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.61 HG13 ' SD ' ' A' ' 121' ' ' MET . 10.2 m -84.13 -20.51 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 115.415 -0.811 . . . . 74.11 112.553 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -68.33 -39.28 81.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.9 0.381 . . . . 74.43 109.997 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.75 -21.63 65.26 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.528 -0.76 . . . . 74.04 110.704 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.3 mm-40 -96.53 -7.29 34.96 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.738 0.815 . . . . 73.41 111.452 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.48 73.75 0.87 Allowed Glycine 0 C--N 1.35 1.315 0 C-N-CA 122.875 0.274 . . . . 65.13 113.551 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -140.93 116.49 10.19 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.636 1.174 . . . . 74.3 108.604 174.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HB2' HD11 ' A' ' 54' ' ' ILE . 93.9 mt-30 -72.17 109.2 5.78 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.694 0.397 . . . . 74.33 110.434 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' HG2' ' A' ' 19' ' ' LYS . 57.3 t -78.59 137.38 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.835 0.454 . . . . 75.03 110.067 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HB2' HD12 ' A' ' 56' ' ' ILE . 24.6 mmt85 -122.31 111.48 16.95 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.356 -1.35 . . . . 74.23 107.356 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.83 117.35 29.69 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.209 -0.663 . . . . 70.45 109.209 -174.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -120.48 116.72 51.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 124.85 1.26 . . . . 71.34 108.519 -174.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -118.5 -4.66 10.81 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.983 0.913 . . . . 74.44 110.549 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -139.66 145.04 37.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.631 0.772 . . . . 65.13 110.775 -170.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.3 p -57.5 -42.48 82.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.906 1.282 . . . . 73.52 112.805 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.9 -28.0 63.21 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.939 0.495 . . . . 73.34 111.204 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 10.9 mm-40 -80.0 -26.8 39.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.288 0.635 . . . . 74.35 111.352 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.66 -44.64 93.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.719 . . . . 72.32 109.47 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.87 -28.64 64.34 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.933 -1.03 . . . . 74.32 111.422 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 40.9 mmtm -71.06 -60.6 2.14 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.208 0.603 . . . . 64.45 110.26 174.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -67.6 -28.54 67.84 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.701 1.001 . . . . 75.51 113.701 -164.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -36.0 82.35 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.782 0.433 . . . . 74.44 111.23 174.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.25 -38.4 75.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.877 0.471 . . . . 74.31 109.822 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -64.75 -36.47 84.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.133 0.573 . . . . 74.24 111.948 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -59.97 -29.85 68.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.102 0.561 . . . . 74.04 111.88 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.77 -36.0 22.02 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.414 0.686 . . . . 72.5 111.432 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.7 -50.36 21.23 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.538 0.685 . . . . 73.14 111.126 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.21 30.78 0.93 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.413 1.085 . . . . 64.31 110.614 -172.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 41.2 ttmt -67.02 94.33 0.33 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.901 0.88 . . . . 73.11 110.705 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -142.95 176.44 9.08 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.84 -1.17 . . . . 72.35 107.84 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -56.13 -16.53 5.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.354 1.061 . . . . 74.41 112.666 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.83 110.71 1.07 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.476 1.51 . . . . 75.11 111.93 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 146.11 31.0 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.365 -0.605 . . . . 64.21 109.365 175.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.439 HD11 ' HB2' ' A' ' 28' ' ' GLN . 37.4 mm -119.01 140.8 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.261 0.624 . . . . 75.43 110.275 -175.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 9.9 tt -109.24 128.4 55.03 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.375 -1.343 . . . . 74.35 107.375 167.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.621 ' HB ' HD22 ' A' ' 6' ' ' LEU . 11.1 mm -109.25 126.96 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.243 -1.021 . . . . 73.11 108.243 176.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.1 mt -102.41 121.15 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.708 -0.849 . . . . 75.55 108.708 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 46.3 t -113.64 130.45 56.39 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.665 -1.605 . . . . 71.45 106.665 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.34 6.75 47.73 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.234 0.47 . . . . 55.15 111.353 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.28 146.99 43.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.399 0.518 . . . . 71.3 112.399 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -68.8 -41.25 78.96 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.797 1.239 . . . . 74.14 111.81 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -67.08 -46.4 74.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.883 0.873 . . . . 53.53 109.252 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.77 -49.09 76.31 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.783 -1.099 . . . . 71.23 110.471 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.647 HD11 HD13 ' A' ' 80' ' ' LEU . 8.7 tt -55.57 -41.91 73.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.988 0.915 . . . . 74.35 111.813 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.34 -53.4 49.32 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.511 0.507 . . . . 75.45 110.895 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -47.74 69.36 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.169 0.918 . . . . 72.14 110.385 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.541 ' SD ' HD23 ' A' ' 6' ' ' LEU . 47.4 ttm -53.04 -51.98 59.98 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.212 1.805 . . . . 73.43 112.075 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.408 HD13 HD22 ' A' ' 80' ' ' LEU . 85.1 mt -64.79 -38.68 91.81 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.713 0.633 . . . . 72.51 111.962 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -70.38 -28.21 64.92 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.888 0.475 . . . . 72.43 111.14 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.65 -40.12 56.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.097 0.959 . . . . 72.13 110.673 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.79 -27.18 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.838 0.855 . . . . 74.3 110.666 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -64.13 -32.97 74.73 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.638 0.775 . . . . 63.3 110.1 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -73.62 -37.66 65.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.406 -0.816 . . . . 73.23 110.199 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.98 -29.07 68.01 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.508 0.723 . . . . 75.0 110.854 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.04 70.59 1.11 Allowed Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.977 -0.556 . . . . 52.31 113.753 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.16 158.23 36.09 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.48 0.712 . . . . 75.44 110.463 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.88 118.09 18.29 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.866 -0.79 . . . . 75.04 108.866 168.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 50.6 t -115.79 122.72 70.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.494 -0.776 . . . . 73.12 109.684 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -101.23 114.43 28.39 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.658 -1.608 . . . . 71.4 106.658 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.647 HD13 HD11 ' A' ' 64' ' ' LEU . 48.4 tp -101.52 132.91 46.9 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.07 0.548 . . . . 74.2 110.508 -175.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 116' ' ' ILE . 46.8 tp -118.09 113.84 22.2 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.156 0.982 . . . . 71.54 108.633 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.34 113.35 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.662 0.785 . . . . 75.43 109.625 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.495 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 53.4 tt0 -103.67 118.25 36.27 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.808 -0.812 . . . . 73.42 108.808 172.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -156.05 138.03 14.49 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.108 -0.701 . . . . 75.44 109.108 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -79.09 -22.7 44.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.258 0.623 . . . . 73.44 112.012 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -92.79 90.85 7.2 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.938 -1.134 . . . . 71.14 107.938 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.7 mt-10 -73.79 -16.79 61.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.876 1.065 . . . . 72.51 113.876 -165.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.04 -41.85 63.75 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.945 -0.761 . . . . 73.44 108.945 174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.08 -36.5 64.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.207 -0.906 . . . . 74.31 109.994 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.535 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 34.3 tp -62.18 -44.36 96.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.436 1.094 . . . . 75.01 110.794 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.6 -45.98 77.4 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.418 0.687 . . . . 64.34 110.761 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -56.03 -52.57 63.77 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 123.762 0.664 . . . . 72.31 111.849 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.24 -38.95 91.2 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.597 0.759 . . . . 72.23 110.766 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.74 -52.57 62.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.193 0.997 . . . . 75.15 111.008 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -69.12 -25.92 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.653 0.612 . . . . 72.41 112.653 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -46.25 90.95 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.025 0.441 . . . . 74.02 110.017 171.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -81.32 -29.28 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.29 1.036 . . . . 75.44 111.598 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.01 -41.57 99.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.789 0.835 . . . . 54.14 109.554 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -70.3 -27.64 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.874 -1.057 . . . . 73.0 111.014 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.51 -17.85 64.82 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.112 0.565 . . . . 74.41 111.521 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.3 42.45 1.75 Allowed Glycine 0 C--N 1.349 1.286 0 C-N-CA 122.878 0.275 . . . . 64.32 112.505 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -119.29 138.26 53.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.444 0.698 . . . . 72.22 109.881 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -82.18 92.94 6.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.307 -0.998 . . . . 75.25 108.307 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.01 123.76 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.994 0.518 . . . . 64.45 110.939 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -106.37 152.63 23.33 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.765 0.826 . . . . 63.35 109.294 167.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' HB3' HD22 ' A' ' 90' ' ' LEU . 38.3 mtmt -102.67 167.76 9.69 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.615 1.166 . . . . 75.25 109.361 174.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.68 153.35 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.651 0.781 . . . . 72.33 110.574 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.2 p -123.86 -29.5 3.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.232 1.013 . . . . 70.33 110.635 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.96 145.33 26.07 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.503 0.721 . . . . 74.12 111.76 -171.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -61.66 -51.9 66.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.101 1.36 . . . . 74.42 112.468 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.23 -37.89 72.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.979 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.69 -33.4 75.8 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.379 0.425 . . . . 74.2 110.788 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.88 -47.14 83.61 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.459 0.474 . . . . 72.14 110.996 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.409 HD13 ' HE2' ' A' ' 17' ' ' LYS . 52.0 mt -59.17 -39.58 82.94 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 124.054 0.846 . . . . 72.4 110.701 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 64.3 mttm -66.38 -44.97 81.65 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 114.745 -1.116 . . . . 74.54 110.696 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 81' ' ' LEU . 42.7 mm -66.98 -33.6 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 121.995 0.118 . . . . 74.12 110.908 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 113' ' ' ALA . 90.2 t -66.92 -44.35 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.807 0.443 . . . . 75.23 110.626 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -69.55 -25.95 64.26 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.441 -0.207 . . . . 74.33 110.441 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.571 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 32.0 mm-40 -65.58 -53.78 37.07 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.699 -0.482 . . . . 74.43 109.699 169.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.494 ' HB3' HD13 ' A' ' 5' ' ' ILE . 10.3 m-30 -56.03 -40.03 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.37 1.068 . . . . 75.51 113.128 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.61 ' SD ' HG13 ' A' ' 22' ' ' VAL . 78.1 mtm -70.48 -33.25 71.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.108 0.563 . . . . 64.3 112.006 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.55 -39.01 65.04 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.393 0.677 . . . . 74.53 110.704 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 62.6 mttm -68.34 -41.43 80.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.637 0.775 . . . . 75.34 109.77 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.21 -45.14 84.07 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.03 -0.986 . . . . 74.41 110.257 171.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.42 -30.67 78.5 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.021 -0.991 . . . . 61.34 113.13 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 m -71.54 -38.79 70.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.25 0.62 . . . . 73.31 110.153 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 131' ' ' HIS . 86.1 mt -65.5 -42.45 92.09 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.025 -0.731 . . . . 74.54 109.025 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.58 -28.11 69.41 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.952 -1.022 . . . . 74.05 111.652 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -76.81 28.01 0.13 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.772 0.829 . . . . 73.33 112.09 173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 73.38 41.93 0.44 Allowed 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.372 1.469 . . . . 75.21 111.393 167.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 127' ' ' LEU . 31.8 t60 -72.69 110.18 6.85 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.381 -1.34 . . . . 63.3 107.381 163.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -63.58 133.26 53.44 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.498 0.499 . . . . 75.21 110.651 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -83.96 89.11 7.18 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.458 -0.571 . . . . 71.14 109.458 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.256 1.422 0 N-CA-C 108.35 -0.982 . . . . 75.4 108.35 177.317 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.016 -0.735 . . . . 75.41 109.016 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -153.78 145.5 23.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.954 0.502 . . . . 74.42 110.743 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.2 mt -93.53 128.68 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.417 -0.957 . . . . 71.45 108.417 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' ' 78' ' ' VAL . 43.3 mt -111.41 135.24 52.25 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.855 -0.795 . . . . 75.4 108.855 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.54 103.36 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 107.319 -1.363 . . . . 64.01 107.319 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.594 HD22 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -88.49 115.15 25.8 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.005 -1.48 . . . . 63.43 107.005 -178.72 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.473 HD11 HD22 ' A' ' 55' ' ' LEU . 68.7 mt -116.89 132.31 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.924 -0.769 . . . . 55.21 108.924 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.474 ' HB2' HD13 ' A' ' 64' ' ' LEU . 2.0 t-20 -127.4 114.03 17.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.102 -1.073 . . . . 71.14 108.102 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -125.41 141.1 52.25 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.139 -1.06 . . . . 71.42 108.139 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -84.74 -15.62 44.47 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.753 0.787 . . . . 64.54 109.17 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.9 115.82 25.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 114.51 -1.223 . . . . 60.24 109.737 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.67 -40.72 93.13 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.65 0.78 . . . . 72.23 111.494 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.91 -29.91 70.41 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.912 -0.585 . . . . 74.24 110.978 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 110' ' ' ASP . 4.4 mm? -72.6 -26.11 61.57 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.202 -0.427 . . . . 74.43 111.802 175.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.501 HG21 HG23 ' A' ' 57' ' ' ILE . 59.3 mt -63.16 -56.71 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 N-CA-C 109.206 -0.665 . . . . 74.5 109.206 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 22.8 ptmt -62.36 -30.58 71.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.267 0.469 . . . . 72.21 112.267 -175.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 27.4 mtpp -68.06 -58.92 3.71 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.073 0.549 . . . . 75.44 111.126 173.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.1 -35.07 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.772 0.829 . . . . 74.0 111.565 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.0 mtmt -56.93 -43.46 81.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.84 0.456 . . . . 73.33 110.714 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.16 -51.55 37.11 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 122.689 0.396 . . . . 73.31 110.586 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 15.0 mm-40 -48.66 -54.9 12.92 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 124.56 1.162 . . . . 75.43 112.186 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 m -84.43 -25.95 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.193 -0.912 . . . . 74.44 112.229 -166.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.03 -36.35 84.11 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.554 -0.906 . . . . 73.14 108.554 174.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.3 -27.71 64.61 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.228 -0.896 . . . . 65.02 111.289 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 27.3 mm-40 -85.4 -0.15 53.95 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.02 0.528 . . . . 75.03 112.033 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.69 2.31 72.71 Favored Glycine 0 C--N 1.354 1.579 0 N-CA-C 114.701 0.64 . . . . 74.11 114.701 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -91.71 126.48 36.81 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.586 0.693 . . . . 74.52 109.685 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -76.11 112.26 12.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.486 0.714 . . . . 72.24 111.185 -170.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.25 119.62 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.091 0.87 . . . . 71.53 111.22 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -120.17 146.04 46.38 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.501 1.12 . . . . 73.55 108.468 170.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.19 118.77 22.94 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.474 -0.935 . . . . 74.12 108.474 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.92 115.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.714 -0.847 . . . . 74.31 108.714 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -127.19 13.0 7.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.692 0.797 . . . . 63.32 111.014 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.75 144.69 27.22 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.501 0.72 . . . . 73.4 110.837 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -41.79 98.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.286 1.034 . . . . 62.24 113.093 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -33.23 74.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.421 0.288 . . . . 74.15 111.259 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -63.56 -45.51 90.17 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.32 -0.622 . . . . 71.43 109.32 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.9 -59.88 4.4 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.316 1.046 . . . . 75.31 110.947 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 52.4 mtmt -56.25 -39.04 71.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.131 0.972 . . . . 75.3 111.819 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -63.37 -51.79 64.41 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.703 0.627 . . . . 74.03 111.382 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.2 pt-20 -79.69 -17.94 52.45 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 119.459 -0.305 . . . . 73.03 111.692 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.402 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 31.9 mmt -67.48 -42.82 82.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.925 0.49 . . . . 73.05 109.935 170.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.7 mmtp -61.54 -43.94 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.435 -0.802 . . . . 72.54 110.103 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -59.62 -40.09 86.41 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.282 0.989 . . . . 72.34 112.229 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 90.9 mt -50.7 -44.0 57.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.609 0.568 . . . . 75.3 111.029 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' HD22 ' A' ' 74' ' ' LEU . . . -79.47 -20.43 47.37 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.905 -1.043 . . . . 73.13 112.625 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 43.7 mt-10 -87.39 -54.42 4.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 72.12 110.712 -177.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.42 90.7 4.62 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.841 1.305 . . . . 73.3 107.504 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -82.34 28.39 0.46 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.799 -1.546 . . . . 75.15 112.209 -172.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -66.14 163.46 17.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.769 0.795 . . . . 74.21 111.247 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.27 30.31 1.49 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.999 0.919 . . . . 72.45 110.451 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -89.43 124.39 34.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.588 0.755 . . . . 70.14 110.589 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 9.2 mptt -82.43 115.67 21.55 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.309 0.643 . . . . 75.12 109.884 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.88 113.97 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.396 -0.82 . . . . 72.4 109.084 -172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 7' ' ' ILE . 7.7 tt -91.49 123.5 34.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.727 -0.842 . . . . 75.31 108.727 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.601 HG21 ' SD ' ' A' ' 67' ' ' MET . 30.2 mm -100.73 140.46 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 108.633 -0.877 . . . . 75.3 108.633 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.501 HG23 HG21 ' A' ' 15' ' ' ILE . 67.8 mt -120.56 122.34 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.64 -1.244 . . . . 74.13 107.64 167.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -131.83 137.94 48.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.885 -1.154 . . . . 72.53 107.885 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.19 -26.11 21.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.966 0.906 . . . . 71.14 109.365 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -95.15 133.89 38.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.322 -0.854 . . . . 63.34 110.457 -168.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.18 -37.77 66.41 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.363 -0.835 . . . . 75.23 111.497 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.3 -45.78 83.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.711 0.804 . . . . 72.1 110.467 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.3 -46.66 89.39 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.824 0.702 . . . . 75.12 110.499 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 80' ' ' LEU . 8.5 tt -52.39 -47.18 66.37 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.798 0.686 . . . . 75.1 111.389 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -59.66 -53.74 54.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.818 0.847 . . . . 75.23 111.771 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.36 -42.07 94.98 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.855 0.722 . . . . 72.44 110.915 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.601 ' SD ' HG21 ' A' ' 56' ' ' ILE . 40.0 ttm -56.97 -55.52 33.59 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 124.732 1.27 . . . . 72.21 111.103 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.26 -37.38 87.27 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.928 0.768 . . . . 74.32 112.379 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 51.1 mt-10 -70.91 -34.4 71.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.063 0.145 . . . . 73.1 110.983 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.99 -41.78 81.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.119 0.568 . . . . 70.25 110.745 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 78' ' ' VAL . 97.7 mt -66.67 -30.14 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 123.723 0.809 . . . . 75.25 110.365 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 t -65.84 -37.84 87.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.485 0.714 . . . . 74.4 110.542 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 25.7 mmmt -77.6 -12.76 60.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.83 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD22 ' HB3' ' A' ' 46' ' ' ALA . 90.1 mt -92.42 -36.02 13.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.831 0.852 . . . . 64.52 110.697 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.53 82.01 0.84 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.803 -0.635 . . . . 74.33 113.601 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.463 ' HD2' HG21 ' A' ' 71' ' ' ILE . 58.8 m-85 -133.4 153.12 51.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.609 0.763 . . . . 73.12 110.365 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.02 104.87 10.88 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.072 -0.714 . . . . 75.41 109.072 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 4' ' ' LEU . 22.1 t -114.11 131.09 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 122.706 0.402 . . . . 72.21 110.759 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -101.47 115.73 31.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.21 -1.034 . . . . 74.2 108.21 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 64' ' ' LEU . 46.4 tp -98.67 134.46 41.56 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.084 0.469 . . . . 63.21 110.896 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 27.9 tp -122.11 125.86 47.12 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.883 0.873 . . . . 73.32 108.65 171.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.11 116.34 31.36 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.55 -0.908 . . . . 74.32 108.55 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.71 104.17 15.45 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 73.54 108.012 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 9.7 m-20 -137.0 117.87 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.621 -1.622 . . . . 63.05 106.621 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -70.27 -19.33 63.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.188 0.595 . . . . 73.42 110.454 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -94.55 113.73 25.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.339 -0.985 . . . . 72.12 108.339 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 33.5 mt-10 -75.93 -7.32 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.217 0.451 . . . . 73.34 112.217 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -68.88 -48.98 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.975 -0.75 . . . . 55.32 108.975 168.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.92 -37.14 62.13 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.653 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 16.1 tp -63.69 -54.36 36.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.708 1.203 . . . . 74.23 110.788 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.78 -50.52 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.668 0.605 . . . . 75.31 112.337 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 22.5 mm-40 -53.94 -52.79 59.5 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.627 0.579 . . . . 72.55 111.815 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.435 ' HA ' ' HD2' ' A' ' 96' ' ' LYS . 30.9 t80 -71.38 -29.01 64.44 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.266 0.626 . . . . 75.42 111.121 -175.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -64.45 -58.86 5.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.398 0.679 . . . . 73.41 110.854 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -64.34 -23.35 67.26 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.93 -1.032 . . . . 74.55 112.943 -170.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.5 mttm -59.46 -54.39 47.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.748 0.785 . . . . 72.25 110.702 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mt -86.12 -16.68 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.414 1.086 . . . . 73.22 110.972 -171.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.88 -38.19 75.34 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.453 1.101 . . . . 73.42 110.134 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -72.44 -26.05 61.69 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.028 -0.987 . . . . 54.43 111.27 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -76.08 8.11 3.53 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.052 0.76 . . . . 72.21 113.052 -176.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.68 -6.84 82.82 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 113.883 0.313 . . . . 75.44 113.883 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.47 134.5 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.512 0.725 . . . . 74.42 109.895 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.74 95.31 1.11 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.078 -0.712 . . . . 74.41 109.078 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.27 110.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 108.948 -0.76 . . . . 70.12 108.948 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -108.36 154.26 22.1 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.048 0.452 . . . . 73.52 110.373 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -95.12 157.29 15.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.48 1.112 . . . . 75.43 110.939 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.3 p -168.16 139.65 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 124.338 1.024 . . . . 75.33 109.605 161.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 p -107.98 -33.01 7.33 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.729 0.811 . . . . 72.05 110.218 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.61 146.21 28.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.56 0.744 . . . . 75.12 111.998 -174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB3' HD22 ' A' ' 14' ' ' LEU . 19.0 m-20 -72.02 -51.56 21.2 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.476 -1.238 . . . . 74.14 111.137 -176.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.2 -34.86 75.54 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.02 -0.991 . . . . 75.22 110.494 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' O ' HG12 ' A' ' 116' ' ' ILE . 34.9 tt0 -73.46 -31.63 63.89 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.973 -0.537 . . . . 71.23 110.866 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.511 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -50.18 -43.15 52.26 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.297 0.373 . . . . 63.11 111.125 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.72 -42.34 98.82 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.267 1.027 . . . . 73.41 111.025 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.2 -31.41 71.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.252 1.021 . . . . 74.51 111.228 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 112' ' ' GLU . 23.1 mm -78.12 -36.81 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.755 -0.461 . . . . 73.2 109.755 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 113' ' ' ALA . 82.0 t -57.68 -41.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 122.995 0.518 . . . . 72.4 109.738 172.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -58.18 -39.7 79.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.196 -0.911 . . . . 72.12 111.49 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 76.9 mm-40 -62.59 -47.01 85.67 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.557 0.535 . . . . 74.24 110.703 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.455 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.3 m-85 -61.37 -42.66 99.07 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.33 0.652 . . . . 73.12 112.697 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.422 ' HE3' HG12 ' A' ' 117' ' ' VAL . 72.3 mtm -70.02 -27.83 64.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.383 0.673 . . . . 74.33 111.254 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -74.88 -36.57 62.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 64.33 110.962 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 93.9 mttt -71.99 -41.04 68.1 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.339 0.656 . . . . 74.43 109.566 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.76 88.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.64 0.776 . . . . 75.34 109.924 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.5 -27.24 73.91 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 124.172 0.92 . . . . 74.21 112.695 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.4 m -74.83 -38.59 61.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.117 0.567 . . . . 62.34 109.694 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.74 -11.46 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.608 0.763 . . . . 71.53 110.26 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.35 -41.98 19.3 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.277 0.631 . . . . 74.23 110.891 170.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -89.37 58.16 4.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.023 -0.535 . . . . 70.35 110.877 -171.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -60.81 -44.34 97.0 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.681 0.753 . . . . 74.24 109.595 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 134' ' ' HIS . 57.6 m80 -91.57 57.08 3.19 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.558 -1.201 . . . . 73.45 109.642 176.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -62.57 116.53 5.22 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.773 -1.103 . . . . 75.34 108.632 168.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 67.51 86.87 0.13 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.441 1.096 . . . . 71.54 109.392 -163.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 131' ' ' HIS . 27.6 p80 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 123.851 0.86 . . . . 74.04 109.766 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' H1 ' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.315 -0.624 . . . . 73.25 109.315 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -113.8 117.13 30.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.189 0.595 . . . . 74.41 109.447 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.4 mt -103.51 121.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.949 -1.13 . . . . 74.13 107.949 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.8 mt -106.41 107.54 18.6 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.209 -0.663 . . . . 75.45 109.209 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 120' ' ' PHE . 29.4 mm -83.93 103.28 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.424 -1.325 . . . . 75.33 107.424 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.584 HD21 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.01 134.2 35.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.663 -1.606 . . . . 75.13 106.663 -176.398 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.454 HD12 HD23 ' A' ' 55' ' ' LEU . 68.4 mt -135.7 125.42 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 109.566 -0.531 . . . . 73.51 109.566 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.3 t-20 -108.04 111.84 24.1 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.407 -0.96 . . . . 72.32 108.407 169.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 t -127.51 138.11 52.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.985 -1.117 . . . . 75.44 107.985 166.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -88.07 -9.69 52.51 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.122 0.487 . . . . 71.34 109.739 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.6 112.37 22.23 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.169 0.988 . . . . 74.34 109.576 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.1 m-20 -56.69 -34.6 67.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.284 1.034 . . . . 74.14 111.577 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.61 -47.89 81.8 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.803 -0.635 . . . . 64.53 110.305 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.46 -29.34 69.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.236 -0.411 . . . . 74.33 111.353 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG22 HG21 ' A' ' 57' ' ' ILE . 73.1 mt -60.78 -59.6 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.978 -0.379 . . . . 62.5 109.978 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -64.1 -34.84 78.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.414 0.686 . . . . 74.34 112.158 -175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 29.5 mtpp -69.13 -51.55 37.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.474 0.71 . . . . 73.11 110.837 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.93 -39.17 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 O-C-N 123.969 0.793 . . . . 74.11 110.522 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG13 ' A' ' 29' ' ' VAL . 92.9 mttt -51.26 -44.63 61.81 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.608 0.567 . . . . 74.43 111.331 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.4 mmmm -81.49 -46.3 14.73 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.798 -0.637 . . . . 74.11 111.742 -173.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 17.0 mm-40 -52.14 -49.95 62.72 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.599 0.76 . . . . 75.34 112.151 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 HG21 HD12 ' A' ' 55' ' ' LEU . 5.5 m -82.47 -21.09 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.964 0.727 . . . . 73.14 112.964 -167.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -75.09 -16.27 60.57 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 122.852 0.095 . . . . 72.32 111.105 178.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -32.4 73.82 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.569 0.543 . . . . 64.21 110.484 169.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -91.64 3.92 53.92 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.802 0.841 . . . . 75.34 111.877 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.36 39.52 56.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.173 0.429 . . . . 75.23 114.173 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.55 113.63 26.8 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.745 0.818 . . . . 73.11 109.076 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.6 109.5 4.34 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 124.05 0.844 . . . . 71.21 109.372 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 19' ' ' LYS . 5.2 t -82.82 121.23 35.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.491 -0.777 . . . . 73.43 109.712 -174.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HB2' HD12 ' A' ' 56' ' ' ILE . 2.6 mmp_? -126.85 114.52 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.641 1.176 . . . . 74.05 107.901 176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -105.47 138.13 42.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.399 -0.593 . . . . 74.53 109.399 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.572 HG13 HD13 ' A' ' 63' ' ' LEU . 87.8 t -119.93 116.42 50.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.901 -1.148 . . . . 73.13 107.901 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -101.66 -19.94 15.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.81 0.844 . . . . 74.32 110.0 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -147.67 154.74 40.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.905 0.482 . . . . 75.3 111.036 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 28.3 m -54.47 -33.58 59.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.115 1.366 . . . . 71.14 113.186 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 17.5 t70 -57.35 -47.36 81.81 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.425 0.69 . . . . 71.5 110.239 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.39 -41.82 88.78 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 114.485 -1.234 . . . . 71.43 110.615 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.05 -47.24 68.58 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.068 0.855 . . . . 72.43 111.204 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' SER . 29.1 mtpp -62.81 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.959 0.787 . . . . 72.02 110.513 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 46.2 mmtm -61.5 -47.68 84.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.63 0.772 . . . . 75.41 110.84 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -64.63 -41.07 96.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.099 0.96 . . . . 75.12 111.208 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.503 ' HE3' ' SD ' ' A' ' 67' ' ' MET . 9.3 mmt -65.9 -32.82 74.55 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.433 0.693 . . . . 72.55 112.589 -176.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mmtp -66.13 -38.75 88.92 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 123.515 0.509 . . . . 75.21 110.372 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -33.32 74.36 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.718 0.807 . . . . 74.42 110.857 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.01 -35.23 50.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.731 0.812 . . . . 74.34 110.52 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.26 -27.01 61.33 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.076 0.95 . . . . 74.14 111.51 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.85 -8.11 56.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.178 0.991 . . . . 71.13 111.092 173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 58.27 36.72 25.86 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.679 1.192 . . . . 73.52 111.749 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -65.46 96.51 0.25 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.6 -0.727 . . . . 74.24 110.757 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 67.3 119.39 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.123 1.369 . . . . 74.25 112.211 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.4 ' HB2' ' H1 ' ' A' ' 1' ' ' MET . 15.0 p90 -71.1 102.2 2.42 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 121.712 0.768 . . . . 74.11 109.717 178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -137.9 160.67 38.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.679 0.792 . . . . 65.43 111.17 -168.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 96.5 10.32 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.484 -1.302 . . . . 74.13 107.484 170.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 36.7 mm -96.7 132.48 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.79 -0.818 . . . . 73.2 108.79 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 22' ' ' VAL . 8.1 tt -105.17 117.29 33.62 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.216 -1.031 . . . . 75.23 108.216 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.584 ' HB ' HD21 ' A' ' 6' ' ' LEU . 30.2 mm -102.34 112.54 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.989 -0.745 . . . . 75.24 108.989 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG22 ' A' ' 15' ' ' ILE . 62.8 mt -89.24 133.47 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 107.948 -1.13 . . . . 73.1 107.948 170.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -133.79 118.62 18.24 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 107.921 -1.141 . . . . 54.0 107.921 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -83.17 -22.16 33.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.953 0.501 . . . . 64.53 111.924 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HB3' HD11 ' A' ' 63' ' ' LEU . 21.8 t70 -105.59 141.07 37.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.862 0.865 . . . . 73.43 109.264 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -78.06 -31.22 50.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.564 0.746 . . . . 75.44 111.894 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -69.46 -36.74 76.87 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.959 -0.756 . . . . 74.23 108.959 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.572 HD13 HG13 ' A' ' 32' ' ' VAL . 79.2 mt -58.89 -41.45 87.22 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 123.557 0.743 . . . . 75.25 110.968 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 HD21 ' CZ ' ' A' ' 93' ' ' PHE . 8.0 tt -61.08 -47.58 85.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.693 0.621 . . . . 74.12 110.596 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.59 -52.02 66.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.592 0.557 . . . . 75.14 110.975 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.53 -46.71 70.25 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.286 0.991 . . . . 74.13 110.458 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.525 ' HG2' HD22 ' A' ' 6' ' ' LEU . 33.9 tpp -55.2 -56.36 20.81 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.525 1.141 . . . . 73.23 110.549 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 71' ' ' ILE . 74.6 mt -64.15 -35.26 80.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.757 0.823 . . . . 74.03 112.473 -173.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 43.3 mt-10 -67.08 -40.4 86.98 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.621 0.575 . . . . 64.31 110.563 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD13 ' HG3' ' A' ' 42' ' ' MET . 82.8 mt -68.61 -32.34 72.14 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.418 0.687 . . . . 71.52 111.093 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 68' ' ' LEU . 77.2 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.106 0.563 . . . . 63.34 110.013 175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -62.0 -33.83 75.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.855 0.462 . . . . 71.42 110.235 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 75.1 mmtt -68.08 -40.42 82.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.553 . . . . 73.32 110.692 175.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.74 -74.65 0.21 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 74.53 110.058 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.15 69.11 0.19 Allowed Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.909 -0.477 . . . . 62.3 111.909 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -126.86 148.91 49.97 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.91 0.484 . . . . 75.2 111.649 -176.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.831 0.852 . . . . 71.22 110.469 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 84.5 t -102.36 128.44 55.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.143 -0.48 . . . . 74.31 110.58 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.429 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 19.5 m-85 -114.79 114.59 25.77 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 106.293 -1.743 . . . . 73.23 106.293 170.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 6' ' ' LEU . 41.8 tp -107.14 132.49 52.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.694 0.798 . . . . 74.04 111.657 -168.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 35.9 tp -108.29 123.02 48.15 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.792 0.837 . . . . 72.13 109.098 166.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.645 ' HB3' HD11 ' A' ' 90' ' ' LEU . 87.6 mt -106.11 113.34 26.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 123.825 0.85 . . . . 73.03 109.265 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -113.09 112.77 24.4 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.407 0.683 . . . . 74.42 109.2 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -155.94 143.2 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.522 -0.918 . . . . 71.41 108.522 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.79 -32.55 65.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.804 0.841 . . . . 73.15 111.762 -174.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.34 98.5 8.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.222 -0.658 . . . . 65.33 109.222 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -68.52 -38.39 80.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.059 0.544 . . . . 73.03 110.932 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.5 -48.19 76.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.598 0.759 . . . . 75.42 110.89 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.9 -34.97 77.68 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.793 -0.639 . . . . 74.53 110.17 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 82' ' ' LEU . 22.8 tp -70.82 -32.02 68.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.154 -0.93 . . . . 73.52 111.061 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 14.5 tp10 -56.78 -52.26 65.71 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.929 0.768 . . . . 73.43 110.09 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.24 -56.43 20.02 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.458 1.099 . . . . 75.12 110.829 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' CZ ' HD21 ' A' ' 64' ' ' LEU . 27.4 t80 -53.4 -44.7 68.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.633 1.173 . . . . 74.41 111.308 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -65.99 -40.66 91.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.188 -0.915 . . . . 74.42 111.063 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 13.7 mtp180 -62.09 -36.86 82.99 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.671 0.607 . . . . 74.45 111.766 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.06 -51.26 70.8 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.359 0.599 . . . . 74.51 110.066 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.8 mt -68.87 -26.36 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 114.687 -1.142 . . . . 75.31 111.828 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.01 -28.09 69.56 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.099 0.96 . . . . 71.41 111.078 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -74.29 -24.41 59.24 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.703 0.801 . . . . 61.04 112.097 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.19 -15.85 59.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.142 0.577 . . . . 71.14 112.159 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.91 57.77 2.97 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.838 0.132 . . . . 64.21 113.39 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.81 158.51 28.71 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.013 0.925 . . . . 74.45 109.254 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 92.5 7.66 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.224 -1.399 . . . . 65.32 107.224 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 94' ' ' LYS . 31.6 t -105.78 113.34 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.559 -0.746 . . . . 73.41 109.339 -170.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -108.47 137.11 46.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.151 0.58 . . . . 73.12 109.588 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 8.6 mtpm? -97.12 149.51 21.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.798 0.839 . . . . 75.23 109.174 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.77 153.97 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.57 0.748 . . . . 75.43 109.92 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -117.51 -30.77 5.43 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 62.2 110.556 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 152.96 21.24 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 112.664 0.616 . . . . 73.53 112.664 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -55.57 7.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.446 1.498 . . . . 71.14 111.53 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.35 -43.62 90.31 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.206 -0.906 . . . . 74.05 109.42 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.5 mm-40 -61.63 -42.68 99.23 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.185 -0.916 . . . . 71.22 111.212 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.482 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -50.9 -52.2 44.29 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.177 0.923 . . . . 72.45 111.246 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.426 HD12 ' HE3' ' A' ' 17' ' ' LYS . 54.7 mt -59.44 -36.35 75.76 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 124.025 0.828 . . . . 75.44 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 95.8 mttt -70.54 -29.74 66.29 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.48 -0.782 . . . . 75.32 111.816 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 21.3 mm -77.28 -34.23 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 N-CA-C 109.374 -0.602 . . . . 75.11 109.374 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 113' ' ' ALA . 25.6 t -62.46 -43.08 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.93 0.492 . . . . 73.43 110.62 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 34.0 ptt180 -64.82 -25.51 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.365 0.415 . . . . 70.24 111.157 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 51.6 mm-40 -72.68 -41.31 65.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 122.842 0.457 . . . . 74.23 110.022 174.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 5' ' ' ILE . 30.7 m-85 -60.78 -43.73 97.7 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.231 0.613 . . . . 74.51 111.245 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.439 ' SD ' ' HB ' ' A' ' 22' ' ' VAL . 77.0 mtm -69.46 -25.06 63.9 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.611 0.764 . . . . 74.23 111.83 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.04 -40.71 68.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.057 0.543 . . . . 63.22 110.743 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.7 mttm -66.23 -52.12 50.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.724 0.81 . . . . 73.24 110.206 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.45 -34.12 75.4 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.487 -1.233 . . . . 75.23 110.856 -176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.75 94.3 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.253 -0.885 . . . . 61.53 112.894 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.8 m -73.41 -34.8 65.68 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.782 0.433 . . . . 64.11 111.244 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.37 -15.55 59.32 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.982 0.513 . . . . 73.25 111.996 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.69 -59.03 4.72 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.047 0.539 . . . . 72.31 110.852 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -89.67 57.56 3.96 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.559 0.695 . . . . 64.3 109.316 171.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 89.66 0.15 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.232 -0.895 . . . . 75.22 110.14 171.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -57.41 -47.67 81.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.105 0.962 . . . . 74.41 110.127 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -83.81 128.64 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.152 -1.055 . . . . 65.11 108.152 172.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -69.74 116.29 9.96 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.088 0.555 . . . . 73.21 110.637 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 124.427 1.091 . . . . 64.04 110.129 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 109.828 -0.434 . . . . 75.22 109.828 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -114.79 149.87 36.31 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.602 0.761 . . . . 73.22 109.675 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.6 mt -110.6 119.08 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.762 -0.829 . . . . 75.43 108.762 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB2' HG23 ' A' ' 78' ' ' VAL . 58.4 mt -105.06 142.13 35.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.162 -1.051 . . . . 75.2 108.162 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 HD13 ' HB3' ' A' ' 120' ' ' PHE . 22.3 mm -114.12 102.66 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 106.946 -1.502 . . . . 71.44 106.946 172.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.634 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.37 127.93 37.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.462 -1.681 . . . . 73.43 106.462 -176.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.69 127.76 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.957 0.503 . . . . 73.14 109.689 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 58' ' ' SER . 25.2 t-20 -115.85 116.4 27.93 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.164 -1.05 . . . . 73.44 108.164 171.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -125.53 144.08 50.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.064 0.546 . . . . 71.21 109.746 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.19 -25.5 60.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.999 0.92 . . . . 71.24 110.6 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' A' ' 14' ' ' LEU . 75.6 m-20 -106.48 128.64 54.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.929 0.891 . . . . 75.12 111.42 -169.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.17 -19.58 65.6 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.491 1.117 . . . . 70.23 112.045 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.46 -51.06 70.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.454 0.702 . . . . 75.23 109.869 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -64.36 -36.36 83.88 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.309 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 57' ' ' ILE . 55.0 mt -52.42 -59.58 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.161 0.584 . . . . 72.24 110.683 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.53 -32.22 69.59 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.533 -0.758 . . . . 72.41 112.398 -172.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HE2' HD12 ' A' ' 114' ' ' LEU . 59.8 mtpt -74.84 -37.9 62.14 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.294 0.638 . . . . 74.42 112.063 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 117' ' ' VAL . 77.5 mt -62.87 -38.21 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.222 0.609 . . . . 61.24 110.264 173.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' HG12 ' A' ' 29' ' ' VAL . 98.6 mttt -53.78 -48.7 69.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.688 0.618 . . . . 75.3 111.048 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -64.66 -49.9 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.499 0.499 . . . . 73.45 110.612 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -44.38 -51.12 8.85 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.623 1.169 . . . . 53.24 112.649 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.634 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.4 m -88.56 -21.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.023 0.749 . . . . 75.45 113.023 -169.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -63.66 -35.49 80.72 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.178 0.513 . . . . 73.45 109.942 170.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -69.87 -14.36 62.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.161 -0.927 . . . . 73.04 111.572 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 21.6 mm-40 -110.73 4.76 20.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.248 1.019 . . . . 75.42 111.804 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.57 40.43 98.68 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 114.551 0.58 . . . . 63.42 114.551 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.6 m-85 -99.98 131.83 45.71 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.93 0.892 . . . . 75.21 109.316 173.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HB2' HD12 ' A' ' 54' ' ' ILE . 1.9 mp0 -77.7 105.91 9.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.319 1.047 . . . . 73.1 108.896 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' HG2' ' A' ' 19' ' ' LYS . 20.8 t -82.02 131.64 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.506 0.722 . . . . 75.21 111.737 -170.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.518 ' NH1' ' HB2' ' A' ' 41' ' ' GLU . 96.8 mtt180 -126.36 156.03 41.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.333 1.053 . . . . 75.33 109.725 165.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.86 125.28 17.66 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.165 -1.05 . . . . 74.44 108.165 166.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG12 ' HB2' ' A' ' 38' ' ' LEU . 60.8 t -104.2 115.23 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.958 0.903 . . . . 75.31 108.573 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.68 -8.94 17.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.347 0.659 . . . . 71.52 110.906 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.95 146.02 30.88 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.291 0.567 . . . . 73.31 111.769 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -58.1 -30.56 66.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.642 1.177 . . . . 61.41 112.758 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.08 -45.59 86.88 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.338 0.655 . . . . 74.13 110.908 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -69.18 -42.19 76.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.365 -0.834 . . . . 72.22 109.412 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' HB2' HG12 ' A' ' 32' ' ' VAL . 5.7 tt -55.71 -50.4 70.42 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.138 1.375 . . . . 75.34 112.628 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.562 -0.744 . . . . 74.43 111.459 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 32.2 mmmt -69.78 -55.29 10.26 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.817 0.698 . . . . 75.24 110.444 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 10.6 pt-20 -68.79 -30.83 69.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.193 0.812 . . . . 75.53 113.193 -161.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 45' ' ' LEU . 11.2 mmt -68.98 -38.0 79.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 75.23 111.444 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.79 -33.24 70.54 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.37 -0.377 . . . . 73.43 109.998 175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 14.8 mmmm -64.68 -37.01 86.11 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.833 -0.621 . . . . 74.45 110.583 176.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 HD13 ' SD ' ' A' ' 42' ' ' MET . 82.4 mt -57.92 -37.12 73.49 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.471 0.708 . . . . 65.44 112.085 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.35 67.08 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.272 -0.876 . . . . 75.44 111.448 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.67 -27.56 15.8 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.95 0.9 . . . . 72.33 110.994 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 13.5 mm-40 -68.36 -39.39 81.84 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.845 0.858 . . . . 75.45 109.795 178.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 72.11 -67.47 0.26 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.567 1.547 . . . . 75.5 114.489 168.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -61.97 175.98 0.62 Allowed 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 124.054 0.942 . . . . 75.44 112.376 -168.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -74.7 14.34 0.5 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.354 1.242 . . . . 75.22 114.354 -162.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.13 123.55 9.66 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.558 0.743 . . . . 73.44 112.147 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG3' ' HB ' ' A' ' 3' ' ' ILE . 1.5 mppt? -81.3 103.45 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.16 -1.052 . . . . 74.32 108.16 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 28' ' ' GLN . 21.3 mm -101.17 112.33 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.527 -1.286 . . . . 74.42 107.527 -176.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -93.17 126.7 38.41 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.244 -1.021 . . . . 75.5 108.244 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.634 ' HB ' HD23 ' A' ' 6' ' ' LEU . 17.9 mm -110.75 112.27 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 108.997 -0.742 . . . . 75.03 108.997 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 15' ' ' ILE . 59.7 mt -92.42 127.59 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.236 -1.024 . . . . 74.04 108.236 169.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.8 t -135.86 116.5 13.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.614 -1.254 . . . . 73.31 107.614 173.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.16 -20.44 62.29 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.652 0.781 . . . . 71.44 110.898 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.26 134.89 49.68 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.978 0.911 . . . . 74.45 110.518 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 60.9 mttp -78.46 -25.54 45.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.301 0.641 . . . . 75.24 112.25 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 34.2 tt0 -65.75 -46.23 79.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.329 -0.619 . . . . 74.25 109.329 177.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.06 -41.96 84.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.491 0.716 . . . . 73.41 110.728 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD13 HD12 ' A' ' 80' ' ' LEU . 6.6 tt -58.63 -38.7 78.64 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.954 0.502 . . . . 74.04 111.316 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 58.7 mtpt -66.49 -48.87 68.46 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.097 0.559 . . . . 75.44 111.028 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 10.8 mm-40 -54.81 -44.56 73.91 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.135 0.897 . . . . 72.31 109.968 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.551 ' HG2' HD21 ' A' ' 6' ' ' LEU . 48.0 tpp -61.22 -47.57 85.48 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.637 -1.62 . . . . 61.23 111.685 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 HD21 HD13 ' A' ' 71' ' ' ILE . 97.3 mt -66.21 -36.16 82.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.319 0.648 . . . . 73.54 111.238 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 42.2 mt-10 -67.26 -34.14 76.81 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.795 -0.639 . . . . 74.43 110.387 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.71 -37.87 79.83 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.711 0.404 . . . . 63.42 110.819 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 78' ' ' VAL . 98.7 mt -65.32 -32.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.425 0.69 . . . . 63.23 110.009 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -67.4 -23.21 65.54 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.66 0.784 . . . . 75.41 111.468 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.4 mmmm -83.8 -30.91 26.19 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.466 0.706 . . . . 73.41 111.235 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -94.06 -60.67 1.69 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.385 0.674 . . . . 65.44 110.569 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.14 84.98 1.72 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.548 -0.751 . . . . 65.34 111.575 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -131.44 152.75 50.4 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.655 0.782 . . . . 75.14 110.927 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -76.26 94.07 3.5 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.873 -0.788 . . . . 75.45 108.873 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 71' ' ' ILE . 85.2 t -102.43 126.86 56.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 123.646 0.779 . . . . 74.25 110.995 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.42 114.58 28.97 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.24 -1.392 . . . . 74.14 107.24 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 HD12 HD13 ' A' ' 64' ' ' LEU . 37.8 tp -102.1 124.33 47.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.161 0.584 . . . . 74.13 111.377 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.8 tp -106.35 122.03 45.42 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.729 -0.841 . . . . 74.23 108.729 168.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' A' ' 90' ' ' LEU . 86.7 mt -106.94 112.78 25.89 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.073 0.949 . . . . 73.34 109.075 172.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -109.28 117.83 35.1 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.219 -1.4 . . . . 73.3 107.219 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.546 ' HB3' HD23 ' A' ' 90' ' ' LEU . 23.0 t70 -154.61 153.74 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.374 -0.602 . . . . 73.35 109.374 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.4 -19.98 25.86 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.33 0.652 . . . . 74.52 111.278 -172.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -109.1 85.44 2.1 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.93 . . . . 74.43 108.772 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.582 ' HB3' ' HZ1' ' A' ' 106' ' ' LYS . 27.1 mt-10 -81.69 -12.02 58.82 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.638 1.347 . . . . 65.31 114.638 -168.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -71.68 -43.38 66.1 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 108.932 -0.766 . . . . 75.53 108.932 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.37 -39.08 74.8 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.879 -1.055 . . . . 75.35 109.545 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -63.48 -37.18 86.3 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.117 -0.947 . . . . 75.0 112.055 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 7.3 tt0 -72.18 -37.15 69.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.671 0.388 . . . . 73.41 111.254 -176.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.497 ' HA ' ' HE ' ' A' ' 95' ' ' ARG . 16.8 mm-40 -64.22 -31.93 73.32 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 75.23 111.563 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -79.52 -36.89 37.79 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.133 0.973 . . . . 72.34 110.824 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 22.8 ttpp -61.92 -55.71 26.8 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.936 0.895 . . . . 75.52 111.489 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 43.6 ptt85 -57.34 -24.12 53.19 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.405 1.066 . . . . 74.3 112.703 -170.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.4 -51.37 37.21 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.298 1.039 . . . . 73.1 110.788 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.0 mt -67.23 -39.06 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.798 1.239 . . . . 64.24 110.752 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.24 -29.72 67.71 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.132 -1.395 . . . . 72.24 110.942 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -74.14 -19.44 60.57 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.437 0.695 . . . . 73.12 110.917 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -86.26 0.3 54.12 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.81 0.844 . . . . 74.45 111.983 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.67 54.47 2.93 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.842 0.135 . . . . 71.32 113.189 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -123.11 142.82 50.47 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.53 -0.915 . . . . 73.41 108.53 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.96 92.08 4.9 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.734 -0.839 . . . . 75.12 108.734 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 20.2 t -106.18 131.05 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.466 0.706 . . . . 74.23 110.165 -174.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -126.76 148.47 49.9 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.979 0.912 . . . . 75.23 110.001 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.582 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 10.0 mtpm? -112.35 148.93 33.22 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.716 0.806 . . . . 74.25 110.555 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.99 145.63 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.183 0.593 . . . . 74.22 111.343 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 p -106.76 -35.84 6.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.948 0.899 . . . . 74.33 110.568 170.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.79 142.08 35.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.402 0.681 . . . . 71.4 110.585 -168.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -70.9 -41.11 71.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.273 0.629 . . . . 71.43 111.565 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 66.3 mm-40 -64.01 -49.33 72.86 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.792 0.437 . . . . 73.33 110.224 176.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.8 tp10 -64.63 -34.22 77.78 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.988 0.805 . . . . 74.34 111.704 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.06 -48.37 78.72 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.984 0.514 . . . . 75.1 110.562 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.453 HD12 ' HE2' ' A' ' 17' ' ' LYS . 64.6 mt -60.92 -37.44 82.3 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.172 0.92 . . . . 72.54 110.759 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 33.0 mmtp -64.05 -42.09 97.15 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.445 0.698 . . . . 70.24 110.858 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.1 mm -70.17 -30.1 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.676 0.61 . . . . 73.53 111.111 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.0 t -63.95 -43.1 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.677 -0.49 . . . . 71.3 109.677 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -65.36 -31.34 72.4 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.637 0.775 . . . . 75.32 111.223 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 35.0 mm-40 -66.59 -47.91 71.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.22 0.608 . . . . 75.05 110.165 174.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.435 ' HB3' HD13 ' A' ' 5' ' ' ILE . 20.5 m-30 -61.42 -38.56 87.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.371 0.668 . . . . 73.32 111.929 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.634 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.8 mtm -68.01 -33.05 73.88 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.244 0.618 . . . . 75.22 111.775 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -51.06 60.52 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.533 0.733 . . . . 74.15 109.755 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 57.4 mttm -60.48 -48.21 82.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.192 -0.913 . . . . 62.31 109.933 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.3 92.8 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 114.653 -1.158 . . . . 70.33 110.851 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.94 -23.0 72.58 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.812 0.695 . . . . 53.44 113.078 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 m -80.69 -33.61 35.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.131 0.572 . . . . 74.44 110.141 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 75.7 mt -76.98 -16.7 59.25 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.565 0.746 . . . . 75.3 110.337 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -74.47 -7.05 51.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.83 1.252 . . . . 74.11 112.75 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -71.46 80.79 0.78 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.917 0.487 . . . . 70.33 110.614 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 167.84 -40.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.036 2.134 . . . . 74.4 107.716 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.0 127.93 33.74 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.901 -1.045 . . . . 64.53 109.331 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -82.86 104.32 12.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.613 0.765 . . . . 73.44 110.064 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -116.41 144.18 44.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.96 1.304 . . . . 75.53 108.235 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 C--O 1.25 1.106 0 N-CA-C 108.603 -0.888 . . . . 63.2 108.603 173.809 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.396 0.141 . . . . 74.45 111.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 15.1 ptmt -55.65 148.57 15.83 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.321 1.23 . . . . 74.41 114.321 -165.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' A' ' 77' ' ' LYS . 68.2 mt -94.77 122.2 46.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 113.883 -1.508 . . . . 73.42 109.473 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.502 HD22 ' HE2' ' A' ' 2' ' ' LYS . 65.0 mt -103.75 145.73 29.66 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 171.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.1 mm -105.26 103.71 15.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.331 -1.729 . . . . 55.54 106.331 168.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.628 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.72 118.04 30.3 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.622 -1.622 . . . . 74.32 106.622 -174.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 18' ' ' ILE . 69.6 mt -127.68 122.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.408 -0.59 . . . . 72.52 109.408 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.6 t30 -114.59 112.48 22.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 107.199 -1.408 . . . . 71.24 107.199 169.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -126.12 144.29 50.8 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.992 -0.744 . . . . 71.22 108.992 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -80.45 -24.56 39.46 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.658 0.742 . . . . 72.54 109.032 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.29 115.65 19.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.796 -1.093 . . . . 64.23 111.366 -171.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.04 -37.62 77.41 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.911 1.285 . . . . 51.32 111.63 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.83 -45.1 95.29 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.164 -0.926 . . . . 64.42 110.738 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.4 -32.92 74.8 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 119.174 -0.441 . . . . 75.22 111.824 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.5 mt -54.22 -66.51 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 123.98 0.8 . . . . 74.21 109.608 175.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.02 -34.21 77.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.887 0.875 . . . . 72.11 112.844 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -66.78 -50.63 62.05 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.228 0.611 . . . . 72.33 110.906 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 7' ' ' ILE . 94.8 mt -62.43 -35.78 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.598 0.759 . . . . 64.41 110.55 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 60.2 mtpt -54.66 -46.29 73.97 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.127 0.571 . . . . 73.41 111.397 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.76 -41.9 51.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.825 0.45 . . . . 74.33 110.736 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -46.8 -53.97 10.84 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.453 1.096 . . . . 74.43 111.98 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.5 m -84.94 -24.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 114.95 -1.023 . . . . 63.32 111.759 -171.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.1 -41.17 87.49 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.685 0.794 . . . . 75.12 110.042 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -68.51 -28.98 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.977 -1.01 . . . . 74.24 111.22 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.33 1.32 55.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.637 0.775 . . . . 64.35 112.535 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.45 17.43 71.2 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 114.789 0.676 . . . . 73.04 114.789 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.489 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 18.6 m-85 -99.27 97.69 8.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.193 -1.04 . . . . 71.12 108.193 176.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.67 119.92 9.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.901 0.881 . . . . 71.24 110.33 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 19' ' ' LYS . 38.4 t -75.65 131.81 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.107 0.963 . . . . 74.51 110.497 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -128.75 130.04 46.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.967 -1.494 . . . . 75.15 106.967 166.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.67 137.01 55.03 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.804 -0.813 . . . . 73.0 108.804 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG11 ' HB2' ' A' ' 38' ' ' LEU . 75.2 t -127.28 118.98 51.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 124.238 1.015 . . . . 74.12 108.653 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -120.12 7.59 10.84 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.617 0.767 . . . . 73.42 110.717 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 23.9 t70 -146.06 141.48 27.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.03 0.532 . . . . 72.43 111.055 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 17.9 m -56.35 -42.42 77.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.372 1.069 . . . . 73.12 113.104 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.3 m-20 -61.86 -41.78 98.26 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 110.339 -0.245 . . . . 72.25 110.339 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 45.5 mt-10 -61.39 -39.33 90.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.268 0.627 . . . . 72.14 110.635 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' HG11 ' A' ' 32' ' ' VAL . 7.8 tt -57.99 -52.15 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.218 0.949 . . . . 72.31 111.442 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.9 mtpp -69.84 -36.59 75.69 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.837 -1.074 . . . . 74.43 110.019 -174.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.1 mmtp -62.05 -44.17 97.27 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.3 0.64 . . . . 74.15 110.713 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.2 -48.74 80.13 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.153 0.981 . . . . 73.15 110.373 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.404 ' HE3' ' SD ' ' A' ' 67' ' ' MET . 11.2 mmt -71.64 -22.52 61.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.516 -0.766 . . . . 75.32 112.37 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 mmmm -66.83 -43.32 84.07 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.645 -0.502 . . . . 75.0 109.645 170.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 29.8 mmmt -71.43 -33.69 69.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.071 0.548 . . . . 74.22 111.014 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD12 ' SD ' ' A' ' 42' ' ' MET . 94.3 mt -68.34 -40.01 81.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.396 0.678 . . . . 74.13 109.625 174.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.24 77.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.475 0.71 . . . . 72.45 111.084 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.93 -35.04 66.93 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.699 0.8 . . . . 74.41 110.939 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.81 104.3 2.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.407 0.683 . . . . 72.03 110.75 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' HB2' ' HZ2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -88.93 54.74 3.1 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 122.234 1.016 . . . . 74.02 110.143 175.002 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -148.6 162.9 38.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.607 -1.179 . . . . 75.33 109.769 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.614 ' HA ' ' HB3' ' A' ' 2' ' ' LYS . 42.8 p90 -101.6 30.33 4.36 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.596 1.158 . . . . 74.12 111.779 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.14 132.43 53.91 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 118.065 0.393 . . . . 71.02 110.335 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -76.09 116.22 16.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.052 0.453 . . . . 74.42 110.518 -175.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -124.93 117.67 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.207 -0.906 . . . . 70.01 108.713 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -90.45 127.52 36.24 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.647 -1.242 . . . . 74.45 107.647 169.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.628 ' HB ' HD23 ' A' ' 6' ' ' LEU . 30.4 mm -104.48 112.48 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.014 -0.735 . . . . 73.34 109.014 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.428 HD12 HG22 ' A' ' 15' ' ' ILE . 68.8 mt -92.28 130.69 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.054 -1.091 . . . . 73.42 108.054 168.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -143.79 130.61 20.36 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.05 -1.463 . . . . 73.11 107.05 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -93.66 -5.78 47.86 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.961 0.504 . . . . 74.33 110.536 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -110.16 115.66 30.14 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.02 -1.104 . . . . 73.31 108.02 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.07 -17.83 61.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.293 0.637 . . . . 63.2 112.073 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 53.8 tp60 -70.87 -42.19 70.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.344 0.657 . . . . 73.42 109.621 171.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.52 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.93 -0.577 . . . . 74.15 110.091 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 93' ' ' PHE . 9.5 tt -60.9 -43.94 97.83 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.504 -0.317 . . . . 73.43 110.642 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 55.4 mtpt -57.02 -50.09 73.79 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.345 0.658 . . . . 71.22 111.409 176.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -51.08 -51.09 56.71 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.99 0.916 . . . . 74.22 111.22 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.515 ' HG2' HD21 ' A' ' 6' ' ' LEU . 46.7 tpp -58.52 -43.14 89.06 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.248 -1.342 . . . . 71.45 111.195 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.434 HD22 HD12 ' A' ' 71' ' ' ILE . 81.0 mt -69.39 -38.48 78.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.506 0.722 . . . . 73.12 112.215 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -57.81 -45.76 85.64 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.566 0.541 . . . . 72.02 110.154 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.62 -40.94 84.66 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.881 -1.054 . . . . 72.33 111.574 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.434 HD12 HD22 ' A' ' 68' ' ' LEU . 37.4 mt -58.84 -42.39 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 124.533 1.133 . . . . 75.11 110.72 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.4 t -64.89 -41.44 95.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.885 0.741 . . . . 72.51 111.03 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -76.03 -35.25 59.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.083 0.553 . . . . 75.11 111.346 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.55 -15.63 59.14 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.61 0.764 . . . . 75.21 110.995 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.74 39.46 85.99 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 123.615 0.626 . . . . 75.22 113.747 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -81.97 138.44 34.93 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.481 0.312 . . . . 65.13 111.452 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.496 ' HB3' HG12 ' A' ' 3' ' ' ILE . 6.7 tmtm? -84.59 92.78 8.22 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 106.947 -1.501 . . . . 73.23 106.947 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 4' ' ' LEU . 90.6 t -114.48 133.26 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.061 0.544 . . . . 73.25 111.686 -168.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -99.74 151.47 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.81 -1.181 . . . . 75.01 107.81 171.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.6 tp -132.08 132.67 43.54 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.261 0.482 . . . . 71.43 111.789 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD12 HG21 ' A' ' 116' ' ' ILE . 45.1 tp -123.26 114.09 19.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.423 1.089 . . . . 75.32 108.699 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.81 136.24 40.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.759 0.823 . . . . 75.31 109.137 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -141.63 115.51 9.19 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.042 0.537 . . . . 70.23 109.817 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 43.7 m-20 -134.63 149.22 50.53 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.082 0.953 . . . . 74.23 108.452 172.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.84 -32.32 71.93 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.27 0.628 . . . . 74.31 109.822 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -90.4 96.53 10.7 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.434 -0.95 . . . . 74.53 108.434 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 31.3 mt-10 -74.9 -14.18 60.63 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.356 -0.838 . . . . 72.0 112.3 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.16 -55.61 11.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.531 0.732 . . . . 73.04 110.992 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.99 -34.12 75.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.832 0.453 . . . . 72.21 110.562 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 17.2 tp -61.56 -42.98 99.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.414 1.086 . . . . 73.32 110.706 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 19.5 tp10 -64.76 -54.29 33.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.268 0.627 . . . . 71.4 110.265 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.32 -58.25 6.08 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.318 1.011 . . . . 75.43 111.749 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' CE2' HD22 ' A' ' 64' ' ' LEU . 40.8 t80 -61.68 -33.36 73.84 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.093 0.957 . . . . 72.24 111.73 -175.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HZ3' ' HD2' ' A' ' 106' ' ' LYS . 2.6 tmmm? -61.29 -47.97 83.51 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.347 1.059 . . . . 73.2 109.759 176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 61.9 mtp85 -61.21 -33.81 74.08 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.679 0.792 . . . . 75.34 112.575 -173.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 5.0 mptp? -63.53 -52.15 62.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.946 0.499 . . . . 75.31 109.762 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -73.06 -30.32 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 114.769 -1.105 . . . . 73.11 111.068 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.52 -38.73 90.51 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 108.708 -0.849 . . . . 74.42 108.708 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 t -73.31 -23.47 60.26 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.422 -0.808 . . . . 74.43 111.208 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 92.3 mt-30 -73.21 -10.71 60.06 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.378 0.671 . . . . 73.05 111.516 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.99 55.25 2.29 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.419 -0.672 . . . . 74.44 111.419 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.93 148.66 49.17 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.8 0.84 . . . . 72.23 110.474 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -75.2 93.22 2.79 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.494 -1.299 . . . . 74.45 107.494 167.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.61 118.34 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.38 -0.6 . . . . 75.1 109.38 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -111.03 132.64 54.05 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.786 -1.19 . . . . 75.14 107.786 174.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.492 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 14.3 ptmm? -111.98 147.31 36.2 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.529 -0.545 . . . . 74.5 109.529 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -155.51 159.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 122.792 0.437 . . . . 74.04 110.735 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -141.72 43.92 1.72 Allowed 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 107.5 -1.296 . . . . 72.42 107.5 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.48 133.92 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.361 -1.291 . . . . 71.43 109.603 -174.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.16 -47.04 47.26 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.132 0.789 . . . . 74.22 113.132 -170.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.23 -33.79 63.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.666 0.387 . . . . 65.3 110.348 -175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.2 tp10 -64.71 -40.47 95.41 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.674 0.609 . . . . 75.44 109.64 173.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -60.92 -48.36 82.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.573 0.546 . . . . 71.21 111.755 177.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.46 HD11 ' HE2' ' A' ' 17' ' ' LYS . 93.5 mt -57.72 -38.33 75.11 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.421 0.688 . . . . 70.5 110.426 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 71.2 tttt -62.69 -46.2 89.27 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.995 -1.002 . . . . 74.14 110.691 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.569 HG21 HD12 ' A' ' 81' ' ' LEU . 46.3 mm -58.16 -42.36 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.258 0.623 . . . . 75.32 110.942 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 113' ' ' ALA . 25.2 t -65.81 -41.11 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 115.441 -0.799 . . . . 65.51 110.482 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -67.62 -30.05 69.52 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.018 0.527 . . . . 72.13 111.403 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 47.7 mt-10 -66.7 -46.12 76.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.216 0.606 . . . . 64.13 109.482 173.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' ILE . 18.6 m-30 -60.24 -45.52 92.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.201 1.0 . . . . 74.23 112.634 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.0 mtm -67.29 -29.03 68.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.404 0.682 . . . . 74.15 111.418 177.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.56 -38.32 70.98 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.688 0.795 . . . . 74.52 110.979 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 64.0 mttm -66.23 -49.13 68.3 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.023 0.929 . . . . 72.31 110.055 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 128' ' ' GLU . . . -62.76 -38.41 90.45 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 114.866 -1.061 . . . . 74.15 109.843 175.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.43 -35.39 91.89 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.391 -0.822 . . . . 53.12 113.369 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.3 m -66.69 -31.77 72.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.941 0.497 . . . . 65.42 110.243 177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.55 -37.65 27.41 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.773 0.829 . . . . 74.43 110.866 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 57.2 mm-40 -68.63 -48.66 63.47 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.207 0.603 . . . . 74.41 111.161 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -79.61 167.11 21.15 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.342 -0.845 . . . . 73.34 110.583 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -58.77 118.2 5.44 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.289 0.993 . . . . 72.34 110.46 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -67.56 -35.7 79.55 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.186 -0.915 . . . . 75.24 109.498 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -76.93 89.73 3.51 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.56 -1.2 . . . . 72.02 109.414 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -92.01 28.82 1.74 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.694 0.798 . . . . 75.51 110.818 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.095 0.958 . . . . 75.41 109.64 178.254 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 110.126 -0.324 . . . . 75.14 110.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -159.85 161.3 34.44 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.238 1.015 . . . . 70.43 109.326 171.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.74 124.46 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.419 0.688 . . . . 74.33 109.939 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' HB2' HG23 ' A' ' 78' ' ' VAL . 72.9 mt -117.01 110.29 18.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.852 0.861 . . . . 74.01 108.924 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.74 107.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.152 -1.055 . . . . 74.42 108.152 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.641 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.02 125.51 38.69 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.774 -1.565 . . . . 74.4 106.774 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.44 129.12 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.029 0.532 . . . . 71.25 110.093 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -120.85 115.7 23.76 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.414 -1.328 . . . . 74.21 107.414 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -125.45 144.24 50.62 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 108.789 -0.819 . . . . 73.51 108.789 170.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -73.13 -27.72 61.84 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.155 -0.683 . . . . 71.54 109.155 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -96.42 113.64 25.24 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.525 1.13 . . . . 62.41 110.16 -170.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.0 -20.42 63.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.504 0.722 . . . . 74.23 112.331 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -55.0 -49.57 71.19 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.965 0.906 . . . . 72.22 110.635 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 110' ' ' ASP . 3.5 mm? -67.7 -31.13 70.88 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.456 -0.793 . . . . 63.55 112.016 179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.501 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 58.6 mt -55.18 -58.43 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 118.21 0.459 . . . . 73.14 110.272 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -67.13 -35.66 80.2 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.485 0.55 . . . . 75.54 112.485 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HE3' HD12 ' A' ' 114' ' ' LEU . 27.7 mtpp -71.3 -39.55 71.38 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.23 0.456 . . . . 75.13 112.23 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.73 -36.0 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.5 0.72 . . . . 62.15 109.909 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 96.9 mttt -55.28 -37.39 67.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.976 0.51 . . . . 74.44 111.54 175.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -70.7 -48.81 52.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.483 0.713 . . . . 72.23 111.024 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -52.07 -38.72 58.09 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.828 0.851 . . . . 73.4 112.462 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.705 HG11 ' SD ' ' A' ' 121' ' ' MET . 11.2 m -100.07 -9.19 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 65.31 112.317 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.46 -46.34 89.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.133 0.973 . . . . 72.54 110.034 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -83.49 3.81 30.63 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.516 -1.22 . . . . 73.13 111.406 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 29.9 mm-40 -113.52 -2.24 13.92 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.046 0.938 . . . . 74.24 110.936 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 48.74 41.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 114.458 0.543 . . . . 71.51 114.458 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 43.5 m-85 -108.19 121.94 45.89 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.776 -0.824 . . . . 74.32 108.776 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -74.42 107.81 6.8 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.847 -0.797 . . . . 73.51 108.847 170.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 HG22 ' HG2' ' A' ' 19' ' ' LYS . 47.0 t -79.27 124.14 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.535 -0.543 . . . . 74.4 109.535 177.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 29.8 mmm180 -116.17 120.53 39.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.196 0.998 . . . . 73.21 109.122 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -98.12 118.98 35.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.47 0.708 . . . . 75.34 110.288 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 ' HE2' ' A' ' 67' ' ' MET . 39.4 t -119.12 117.42 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.967 0.907 . . . . 73.23 109.449 -175.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -131.11 5.58 4.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.98 0.912 . . . . 64.12 110.22 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.19 144.11 34.59 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.783 0.833 . . . . 73.42 109.909 -175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -69.47 -38.21 77.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.32 1.048 . . . . 70.34 113.132 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.2 t70 -71.22 -34.09 70.5 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.799 0.44 . . . . 74.23 109.86 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.1 mm-40 -69.35 -33.21 72.75 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.636 0.585 . . . . 75.54 110.644 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tt -58.78 -45.88 88.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.235 0.614 . . . . 73.3 110.404 171.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 10.2 mtmp? -65.61 -27.41 68.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.859 0.464 . . . . 74.35 111.551 178.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.58 -48.5 79.2 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.672 -0.492 . . . . 72.14 109.672 172.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.8 mm-40 -61.76 -51.74 67.1 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 124.359 1.037 . . . . 74.21 110.79 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.59 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 53.7 mmm -60.84 -29.02 69.25 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.871 0.732 . . . . 74.45 111.655 -173.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.3 -59.67 2.85 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.834 0.709 . . . . 65.53 110.194 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -63.56 -35.57 80.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.491 0.716 . . . . 73.22 112.617 -169.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.09 -38.55 83.27 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.609 0.764 . . . . 72.11 110.595 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.22 -33.56 26.08 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.689 -0.687 . . . . 60.13 112.275 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.63 -25.99 54.42 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.593 0.757 . . . . 72.13 110.672 -175.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -89.83 76.72 7.12 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 108.502 -0.925 . . . . 73.44 108.502 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.35 96.19 0.48 Allowed 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.364 -0.834 . . . . 73.12 109.469 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 52' ' ' GLU . 51.8 t30 -168.94 150.75 4.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.999 -1.001 . . . . 74.1 108.528 -173.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -75.59 5.03 6.53 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.355 0.662 . . . . 72.32 112.417 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 36.0 tt0 -57.41 120.99 9.16 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.181 0.992 . . . . 64.32 110.726 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -83.58 112.83 20.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.963 -1.017 . . . . 75.42 109.576 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.33 150.87 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.134 0.973 . . . . 73.31 108.732 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 tt -116.18 128.5 55.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.097 -1.075 . . . . 74.31 108.097 176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.641 ' HB ' HD23 ' A' ' 6' ' ' LEU . 17.4 mm -115.95 123.24 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 N-CA-C 109.06 -0.719 . . . . 73.15 109.06 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.8 mt -107.16 132.49 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.983 -0.747 . . . . 74.41 108.983 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -131.03 119.94 22.73 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 107.288 -1.375 . . . . 73.33 107.288 172.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -70.37 -23.34 62.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.081 0.552 . . . . 73.11 110.808 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -102.47 116.12 31.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.437 -0.949 . . . . 73.42 108.437 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -78.18 -13.18 59.97 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.953 0.723 . . . . 73.35 112.953 -174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -68.0 -45.22 74.66 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.701 -0.852 . . . . 61.45 108.701 168.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.99 -36.63 84.18 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 115.823 -0.626 . . . . 75.53 110.639 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.522 HD13 HD11 ' A' ' 80' ' ' LEU . 7.1 tt -57.12 -45.8 83.16 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.431 0.457 . . . . 74.14 110.464 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.71 -54.14 49.88 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.659 0.599 . . . . 72.2 111.06 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.78 -47.73 64.07 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 124.186 0.929 . . . . 65.43 110.492 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.59 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 43.8 ttm -62.42 -49.47 75.35 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.109 -1.405 . . . . 72.33 112.09 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.639 HD23 HD13 ' A' ' 71' ' ' ILE . 87.5 mt -67.58 -29.95 69.44 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.049 0.54 . . . . 74.35 111.868 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.92 -35.53 72.3 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.975 0.51 . . . . 74.23 110.035 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.72 -31.86 63.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.999 0.52 . . . . 74.42 111.04 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.639 HD13 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -72.04 -30.26 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 109.497 -0.557 . . . . 75.13 109.497 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -65.52 -29.1 69.69 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.294 0.638 . . . . 71.01 110.388 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.63 -21.02 41.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.794 0.838 . . . . 72.22 111.059 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -91.08 -22.28 20.81 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.137 0.975 . . . . 74.25 111.37 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.25 26.13 71.47 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-O 119.284 -0.731 . . . . 41.24 114.874 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -81.11 148.19 29.73 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 117.729 0.764 . . . . 75.12 111.343 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -75.99 114.7 14.92 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.862 0.865 . . . . 74.55 110.349 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 4' ' ' LEU . 95.4 t -118.66 135.02 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.356 0.598 . . . . 72.54 111.984 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -112.07 117.61 33.11 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.091 -1.448 . . . . 72.32 107.091 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.522 HD11 HD13 ' A' ' 64' ' ' LEU . 56.8 tp -104.34 121.84 44.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.744 0.418 . . . . 64.44 110.551 -174.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 tp -107.03 113.89 27.64 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.712 -0.848 . . . . 74.42 108.712 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 90' ' ' LEU . 90.9 mt -101.82 136.51 41.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.836 0.855 . . . . 64.23 109.294 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -138.38 106.67 5.78 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.697 0.799 . . . . 73.1 108.943 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -141.19 148.69 40.36 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.249 -0.887 . . . . 73.12 108.632 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.99 -41.07 99.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.327 0.651 . . . . 73.54 111.701 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.6 95.33 9.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.011 0.524 . . . . 70.14 110.216 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.51 -32.53 62.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.803 1.241 . . . . 73.05 113.26 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.42 -57.72 11.73 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.09 0.868 . . . . 74.13 110.96 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.4 -16.34 46.31 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.847 0.459 . . . . 64.31 111.452 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 82' ' ' LEU . 26.3 tp -70.17 -38.22 75.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 74.51 110.258 174.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -77.19 -36.69 54.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.748 0.419 . . . . 74.43 110.522 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -53.52 -45.63 69.82 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.719 0.637 . . . . 75.34 111.062 170.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -74.25 -35.62 63.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.034 -0.985 . . . . 63.35 110.873 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.552 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 27.3 ttpp -61.21 -56.91 15.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.436 0.694 . . . . 75.11 111.148 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -60.78 -24.1 65.51 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.288 0.993 . . . . 75.42 112.995 -170.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -51.01 56.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.575 0.75 . . . . 74.54 110.845 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.75 -29.54 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 114.915 -1.039 . . . . 73.42 110.521 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -73.68 -30.87 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.846 -1.07 . . . . 73.24 109.743 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -74.25 -18.92 60.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.141 0.576 . . . . 72.34 110.677 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -75.03 -22.15 58.62 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.891 0.476 . . . . 74.35 110.382 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.35 47.53 1.05 Allowed Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.066 0.365 . . . . 72.33 112.657 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -126.27 138.23 53.59 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.137 0.975 . . . . 73.43 108.626 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.08 94.01 2.84 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.63 -0.878 . . . . 73.2 108.63 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 80' ' ' LEU . 22.8 t -102.96 117.68 48.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.119 -0.946 . . . . 74.42 109.121 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -110.0 147.27 33.83 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.648 0.779 . . . . 64.3 109.217 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.552 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 9.7 mtmp? -98.4 161.93 13.43 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.062 -0.517 . . . . 74.24 109.814 172.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -161.65 154.32 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 114.983 -1.008 . . . . 73.04 108.967 170.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.9 p -128.94 -25.26 2.81 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.115 0.966 . . . . 74.1 110.253 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.18 149.44 21.48 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.892 0.877 . . . . 71.54 111.63 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.489 ' HA ' HD13 ' A' ' 14' ' ' LEU . 7.2 m-20 -64.26 -57.97 7.9 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.357 1.063 . . . . 74.51 112.655 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 38.4 mt-10 -67.14 -37.98 84.75 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.07 -0.514 . . . . 74.41 110.231 -174.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.81 -36.19 83.51 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 123.706 0.629 . . . . 70.43 111.212 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.32 -47.85 80.48 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.313 0.383 . . . . 72.44 110.512 175.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.564 HD12 ' HE3' ' A' ' 17' ' ' LYS . 45.4 mt -64.82 -35.21 80.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.003 0.815 . . . . 74.31 111.039 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 64.3 mttp -63.13 -48.06 80.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.747 0.819 . . . . 72.41 110.911 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -72.54 -28.3 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.148 0.579 . . . . 74.02 110.828 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.24 -46.04 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 109.594 -0.521 . . . . 72.01 109.594 170.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -68.22 -30.62 69.72 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.964 0.506 . . . . 63.3 111.252 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 51.7 mm-40 -65.55 -46.68 78.6 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 123.506 0.504 . . . . 72.53 110.042 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -62.28 -37.28 84.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.515 0.726 . . . . 75.42 112.298 176.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.705 ' SD ' HG11 ' A' ' 22' ' ' VAL . 74.8 mtm -73.4 -26.79 61.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.184 0.593 . . . . 72.54 111.522 176.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -69.71 -44.01 71.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.707 0.803 . . . . 75.23 110.153 173.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.2 mttm -67.45 -46.45 73.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.49 -0.777 . . . . 74.32 109.794 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.29 80.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.136 0.974 . . . . 63.2 110.695 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.31 -24.94 75.87 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.255 -0.884 . . . . 72.5 112.94 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.2 t -84.2 -30.09 26.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.563 0.745 . . . . 75.23 110.572 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 97.4 mt -79.24 -20.64 47.71 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.598 0.759 . . . . 74.24 110.711 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.53 -21.8 62.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.478 1.111 . . . . 73.43 111.996 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -40.71 110.82 0.17 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.291 1.436 . . . . 74.5 113.69 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -74.73 -25.42 59.1 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.13 -0.693 . . . . 71.54 109.13 169.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -137.46 129.58 29.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 107.311 -1.366 . . . . 75.11 107.311 165.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -70.61 127.97 34.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.249 -0.649 . . . . 75.22 109.249 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -108.61 153.81 22.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.932 0.893 . . . . 74.42 110.334 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.9 m80 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.812 0.845 . . . . 75.2 108.954 174.096 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 73.4 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 45' ' ' LEU . 68.3 mttm -138.67 159.78 41.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.615 1.166 . . . . 73.41 108.847 174.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB1' ' A' ' 124' ' ' ALA . 47.2 mm -96.89 109.88 23.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.421 -1.326 . . . . 74.31 107.421 168.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' HB2' HG22 ' A' ' 78' ' ' VAL . 71.4 mt -113.17 109.0 18.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.611 -0.885 . . . . 74.31 108.611 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.5 mm -88.49 102.24 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.781 -1.563 . . . . 74.14 106.781 173.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.34 130.14 35.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.464 -1.68 . . . . 73.43 106.464 -176.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.588 HD13 HD23 ' A' ' 55' ' ' LEU . 70.3 mt -137.67 130.55 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 123.082 0.553 . . . . 74.22 109.521 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -114.7 109.22 17.88 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.682 -0.859 . . . . 73.13 108.682 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -129.05 125.78 38.02 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 108.042 -1.096 . . . . 73.14 108.042 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 59' ' ' ASN . 10.4 t30 -77.97 -13.52 59.85 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.217 0.607 . . . . 73.43 110.406 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -93.77 119.95 33.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.786 . . . . 71.3 109.913 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.65 -30.19 67.12 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.782 1.233 . . . . 75.22 112.451 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -57.0 -51.38 69.46 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.002 0.814 . . . . 74.52 110.018 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.33 -31.84 70.54 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.7 -0.667 . . . . 74.01 112.207 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG23 HG23 ' A' ' 57' ' ' ILE . 61.1 mt -54.71 -55.21 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 118.183 0.447 . . . . 74.23 109.889 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.13 -31.26 61.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 115.78 -0.645 . . . . 75.21 112.337 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -65.1 -50.99 63.94 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.238 0.615 . . . . 74.13 110.721 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.38 -40.47 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.956 0.903 . . . . 73.23 110.258 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HG2' HG11 ' A' ' 29' ' ' VAL . 96.8 mttt -53.81 -41.9 67.8 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 123.515 0.51 . . . . 73.32 111.769 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -78.36 -42.13 31.35 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.329 0.652 . . . . 74.43 111.912 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' HD23 ' A' ' 114' ' ' LEU . 19.5 mm-40 -48.94 -45.77 42.27 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.848 0.859 . . . . 74.21 111.176 171.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 55' ' ' LEU . 5.6 m -94.39 -14.2 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.455 -0.793 . . . . 72.35 112.088 -173.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.49 -42.29 98.55 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.723 0.809 . . . . 73.53 109.952 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.84 -21.88 66.01 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.02 -0.991 . . . . 64.25 111.064 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -100.92 10.11 41.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.778 0.831 . . . . 73.2 111.773 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.77 23.35 78.13 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 115.965 1.146 . . . . 71.34 115.965 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.34 109.15 20.08 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 117.976 0.888 . . . . 74.54 109.3 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.46 104.85 2.42 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.132 -0.692 . . . . 70.33 109.132 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.522 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.6 t -82.18 132.72 30.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.024 0.44 . . . . 70.43 110.865 -174.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HB2' HD13 ' A' ' 56' ' ' ILE . 11.9 mmt85 -126.18 111.93 15.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.997 1.319 . . . . 75.14 107.794 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.22 134.43 51.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.567 0.747 . . . . 75.04 109.266 -175.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -132.86 128.46 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.155 0.982 . . . . 53.14 109.557 -169.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -134.91 19.35 3.49 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.865 0.866 . . . . 75.3 110.496 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -145.72 146.28 31.19 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.693 0.797 . . . . 53.02 110.069 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.9 p -62.14 -43.94 97.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.315 1.046 . . . . 71.51 113.426 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 34.9 m-20 -69.01 -32.89 72.75 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.038 0.135 . . . . 62.44 110.92 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.66 0.384 . . . . 74.3 110.911 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -42.37 90.04 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.942 0.897 . . . . 74.2 110.621 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 52.4 mtpt -65.96 -39.34 90.34 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.978 -1.01 . . . . 71.32 111.114 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 73.8 mmtt -63.09 -49.12 75.73 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.236 0.614 . . . . 73.53 111.259 -179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 mm-40 -70.29 -35.51 73.77 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.259 0.624 . . . . 64.3 110.608 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.533 ' HE1' ' SD ' ' A' ' 67' ' ' MET . 9.2 mmt -64.54 -35.75 81.98 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.367 0.667 . . . . 71.33 111.254 174.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -62.02 -40.0 94.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 123.502 0.501 . . . . 73.33 110.516 174.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -70.34 -36.39 74.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.799 0.439 . . . . 75.43 110.981 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 78.5 mt -64.55 -39.6 94.06 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.109 0.563 . . . . 63.44 109.869 175.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.71 49.93 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.039 0.936 . . . . 51.55 112.252 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.82 -28.2 44.42 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.449 1.1 . . . . 73.32 111.619 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -125.03 60.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.874 -1.158 . . . . 63.33 107.874 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -82.0 72.47 9.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.832 0.825 . . . . 74.01 109.516 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -101.7 155.17 18.28 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.422 -1.325 . . . . 72.35 107.422 167.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 71.8 t80 -66.62 105.81 1.63 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.716 -0.846 . . . . 65.4 108.716 174.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.44 144.02 28.34 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.657 -0.701 . . . . 75.03 110.135 -164.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -102.62 99.15 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.953 0.882 . . . . 72.54 109.939 -175.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -112.5 141.04 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.479 1.111 . . . . 75.21 108.63 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 7' ' ' ILE . 9.3 tt -115.96 115.57 26.4 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 107.843 -1.169 . . . . 75.02 107.843 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.612 ' HB ' HD23 ' A' ' 6' ' ' LEU . 28.3 mm -97.33 120.57 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 108.728 -0.841 . . . . 75.24 108.728 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.479 HG23 HG23 ' A' ' 15' ' ' ILE . 75.1 mt -103.94 142.48 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 t -152.82 124.56 7.83 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.093 -1.077 . . . . 42.51 108.093 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 10' ' ' ASN . 33.8 p30 -82.29 -8.35 59.64 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.603 0.361 . . . . 72.13 110.536 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.25 116.25 31.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.517 1.127 . . . . 71.32 108.752 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -74.02 -21.64 59.89 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.638 0.607 . . . . 73.11 112.638 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 35.2 tt0 -65.96 -43.02 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 72.14 110.067 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.38 -33.63 74.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.041 -0.981 . . . . 75.1 110.696 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.51 HD11 HD13 ' A' ' 80' ' ' LEU . 5.3 tt -61.89 -40.89 96.97 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.741 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 53.8 mtpt -65.36 -49.39 69.54 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 72.34 110.473 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -54.98 -44.46 74.47 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.073 0.858 . . . . 71.21 110.802 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.533 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 42.8 tpp -56.15 -51.59 67.44 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.935 1.294 . . . . 71.31 110.118 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.424 HD23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -65.42 -36.27 83.43 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 74.3 111.94 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.07 -39.58 94.38 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.281 0.632 . . . . 72.42 110.792 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.436 HD13 ' HG3' ' A' ' 42' ' ' MET . 60.9 mt -70.2 -36.41 74.58 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.853 0.861 . . . . 74.32 111.264 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HG23 ' A' ' 78' ' ' VAL . 83.0 mt -62.6 -43.12 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.028 0.931 . . . . 72.41 110.786 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -62.1 -27.45 68.93 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.518 0.727 . . . . 74.13 111.746 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.18 -40.94 62.19 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.641 -0.709 . . . . 74.15 111.182 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.03 -34.49 22.31 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.842 0.857 . . . . 73.23 112.521 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 83.7 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 123.457 0.551 . . . . 74.11 113.254 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -128.07 146.25 50.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.862 0.865 . . . . 75.04 110.449 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -76.15 95.68 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.297 0.639 . . . . 72.53 110.118 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.707 HG23 HD12 ' A' ' 71' ' ' ILE . 89.8 t -106.34 127.08 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 124.014 0.926 . . . . 73.35 110.832 -175.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.462 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.3 m-85 -114.89 113.27 23.96 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.109 -1.441 . . . . 74.13 107.109 175.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.51 HD13 HD11 ' A' ' 64' ' ' LEU . 37.7 tp -101.85 134.98 44.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.317 0.579 . . . . 73.34 111.254 -172.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -119.64 113.17 20.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.155 -1.054 . . . . 75.33 108.155 170.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD12 HD13 ' A' ' 97' ' ' ILE . 94.9 mt -95.59 116.88 29.46 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.015 -1.106 . . . . 75.54 108.015 171.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -103.25 121.88 43.62 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.479 -0.934 . . . . 74.14 108.479 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 12.8 t70 -155.13 133.96 12.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.739 -1.208 . . . . 74.12 107.739 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -73.18 -18.64 61.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.251 0.62 . . . . 64.11 111.576 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.78 106.87 17.58 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.295 1.038 . . . . 74.22 108.466 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -22.16 66.17 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.372 0.878 . . . . 71.2 113.372 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -68.11 -60.49 2.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.642 0.377 . . . . 74.45 110.29 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.12 -26.52 62.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.348 0.659 . . . . 74.32 110.654 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 40.7 tp -60.87 -53.46 57.01 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.742 0.817 . . . . 74.4 111.031 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.89 -40.92 71.95 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.726 0.81 . . . . 75.33 111.053 -171.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 mt-10 -54.22 -44.39 71.63 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.562 0.745 . . . . 73.45 111.523 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -76.21 -35.23 59.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.297 0.639 . . . . 75.41 110.827 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.92 -51.14 69.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.154 1.382 . . . . 75.42 110.394 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.19 -29.36 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.981 0.912 . . . . 73.02 112.632 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 64.7 mttm -65.33 -48.56 72.63 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.252 0.621 . . . . 72.41 109.987 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 82' ' ' LEU . 70.0 mt -72.53 -31.75 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 115.048 -0.978 . . . . 74.13 111.123 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.15 -30.46 69.6 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.053 -0.976 . . . . 74.14 109.828 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.9 t -79.43 -21.92 44.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.042 0.937 . . . . 73.41 111.279 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.04 -26.84 65.19 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.269 0.628 . . . . 75.12 110.865 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.49 37.08 1.5 Allowed Glycine 0 C--N 1.348 1.195 0 CA-C-N 116.134 -0.484 . . . . 72.14 112.154 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -116.32 137.44 52.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.415 0.686 . . . . 72.32 109.577 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.28 95.82 3.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.531 -0.914 . . . . 73.31 108.531 172.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 10.5 t -112.67 125.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.377 0.671 . . . . 74.44 109.842 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -105.91 156.42 18.38 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.411 0.684 . . . . 75.21 109.563 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -96.03 156.53 16.3 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.878 -1.056 . . . . 75.22 109.263 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -164.07 142.94 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.24 0.616 . . . . 74.31 110.723 170.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.3 p -111.72 -46.42 3.25 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.958 0.903 . . . . 71.13 110.105 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.35 149.82 31.59 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.306 0.642 . . . . 71.33 111.262 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.82 -38.35 62.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.44 0.696 . . . . 73.42 111.144 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.77 -39.07 80.4 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.06 0.457 . . . . 71.54 110.022 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.6 tt0 -67.47 -35.27 78.84 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.914 -1.039 . . . . 72.54 110.007 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.523 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -56.15 -52.54 63.99 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 123.997 0.811 . . . . 71.4 110.197 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 21' ' ' GLU . 50.6 mt -59.83 -36.21 76.34 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 124.435 1.084 . . . . 74.01 110.961 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -78.31 -27.85 47.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.374 -0.83 . . . . 74.24 112.677 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -82.72 -28.47 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 109.576 -0.528 . . . . 65.21 109.576 174.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 113' ' ' ALA . 75.1 t -60.82 -49.92 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 109.489 -0.56 . . . . 74.0 109.489 171.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.92 -18.69 62.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.584 -0.735 . . . . 73.41 111.383 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -68.33 -46.64 69.66 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.389 -0.597 . . . . 73.23 109.389 169.073 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 28.0 m-85 -63.31 -35.45 80.42 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.277 0.631 . . . . 71.43 112.149 175.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.522 ' SD ' HG13 ' A' ' 22' ' ' VAL . 57.2 mtm -71.34 -31.07 66.94 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.881 0.473 . . . . 74.31 111.542 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -64.7 -39.31 93.44 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.619 0.768 . . . . 75.43 110.086 173.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 62.1 mttm -66.6 -44.55 81.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.496 0.719 . . . . 74.05 110.029 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -67.91 -34.01 75.8 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.204 -1.362 . . . . 54.25 112.456 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.1 78.77 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 123.484 0.49 . . . . 73.42 113.549 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.1 m -65.82 -31.61 72.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.626 0.77 . . . . 72.42 110.822 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.2 mt -84.0 -34.29 24.37 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.749 -1.114 . . . . 73.12 111.184 -176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 51' ' ' PHE . 54.8 mt-10 -59.25 -44.11 92.41 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.408 0.683 . . . . 71.13 110.712 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -71.68 101.92 2.66 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.765 -1.198 . . . . 73.41 107.765 169.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -66.38 84.08 0.1 Allowed 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.648 0.779 . . . . 73.41 111.7 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -174.82 113.03 0.15 Allowed 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.048 1.339 . . . . 73.41 107.592 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.93 99.18 0.47 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 107.47 -1.307 . . . . 70.44 107.47 168.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -61.94 -65.37 0.7 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.028 0.931 . . . . 65.34 111.802 -168.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 108.256 -1.016 . . . . 72.23 108.256 176.757 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.033 -0.728 . . . . 70.23 109.033 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -161.78 170.86 18.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.508 0.723 . . . . 74.12 110.057 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' A' ' 124' ' ' ALA . 65.1 mt -110.19 135.42 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 64.54 109.304 -177.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 76.8 mt -121.29 140.92 51.43 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.812 -0.81 . . . . 75.23 108.812 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mm -123.02 109.9 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 107.891 -1.151 . . . . 74.55 107.891 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.492 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -97.07 128.19 43.76 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.287 -1.375 . . . . 72.24 107.287 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.33 130.5 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-O 121.14 0.495 . . . . 74.32 109.881 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.9 114.87 18.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.729 1.212 . . . . 75.32 107.862 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -125.67 145.29 50.23 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.698 0.799 . . . . 75.25 109.381 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -81.6 -17.68 47.41 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 65.44 110.008 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' HD23 ' A' ' 14' ' ' LEU . 80.5 m-20 -102.57 117.04 33.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.051 0.94 . . . . 74.45 110.272 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.0 -25.49 63.68 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.576 1.15 . . . . 71.11 111.699 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.22 -51.41 58.41 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.208 1.003 . . . . 75.41 109.918 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -66.56 -27.84 68.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.58 -0.737 . . . . 75.05 112.474 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 59' ' ' ASN . 64.6 mt -60.45 -51.64 70.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 118.201 0.455 . . . . 71.51 110.571 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 15.7 ptpt -75.59 -32.56 60.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.748 -0.66 . . . . 73.23 111.808 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -65.54 -46.4 79.68 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.471 0.708 . . . . 73.12 110.827 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.43 -35.48 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.969 0.908 . . . . 74.31 110.201 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HZ1' HG22 ' A' ' 15' ' ' ILE . 60.6 mttp -54.34 -42.52 70.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.924 0.329 . . . . 74.32 111.749 172.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 13.8 mmmm -73.36 -38.38 65.73 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.886 0.475 . . . . 74.2 110.854 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -56.16 -53.79 52.94 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.475 0.71 . . . . 64.55 111.651 172.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.724 HG13 ' SD ' ' A' ' 121' ' ' MET . 13.0 m -81.37 -11.44 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.059 -0.973 . . . . 71.32 111.697 -171.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.42 -43.67 71.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.567 1.147 . . . . 74.41 110.552 170.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -76.85 -25.2 52.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.812 -1.085 . . . . 75.23 111.189 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -98.74 -7.03 28.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.372 0.669 . . . . 75.35 112.263 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.23 43.93 77.81 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 114.783 0.673 . . . . 72.33 114.783 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.644 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 10.2 m-85 -103.44 102.76 12.69 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.808 -0.812 . . . . 75.23 108.808 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.76 116.5 8.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.794 0.838 . . . . 73.14 110.344 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.54 130.06 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.708 0.803 . . . . 72.4 111.446 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -119.37 120.26 36.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.442 1.097 . . . . 75.11 108.617 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.96 118.92 32.61 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.914 -0.772 . . . . 51.55 108.914 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.68 118.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.303 1.041 . . . . 72.44 108.524 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -129.76 5.17 5.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.919 1.288 . . . . 74.52 110.275 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.49 137.82 47.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.303 1.041 . . . . 75.35 108.474 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 p -64.87 -26.15 68.2 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.341 0.656 . . . . 74.41 111.92 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.552 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 14.2 m-20 -66.99 -43.92 81.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.552 0.341 . . . . 71.24 110.6 173.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.57 -35.34 80.65 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.9 0.75 . . . . 75.24 110.547 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 66' ' ' GLU . 4.4 tt -56.51 -52.15 65.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.839 0.856 . . . . 75.23 110.484 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 36' ' ' ASP . 51.9 mtmt -55.49 -57.72 10.75 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.0 0.813 . . . . 73.33 110.368 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.7 mmtp -49.46 -57.49 6.89 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 124.931 1.395 . . . . 75.23 111.858 -174.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.9 mm-40 -67.89 -35.5 78.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.646 -0.706 . . . . 64.03 111.284 -171.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 67' ' ' MET . 92.1 mmm -67.21 -35.21 79.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.374 0.421 . . . . 74.31 111.706 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.2 mmtt -65.82 -40.9 92.25 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.286 -0.635 . . . . 72.14 109.286 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.35 -36.83 85.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.096 0.958 . . . . 74.41 111.321 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 HD21 HG23 ' A' ' 54' ' ' ILE . 79.4 mt -64.96 -31.56 72.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.152 0.581 . . . . 75.01 111.236 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.7 -26.31 34.75 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.351 0.661 . . . . 72.44 111.247 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.97 -18.1 60.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.445 0.698 . . . . 74.25 111.532 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.18 116.37 27.7 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.56 -0.533 . . . . 72.22 109.56 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' HZ3' ' HB2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -98.66 -3.15 36.66 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.011 0.524 . . . . 73.22 111.105 -174.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -66.17 147.75 52.86 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.492 0.717 . . . . 74.5 110.829 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.48 78.31 1.43 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.069 0.948 . . . . 75.43 109.369 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.84 141.38 48.48 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.499 0.72 . . . . 74.41 110.365 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 128' ' ' GLU . 29.1 mtmm -93.88 98.82 11.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.602 1.161 . . . . 74.24 109.544 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.501 HG23 HD21 ' A' ' 45' ' ' LEU . 50.6 mm -105.28 126.19 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.987 0.915 . . . . 65.11 109.318 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.58 127.9 48.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.691 -0.855 . . . . 73.3 108.691 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.492 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.9 mm -111.71 119.53 60.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 123.804 0.842 . . . . 72.25 108.966 175.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 15' ' ' ILE . 62.8 mt -95.47 128.86 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.868 -0.79 . . . . 75.32 108.868 171.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -140.61 122.89 15.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.737 -0.838 . . . . 75.42 108.737 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.587 HD22 HD13 ' A' ' 15' ' ' ILE . 18.8 m120 -80.03 -22.18 42.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.955 0.902 . . . . 62.23 111.269 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.47 117.37 30.76 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.488 -1.301 . . . . 74.42 107.488 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.44 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 34.9 pttt -70.79 -15.15 62.64 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.89 -0.595 . . . . 73.15 110.851 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.84 -55.64 21.4 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.53 0.732 . . . . 75.04 109.56 168.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.6 -27.31 67.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.264 -0.88 . . . . 73.42 111.019 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tt -62.08 -49.08 77.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.771 0.828 . . . . 70.04 110.03 173.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.26 -48.93 79.66 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.172 0.589 . . . . 73.12 111.404 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.6 mm-40 -56.8 -46.47 81.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.921 0.763 . . . . 73.42 110.196 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 42' ' ' MET . 40.6 tpp -55.03 -53.13 59.71 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.292 -1.322 . . . . 72.43 110.62 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.14 -42.81 99.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.979 0.912 . . . . 74.52 111.539 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.38 -32.96 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.007 0.523 . . . . 74.35 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.13 -42.64 79.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.79 0.436 . . . . 74.42 110.682 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 67' ' ' MET . 57.2 mt -66.29 -32.41 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 73.22 110.436 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.5 t -59.09 -40.5 85.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.714 0.806 . . . . 75.53 110.646 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -73.47 -28.14 61.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.151 -0.931 . . . . 74.44 111.058 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.51 -31.19 32.95 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.666 0.787 . . . . 74.42 111.573 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.15 61.23 4.06 Favored Glycine 0 C--N 1.348 1.225 0 C-N-CA 123.269 0.461 . . . . 75.12 113.423 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -121.27 149.4 42.95 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.309 0.644 . . . . 71.43 110.567 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -78.87 115.18 18.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.284 0.634 . . . . 71.52 110.298 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 43.4 t -107.35 135.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.707 0.803 . . . . 72.54 110.946 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.66 116.31 28.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.163 -1.421 . . . . 75.43 107.163 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 40.9 tp -110.61 129.16 55.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.296 1.038 . . . . 74.01 111.318 -172.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 37.3 tp -113.63 122.68 47.93 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.761 0.824 . . . . 63.42 109.728 172.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.87 117.84 34.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.982 0.913 . . . . 75.52 108.982 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -109.33 112.38 24.48 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.419 -0.586 . . . . 71.22 109.419 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.83 139.64 26.51 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.024 -0.732 . . . . 72.41 109.024 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -77.36 -20.49 54.71 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.777 0.831 . . . . 75.11 112.226 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.37 91.16 3.54 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.07 -0.715 . . . . 71.43 109.07 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 46.9 mt-10 -62.17 -11.05 12.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.166 0.986 . . . . 63.22 113.195 -176.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.31 -60.58 3.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.58 0.752 . . . . 65.45 110.597 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.17 -29.82 43.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.853 0.461 . . . . 72.22 110.579 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.609 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 26.9 tp -61.29 -36.1 79.15 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.943 0.897 . . . . 75.02 110.782 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.54 -48.23 80.4 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.032 0.533 . . . . 73.35 110.32 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.29 -50.41 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.082 -0.963 . . . . 71.04 110.992 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.8 -26.36 62.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.771 0.828 . . . . 70.33 111.171 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.77 -55.62 16.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.403 -0.591 . . . . 74.44 109.403 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -63.19 -27.83 69.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.714 0.806 . . . . 73.32 111.473 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -58.41 7.8 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.552 1.141 . . . . 74.32 110.756 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.7 mt -81.52 -23.36 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 114.355 -1.293 . . . . 73.12 111.052 -173.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.26 -30.29 64.71 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 109.024 -0.732 . . . . 73.33 109.024 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.9 t -72.35 -29.68 64.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.426 0.691 . . . . 63.53 110.06 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -76.76 4.57 9.33 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.556 0.743 . . . . 75.15 111.468 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.85 22.61 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.024 0.345 . . . . 72.21 113.74 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.504 ' HB2' HG22 ' A' ' 97' ' ' ILE . 74.6 m-85 -116.65 147.43 41.93 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.852 0.461 . . . . 75.43 110.985 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.62 93.02 2.99 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.654 -0.869 . . . . 74.52 108.654 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 t -112.03 116.92 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 109.642 -0.503 . . . . 70.24 109.642 -172.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -119.39 145.8 45.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.179 0.591 . . . . 75.43 109.768 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.467 ' HB2' HD23 ' A' ' 90' ' ' LEU . 11.1 ptmm? -111.4 143.53 42.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.364 1.066 . . . . 71.23 110.37 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -147.13 153.77 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 123.533 0.733 . . . . 73.32 109.481 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -118.76 -31.69 4.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.885 0.874 . . . . 75.11 110.722 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.99 149.36 21.58 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.522 0.729 . . . . 72.14 111.553 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.06 -38.09 72.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.068 0.947 . . . . 70.45 111.637 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.42 -44.64 82.39 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.476 -0.784 . . . . 75.02 110.085 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.447 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.9 tt0 -75.48 -34.42 60.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.464 -0.789 . . . . 60.22 110.694 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -53.23 -47.67 68.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.46 0.704 . . . . 72.34 111.157 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 72.8 mt -58.92 -44.28 91.27 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.117 0.886 . . . . 73.53 110.344 176.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -67.62 -32.7 73.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.418 0.687 . . . . 73.33 112.267 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.4 mm -74.8 -32.86 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 109.698 -0.482 . . . . 73.41 109.698 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.55 -40.66 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.632 -0.507 . . . . 73.33 109.632 169.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 32.9 mtp180 -67.4 -30.24 69.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.44 0.696 . . . . 73.2 111.246 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.26 -49.8 70.46 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.588 -0.523 . . . . 73.14 109.588 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.8 m-30 -60.3 -40.78 91.75 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.244 -0.889 . . . . 74.34 111.664 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.724 ' SD ' HG13 ' A' ' 22' ' ' VAL . 77.6 mtm -72.58 -30.42 64.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.547 0.739 . . . . 75.32 111.887 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -66.25 -47.32 74.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.746 0.818 . . . . 75.2 111.146 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -80.44 -35.69 34.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.824 -1.08 . . . . 74.51 110.672 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' A' ' 3' ' ' ILE . . . -69.33 -32.86 72.23 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.866 -0.606 . . . . 74.01 109.465 169.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.25 -35.65 88.68 Favored Glycine 0 C--N 1.349 1.272 0 O-C-N 123.595 0.56 . . . . 74.43 112.276 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -65.99 -36.08 82.33 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.521 0.728 . . . . 72.22 110.789 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.95 -32.04 59.34 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.374 0.669 . . . . 75.31 109.392 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 19.2 tp10 -66.57 -31.06 71.52 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.245 -1.343 . . . . 63.53 110.71 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -62.11 138.17 58.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.677 -0.49 . . . . 72.32 109.677 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.16 87.02 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.571 0.748 . . . . 75.24 110.269 -174.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -83.45 139.16 33.12 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.569 -1.196 . . . . 74.43 109.997 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -86.86 53.71 2.92 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.337 1.055 . . . . 74.34 111.542 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -179.9 177.29 0.68 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.242 1.817 . . . . 73.22 107.679 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 108.797 -0.816 . . . . 74.14 108.797 173.402 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 109.276 -0.638 . . . . 73.4 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -149.17 90.4 1.74 Allowed 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.363 -0.977 . . . . 74.43 108.363 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.78 131.25 40.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.373 -0.973 . . . . 65.24 108.373 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' HB2' HG23 ' A' ' 78' ' ' VAL . 20.3 mt -109.57 141.2 42.41 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.573 -1.194 . . . . 74.11 108.033 -177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.3 mm -111.78 104.86 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.063 -1.458 . . . . 73.41 107.063 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.558 HD23 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -90.82 132.24 36.0 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.638 -1.616 . . . . 75.44 106.638 -179.472 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.474 HD13 HD21 ' A' ' 55' ' ' LEU . 67.3 mt -136.28 137.44 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.446 -0.576 . . . . 70.25 109.446 -176.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 58' ' ' SER . 2.9 t-20 -132.34 115.29 15.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.101 0.96 . . . . 74.23 109.415 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 139.59 53.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.514 -0.921 . . . . 74.12 108.514 169.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.18 -17.48 56.75 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.034 0.533 . . . . 72.24 110.308 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -96.54 123.44 40.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.22 1.008 . . . . 63.24 111.014 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.512 ' HA ' HD11 ' A' ' 15' ' ' ILE . 6.5 m-20 -59.36 -30.92 68.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.99 1.316 . . . . 71.54 112.376 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.02 -55.67 31.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.264 1.026 . . . . 74.21 110.282 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.93 -24.86 66.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.152 0.581 . . . . 75.44 111.92 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' ' 12' ' ' ASP . 70.1 mt -59.84 -58.7 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.639 -0.504 . . . . 75.11 109.639 174.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HZ2' ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -70.11 -29.22 66.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.072 0.549 . . . . 73.04 111.993 -176.291 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.72 -55.92 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.509 0.724 . . . . 75.04 110.747 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.48 -33.21 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 124.182 0.926 . . . . 74.33 110.813 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.6 mttt -51.57 -44.62 62.81 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.475 0.484 . . . . 75.01 110.923 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -78.88 -44.43 22.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.509 0.723 . . . . 74.4 111.495 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -49.1 -51.45 31.68 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.536 0.735 . . . . 74.4 112.066 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG21 HG22 ' A' ' 29' ' ' VAL . 5.7 m -85.11 -19.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.165 -0.925 . . . . 61.35 111.688 -171.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.36 -46.68 83.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.288 1.035 . . . . 75.34 110.284 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -79.01 1.18 24.78 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.136 -0.938 . . . . 74.21 112.212 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.71 2.48 21.88 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.744 0.818 . . . . 75.41 111.566 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.84 15.92 69.12 Favored Glycine 0 N--CA 1.473 1.164 0 N-CA-C 114.912 0.725 . . . . 74.21 114.912 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -100.66 124.48 46.31 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.227 0.611 . . . . 74.44 109.778 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.72 107.43 6.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.101 0.961 . . . . 74.42 109.562 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG22 HG21 ' A' ' 22' ' ' VAL . 3.5 t -78.83 132.23 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.519 0.727 . . . . 73.42 110.767 -172.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -127.9 149.76 50.17 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 107.554 -1.276 . . . . 75.45 107.554 166.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.14 141.9 51.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.774 -0.825 . . . . 75.43 108.774 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 63' ' ' LEU . 55.5 t -121.95 114.8 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 72.0 108.093 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -111.78 -1.58 15.56 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.266 1.026 . . . . 72.2 111.003 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -150.41 155.69 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.7 0.286 . . . . 74.15 110.611 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 p -60.37 -28.67 68.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.334 1.054 . . . . 70.11 112.457 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 25.6 t70 -60.73 -52.04 66.8 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.513 0.508 . . . . 63.05 109.694 172.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -59.26 -37.3 77.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.435 1.085 . . . . 74.23 110.854 -177.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.7 tt -54.18 -57.43 11.18 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 114.507 -1.224 . . . . 74.33 110.344 173.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.04 -39.78 75.49 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.26 0.975 . . . . 74.44 111.594 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 29.2 mmmt -62.32 -43.72 98.16 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.955 0.784 . . . . 74.41 110.449 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 24.4 mm-40 -83.43 -21.27 32.99 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.881 0.697 . . . . 74.44 112.881 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.56 -36.02 80.15 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.893 -0.41 . . . . 71.35 109.893 170.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -57.47 -45.23 85.06 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.177 0.923 . . . . 72.42 110.068 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 38.7 mmtm -61.72 -38.76 89.09 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.829 0.705 . . . . 71.35 111.114 -175.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.39 -21.74 65.58 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.989 0.516 . . . . 75.32 112.02 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.24 -35.49 10.33 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.433 0.693 . . . . 63.53 111.409 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -81.99 -44.29 16.88 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.673 0.789 . . . . 63.24 111.12 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -71.21 97.17 1.49 Allowed 'General case' 0 C--N 1.348 0.512 0 N-CA-C 109.14 -0.689 . . . . 73.02 109.14 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -67.08 -12.89 61.2 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.562 -0.744 . . . . 63.1 110.543 174.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.94 139.82 26.47 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 125.124 1.37 . . . . 71.11 110.546 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -82.81 55.65 3.12 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.461 1.124 . . . . 74.13 108.724 173.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -89.85 121.89 32.4 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.607 -1.179 . . . . 72.41 109.677 -165.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -79.68 96.39 6.2 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 107.897 -1.149 . . . . 73.11 107.897 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -98.11 132.19 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 109.068 -0.716 . . . . 75.31 109.068 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD21 HD13 ' A' ' 7' ' ' ILE . 9.1 tt -117.39 127.46 54.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.18 -1.044 . . . . 73.44 108.18 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.563 HG22 ' SD ' ' A' ' 67' ' ' MET . 20.8 mm -111.73 128.73 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 109.275 -0.639 . . . . 74.11 109.275 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.93 127.51 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 107.772 -1.196 . . . . 72.03 107.772 169.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.2 t -131.81 135.62 46.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.152 -1.425 . . . . 61.52 107.152 174.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -88.09 -8.05 56.06 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.325 0.25 . . . . 75.21 110.789 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -112.36 125.04 53.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.924 0.89 . . . . 62.21 109.373 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.2 pttm -75.25 -27.37 59.45 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.277 0.631 . . . . 73.22 112.083 -174.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -67.82 -42.2 81.86 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 109.596 -0.52 . . . . 73.24 109.596 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 32' ' ' VAL . 90.7 mt -61.35 -43.67 98.48 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.825 0.703 . . . . 74.34 109.658 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.674 HD11 HD13 ' A' ' 80' ' ' LEU . 2.3 tt -54.69 -42.21 71.15 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.741 0.816 . . . . 73.23 112.003 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 51.7 mtpt -65.11 -54.86 23.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.084 0.554 . . . . 73.42 110.821 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -54.43 -41.63 69.58 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.967 0.792 . . . . 73.43 110.833 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.563 ' SD ' HG22 ' A' ' 56' ' ' ILE . 36.4 ttm -57.61 -51.84 67.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.431 1.492 . . . . 71.5 111.314 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.16 -22.31 61.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.574 0.75 . . . . 73.4 111.795 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 11.9 mm-40 -64.24 -52.06 60.61 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.895 -0.78 . . . . 73.24 108.895 170.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.28 -37.56 87.93 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.223 -1.353 . . . . 73.51 111.785 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.657 HG23 HG21 ' A' ' 78' ' ' VAL . 85.0 mt -70.76 -35.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.425 0.69 . . . . 74.31 110.85 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -65.49 -32.47 74.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.716 0.406 . . . . 73.1 110.602 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -71.5 -32.18 67.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.052 0.541 . . . . 75.32 110.582 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.19 -34.66 66.1 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.603 0.761 . . . . 61.2 110.419 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.44 83.12 0.43 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.384 -0.825 . . . . 70.02 112.195 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.5 148.15 50.49 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.882 0.873 . . . . 72.33 110.26 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -82.1 100.28 9.69 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.491 -1.3 . . . . 75.0 107.491 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.657 HG21 HG23 ' A' ' 71' ' ' ILE . 57.8 t -110.95 134.28 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.752 0.821 . . . . 71.12 110.747 -176.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -100.41 127.79 46.65 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.682 -1.229 . . . . 73.3 107.682 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.674 HD13 HD11 ' A' ' 64' ' ' LEU . 39.5 tp -115.0 132.37 56.62 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.309 0.644 . . . . 75.22 111.413 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 20.9 tp -113.78 126.09 54.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.071 0.548 . . . . 74.34 109.829 169.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' A' ' 90' ' ' LEU . 95.6 mt -112.06 115.0 28.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.838 0.855 . . . . 74.54 109.552 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.8 112.42 25.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.856 0.862 . . . . 75.22 108.993 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -154.8 137.39 15.15 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.104 -1.073 . . . . 74.31 108.104 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -74.71 -14.6 60.75 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.46 0.704 . . . . 75.51 112.811 -172.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -106.16 83.58 1.92 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.061 -0.718 . . . . 75.23 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 40.2 mt-10 -62.01 -22.79 65.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.731 1.212 . . . . 72.4 113.408 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -62.66 -58.1 8.68 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.189 0.596 . . . . 70.44 110.598 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.36 -29.2 62.48 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.016 0.526 . . . . 64.05 110.596 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 82' ' ' LEU . 57.6 tp -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.407 1.083 . . . . 74.42 111.668 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.36 -38.5 65.68 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.195 0.598 . . . . 73.1 110.362 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.95 -32.45 71.98 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.01 0.819 . . . . 65.0 111.216 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -80.6 -35.67 33.84 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.758 0.823 . . . . 74.41 110.455 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 28.2 ttpp -62.18 -51.29 68.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.867 0.867 . . . . 74.22 111.08 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -60.37 -23.98 64.72 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.285 0.991 . . . . 71.23 112.911 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -63.39 -56.3 17.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.625 0.77 . . . . 74.03 110.063 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.6 mt -78.39 -27.99 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 114.321 -1.309 . . . . 65.34 110.734 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.75 -33.59 72.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.335 1.054 . . . . 73.21 109.621 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 -20.99 57.62 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.762 0.825 . . . . 75.42 110.578 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.14 4.94 15.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.307 0.643 . . . . 64.23 111.338 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.71 40.72 7.57 Favored Glycine 0 C--N 1.35 1.353 0 C-N-CA 122.81 0.243 . . . . 75.03 112.774 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -120.95 134.85 55.31 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.484 0.714 . . . . 75.14 109.393 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.51 93.78 3.6 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.501 -0.925 . . . . 71.42 108.501 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.453 HG21 ' HB3' ' A' ' 80' ' ' LEU . 15.3 t -108.51 131.43 59.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.549 -0.75 . . . . 73.31 109.296 -174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -121.41 159.55 25.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.32 0.648 . . . . 75.25 110.29 172.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 48.9 mtpt -96.74 154.9 17.02 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.681 -1.145 . . . . 71.1 109.554 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -160.28 151.43 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.585 -0.734 . . . . 73.21 109.977 168.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.7 p -120.32 -39.98 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.431 1.093 . . . . 75.11 110.141 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.11 157.2 18.4 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.916 0.886 . . . . 72.32 111.933 -169.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.54 -50.18 40.23 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.867 1.267 . . . . 75.21 111.735 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 5.9 pt-20 -62.08 -43.13 99.5 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 124.254 0.971 . . . . 75.01 109.362 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 111' ' ' GLU . 8.9 tp10 -69.18 -35.57 76.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 114.475 -1.239 . . . . 74.23 110.512 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -56.81 -50.61 71.85 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.512 0.725 . . . . 64.2 110.686 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.78 -40.55 95.57 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.965 0.791 . . . . 74.41 110.26 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.26 -45.05 74.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.941 0.896 . . . . 72.42 112.552 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.28 -32.05 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.589 0.356 . . . . 75.04 110.533 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 113' ' ' ALA . 65.1 t -61.36 -45.83 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 109.536 -0.542 . . . . 73.53 109.536 172.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -67.62 -22.44 65.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.349 0.66 . . . . 74.14 111.499 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.73 -48.98 57.49 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.953 0.501 . . . . 71.22 109.893 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.421 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.5 m-85 -58.85 -43.15 90.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.92 0.888 . . . . 73.42 111.785 176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.456 ' HE1' HG11 ' A' ' 117' ' ' VAL . 71.5 mtm -73.57 -27.04 61.11 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.629 0.772 . . . . 73.41 111.809 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -68.54 -43.83 75.83 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.24 0.616 . . . . 74.24 110.262 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.75 -46.0 73.36 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.428 -0.805 . . . . 74.23 109.524 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.81 74.64 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.141 -0.936 . . . . 62.24 110.761 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.14 99.06 Favored Glycine 0 C--N 1.349 1.298 0 O-C-N 123.734 0.646 . . . . 71.54 112.583 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -67.07 -32.47 73.67 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.066 0.546 . . . . 65.2 111.33 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 70.7 mt -79.71 -50.8 10.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.715 0.806 . . . . 73.4 110.204 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -75.78 -49.65 17.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.694 0.798 . . . . 71.4 111.914 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -74.28 89.74 2.07 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.383 -1.339 . . . . 75.53 107.383 172.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -67.11 87.16 0.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.435 1.094 . . . . 73.54 109.697 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -76.3 97.81 4.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.151 -0.931 . . . . 75.03 108.579 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -52.49 133.6 35.41 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.26 -1.336 . . . . 72.41 112.379 -171.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -143.49 77.58 1.56 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.569 1.176 . . . . 63.24 110.22 176.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 106.008 -1.849 . . . . 72.15 106.008 167.697 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.259 -1.385 . . . . 55.32 107.259 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.47 126.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 123.351 0.66 . . . . 72.14 109.376 -167.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 mt -110.57 106.86 16.28 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.346 -1.353 . . . . 73.1 107.346 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.8 103.74 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.59 -1.263 . . . . 73.43 107.59 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.01 124.65 34.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.752 -1.203 . . . . 75.52 107.752 -172.078 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 55' ' ' LEU . 64.7 mt -132.19 121.54 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.33 0.652 . . . . 74.31 109.387 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.415 ' HB3' HD23 ' A' ' 82' ' ' LEU . 23.8 t-20 -109.0 117.3 33.85 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 107.585 -1.265 . . . . 62.31 107.585 170.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.2 t -124.01 147.56 47.7 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.391 0.677 . . . . 72.21 109.328 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -83.32 -17.15 43.43 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.189 0.595 . . . . 71.41 110.906 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.598 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.7 m120 -109.11 134.6 51.49 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.825 0.45 . . . . 70.54 111.176 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.22 -24.91 64.98 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.094 0.958 . . . . 65.22 110.975 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.589 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 22.9 mt-10 -57.32 -48.11 79.82 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.885 0.874 . . . . 73.11 110.016 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.4 mm? -61.41 -37.5 83.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.544 -0.753 . . . . 73.41 111.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG22 ' HE2' ' A' ' 19' ' ' LYS . 54.8 mt -56.24 -51.68 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 123.665 0.603 . . . . 73.34 110.543 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 63.1 pttt -73.11 -33.87 65.82 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.671 -0.695 . . . . 75.3 111.995 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 50.3 mtpt -66.45 -41.23 89.4 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 110.29 -0.263 . . . . 75.55 110.29 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -39.01 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.012 0.925 . . . . 75.31 110.326 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 61.6 mttm -54.9 -36.09 64.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.945 0.498 . . . . 52.23 111.204 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.6 -42.71 24.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.156 0.583 . . . . 75.5 110.659 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.78 -33.4 61.33 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.914 0.886 . . . . 63.24 112.812 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.0 m -107.66 -1.73 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.114 0.566 . . . . 73.22 111.887 -173.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.8 -42.26 97.73 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.162 0.985 . . . . 54.04 110.553 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.44 -2.25 58.28 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.271 -0.877 . . . . 62.13 111.469 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 31.5 mm-40 -102.66 -10.65 19.04 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.262 0.625 . . . . 71.32 111.987 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.77 62.07 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 114.508 0.563 . . . . 52.31 114.508 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -106.25 111.28 23.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.295 0.638 . . . . 75.31 109.453 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.16 107.79 7.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.947 0.899 . . . . 74.24 110.673 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.87 135.54 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.661 0.784 . . . . 64.51 109.945 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 56' ' ' ILE . 17.5 mmm180 -124.5 112.08 16.45 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.08 1.352 . . . . 70.01 107.748 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -94.73 116.98 29.4 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.384 -0.969 . . . . 75.12 108.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG12 HD13 ' A' ' 63' ' ' LEU . 30.0 t -115.55 114.05 45.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 108.309 -0.997 . . . . 42.44 108.309 -176.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.5 14.83 4.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.634 0.774 . . . . 74.32 110.819 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.39 142.54 27.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.267 0.627 . . . . 72.1 109.495 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.4 p -60.9 -36.62 79.73 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.517 1.127 . . . . 63.33 113.564 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.28 -45.29 92.1 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.43 0.456 . . . . 62.44 110.166 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 17.4 mm-40 -60.92 -40.49 93.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.225 0.953 . . . . 71.44 110.416 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.62 -58.58 6.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.414 1.086 . . . . 64.34 110.653 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.32 -23.12 65.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.998 0.919 . . . . 73.33 112.697 -172.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.08 -60.56 2.32 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.065 0.546 . . . . 73.41 110.451 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 8.3 pt-20 -77.51 -28.77 52.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.545 0.572 . . . . 73.21 112.545 -166.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' SD ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -69.5 -37.34 77.15 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 120.785 0.326 . . . . 74.34 110.319 -178.584 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -60.71 -33.11 72.39 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 115.923 -0.581 . . . . 63.43 110.15 172.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.4 -31.91 70.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.031 0.533 . . . . 73.24 110.931 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.51 -27.69 68.65 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 110.311 -0.255 . . . . 71.24 110.311 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 123.227 0.611 . . . . 70.11 111.493 176.763 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--O 1.241 0.647 0 N-CA-C 108.657 -0.868 . . . . 71.44 108.657 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 mm -117.08 147.38 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.535 0.683 . . . . 64.03 109.469 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -127.52 122.72 34.09 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 106.314 -1.735 . . . . 70.13 106.314 174.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 6' ' ' LEU . 27.4 mm -104.66 111.0 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.933 -0.765 . . . . 55.43 108.933 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.4 mt -94.1 124.21 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.777 -1.194 . . . . 71.52 107.777 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -139.03 116.66 11.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.061 -1.459 . . . . 70.33 107.061 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 15' ' ' ILE . 2.2 m-20 -87.24 -0.99 57.57 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.704 0.802 . . . . 72.4 110.547 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.24 109.52 21.54 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.223 -1.399 . . . . 34.03 107.223 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.79 -25.25 65.5 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.011 0.925 . . . . 72.23 111.941 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 56.5 tp60 -66.34 -44.56 82.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.7 0.4 . . . . 71.14 110.023 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -68.31 -30.82 69.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.152 0.581 . . . . 64.34 110.743 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 9.4 tt -63.88 -46.61 84.12 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.03 0.532 . . . . 72.53 110.045 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 53.0 mtpt -55.09 -54.2 46.19 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.876 0.735 . . . . 75.21 110.103 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.99 -43.88 86.82 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.796 1.31 . . . . 73.2 110.427 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 6' ' ' LEU . 59.3 tpp -56.08 -52.27 64.88 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.752 1.282 . . . . 32.13 110.436 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 71' ' ' ILE . 78.0 mt -67.77 -31.57 71.55 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.187 0.595 . . . . 74.35 112.312 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 23.2 mm-40 -64.75 -48.15 75.6 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.251 -0.648 . . . . 70.44 109.251 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HB3' ' SD ' ' A' ' 42' ' ' MET . 20.3 mt -56.43 -44.69 80.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.379 1.072 . . . . 73.24 110.552 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.649 HD12 HD23 ' A' ' 68' ' ' LEU . 86.8 mt -64.85 -40.09 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.724 0.81 . . . . 64.24 110.651 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -65.46 -33.94 77.11 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.802 0.689 . . . . 74.0 111.057 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 60.5 mmtt -70.83 -26.72 63.42 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.348 0.405 . . . . 71.13 110.433 177.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.6 mt -93.63 -20.77 19.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.162 0.985 . . . . 61.45 111.151 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.9 43.55 97.37 Favored Glycine 0 C--N 1.348 1.235 0 O-C-N 123.723 0.639 . . . . 50.11 114.066 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.589 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.1 m-30 -86.99 146.26 26.2 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 117.161 0.48 . . . . 72.23 110.192 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.53 126.29 30.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.914 -0.402 . . . . 74.42 109.914 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 71' ' ' ILE . 93.9 t -121.43 138.27 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.87 0.868 . . . . 63.31 110.551 -177.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.36 114.73 22.27 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 106.717 -1.586 . . . . 75.53 106.717 166.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 66.6 tp -104.74 129.5 52.96 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.108 0.963 . . . . 71.43 112.06 -170.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 HG21 ' A' ' 116' ' ' ILE . 52.6 tp -118.82 112.97 20.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.375 1.07 . . . . 74.13 108.8 172.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.6 mt -99.6 130.37 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.452 0.701 . . . . 74.22 109.819 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 51.3 tt0 -131.0 104.33 7.06 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.263 -1.014 . . . . 43.45 108.263 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 10.3 t70 -137.17 140.9 42.13 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.439 -1.319 . . . . 72.53 107.439 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.61 -42.89 70.36 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.4 0.437 . . . . 75.54 110.547 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.57 114.67 25.43 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.582 -0.896 . . . . 72.14 108.582 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.678 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.2 mt-10 -79.5 -6.59 57.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.137 0.791 . . . . 70.05 113.137 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -74.87 -25.74 59.18 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.755 -0.832 . . . . 75.32 108.755 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.78 -56.94 3.43 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.663 0.785 . . . . 61.51 109.522 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.678 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 31.8 tp -52.32 -52.82 50.97 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.88 1.272 . . . . 64.22 112.889 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -70.35 -47.78 59.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.363 0.665 . . . . 65.45 111.277 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 40.3 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.127 0.571 . . . . 73.35 111.534 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 31.4 t80 -67.32 -40.98 86.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.879 0.872 . . . . 73.44 110.013 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 106' ' ' LYS . 28.0 tttm -57.13 -54.46 46.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.02 1.328 . . . . 72.33 111.298 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 11.2 ptm180 -71.17 -22.19 62.07 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.298 0.999 . . . . 72.12 111.73 -167.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 97.0 mttt -61.97 -46.51 88.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.477 0.656 . . . . 75.43 110.383 171.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.8 mt -83.7 -28.03 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.943 1.297 . . . . 74.43 110.741 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 41.5 tt0 -74.82 -33.74 62.23 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 64.15 109.784 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -65.47 -20.49 66.37 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.219 0.608 . . . . 73.43 110.935 174.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -87.83 1.68 53.34 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.002 0.921 . . . . 71.44 111.267 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.72 6.32 83.05 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-O 119.45 -0.639 . . . . 60.23 114.349 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.31 143.71 50.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 117.104 0.452 . . . . 73.44 109.952 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.56 94.82 0.79 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.764 -0.828 . . . . 71.23 108.764 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.5 t -111.17 125.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.104 0.562 . . . . 73.01 109.549 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -119.49 143.58 47.47 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.835 0.854 . . . . 60.04 109.497 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 50.8 mtmt -96.52 153.26 17.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.754 -0.832 . . . . 74.04 108.754 170.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.52 148.28 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.675 0.609 . . . . 74.25 110.203 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 p -129.3 -11.66 4.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.502 1.121 . . . . 65.32 110.18 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 112' ' ' GLU . 19.9 m-20 -89.92 134.79 34.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.751 0.82 . . . . 54.44 109.468 174.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 6.2 p-10 -73.4 -40.98 63.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.628 0.371 . . . . 74.44 111.46 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 39.7 mt-10 -72.83 -41.0 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.365 0.666 . . . . 62.12 109.794 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . 13.7 tp10 -65.35 -38.14 89.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.992 0.807 . . . . 74.32 110.565 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.77 -47.65 67.36 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.633 0.773 . . . . 72.03 110.826 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.48 HD11 ' HE2' ' A' ' 17' ' ' LYS . 67.0 mt -60.59 -34.42 74.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 124.429 1.081 . . . . 71.5 111.265 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 10.7 mmpt? -76.04 -35.33 59.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.262 0.625 . . . . 73.1 110.689 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 81' ' ' LEU . 24.2 mm -65.06 -35.72 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.071 0.549 . . . . 63.31 109.691 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 113' ' ' ALA . 44.8 t -62.72 -37.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 115.799 -0.637 . . . . 45.21 109.946 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -65.44 -35.12 79.98 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.091 0.556 . . . . 74.33 111.464 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.98 -53.99 52.13 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.278 -0.638 . . . . 65.32 109.278 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.4 m-30 -56.4 -44.88 80.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 114.55 -1.205 . . . . 74.21 112.507 -175.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.761 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.2 mtm -69.37 -36.11 76.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.45 0.7 . . . . 73.22 112.457 -178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.41 -35.18 58.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.852 0.461 . . . . 75.25 111.093 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.13 -40.46 52.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.502 0.721 . . . . 73.33 109.991 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.18 76.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.612 0.765 . . . . 74.34 110.313 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.157 0 CA-C-N 115.825 -0.625 . . . . 61.1 112.401 176.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.391 -0.596 . . . . 53.31 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -98.46 114.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.936 -1.135 . . . . 64.53 107.936 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' ' 78' ' ' VAL . 52.8 mt -113.88 111.07 21.12 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.73 -0.47 . . . . 63.12 109.73 -169.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.2 mm -83.76 102.09 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 106.799 -1.556 . . . . 72.43 106.799 171.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.44 127.04 35.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.769 -1.567 . . . . 65.44 106.769 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.454 HD12 HD21 ' A' ' 55' ' ' LEU . 86.8 mt -133.54 117.75 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.243 -1.021 . . . . 75.13 108.243 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.699 ' HB2' HD13 ' A' ' 64' ' ' LEU . 4.4 t30 -106.72 109.46 21.37 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 108.037 -1.097 . . . . 45.53 108.037 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 15' ' ' ILE . 2.1 t -128.83 130.46 46.97 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.578 -0.897 . . . . 53.15 108.578 169.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -87.65 -12.29 45.93 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.358 -0.608 . . . . 71.12 109.358 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.61 117.36 29.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.3 1.04 . . . . 71.11 109.874 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.36 -34.29 73.65 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.517 1.127 . . . . 62.44 112.17 -176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -58.12 -49.89 75.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.813 0.845 . . . . 74.21 110.03 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.2 mm? -71.96 -27.34 62.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.822 -0.626 . . . . 74.35 111.808 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 66.1 mt -58.54 -61.8 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.056 -0.72 . . . . 70.14 109.056 172.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 21.9 ptmt -63.11 -34.64 78.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.954 0.724 . . . . 72.32 112.954 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.69 -52.19 53.44 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.294 0.638 . . . . 51.23 111.237 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' A' ' 113' ' ' ALA . 78.0 mt -61.54 -34.96 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 115.533 -0.758 . . . . 71.31 110.751 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 49.3 mtmt -60.7 -37.33 81.32 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.491 0.316 . . . . 63.15 111.276 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -71.55 -44.09 65.19 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.763 0.425 . . . . 61.12 110.776 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -48.65 -45.2 38.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.588 0.755 . . . . 73.44 112.36 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.643 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 8.1 m -90.36 -18.03 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 115.406 -0.815 . . . . 72.4 112.356 -174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.72 -46.94 85.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.798 0.839 . . . . 75.53 110.546 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.09 -11.51 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.149 -0.932 . . . . 73.1 111.762 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -99.77 5.51 45.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.565 0.746 . . . . 62.14 110.819 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.91 33.07 78.67 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.168 0.827 . . . . 71.31 115.168 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.643 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 24.7 m-85 -94.93 114.02 25.81 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.357 0.663 . . . . 75.24 109.765 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -68.95 107.34 3.07 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.928 -1.033 . . . . 72.23 109.013 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.17 117.27 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.571 -0.741 . . . . 72.14 109.91 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' HD13 ' A' ' 56' ' ' ILE . 25.8 mmm180 -116.69 109.14 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.523 -1.658 . . . . 72.31 106.523 173.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.21 141.96 33.34 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.25 -0.648 . . . . 73.11 109.25 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 63' ' ' LEU . 67.4 t -128.84 115.93 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.121 0.969 . . . . 64.04 108.647 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -118.57 -1.47 11.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.959 0.903 . . . . 74.44 110.357 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.87 149.19 36.56 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.501 0.721 . . . . 60.43 109.751 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -59.95 -34.69 73.6 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.924 0.89 . . . . 75.44 112.791 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.7 t70 -63.94 -44.74 91.93 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.519 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.93 -37.45 79.53 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 124.039 0.837 . . . . 73.44 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.1 tt -58.55 -51.87 68.04 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.447 -1.251 . . . . 74.45 110.861 174.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.57 -24.57 63.71 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.437 0.695 . . . . 71.41 111.786 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 32.4 mmmt -65.21 -45.87 83.0 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 108.462 -0.94 . . . . 73.51 108.462 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 44.0 mm-40 -72.1 -30.71 65.35 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 115.513 -0.767 . . . . 64.11 112.876 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.497 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.9 mmt -61.18 -35.99 78.63 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 118.62 0.645 . . . . 62.34 110.687 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -62.12 -51.8 66.46 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.978 -1.01 . . . . 72.01 110.25 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -62.33 -33.61 75.03 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.692 1.197 . . . . 62.44 112.612 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 81.0 mt -67.15 -48.64 67.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.129 0.572 . . . . 42.4 110.422 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.902 0 CA-C-N 115.578 -0.737 . . . . 72.43 111.802 -178.12 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 27' ' ' TYR . 12.9 mptt . . . . . 0 C--O 1.24 0.577 0 N-CA-C 109.034 -0.728 . . . . 73.11 109.034 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.69 115.29 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.372 -0.973 . . . . 63.3 108.372 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 7' ' ' ILE . 6.5 tt -108.08 121.95 45.87 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.382 -1.34 . . . . 73.42 107.382 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.0 mm -105.11 111.43 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.55 -0.907 . . . . 75.54 108.55 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.0 mt -88.22 139.13 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.593 -0.891 . . . . 73.41 108.593 169.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 34.9 t -133.14 131.9 41.0 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.599 -1.26 . . . . 74.22 107.599 171.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.04 -27.6 24.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.253 0.549 . . . . 74.22 110.19 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.58 130.98 55.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.289 1.036 . . . . 70.33 110.067 -173.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -75.05 -19.72 59.88 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.568 0.747 . . . . 72.02 112.621 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 55.4 tp60 -77.18 -37.35 53.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.139 -0.689 . . . . 71.22 109.139 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 32' ' ' VAL . 56.4 mt -62.01 -38.81 90.06 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 109.5 -0.555 . . . . 55.04 109.5 171.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 8' ' ' ASN . 3.4 tp -58.96 -43.38 91.29 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.165 -0.47 . . . . 72.13 111.182 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -57.19 -57.5 12.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.865 0.466 . . . . 72.44 110.627 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 38' ' ' LEU . 4.7 mm-40 -55.28 -45.14 76.18 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 124.186 0.929 . . . . 65.41 109.808 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.473 ' O ' HG13 ' A' ' 71' ' ' ILE . 37.2 tpp -51.3 -63.91 0.98 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.14 1.376 . . . . 55.21 110.573 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.23 -32.09 72.89 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.468 1.107 . . . . 54.41 112.927 -170.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.81 -34.16 57.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.769 0.428 . . . . 73.42 110.105 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.497 HD13 ' HG3' ' A' ' 42' ' ' MET . 59.1 mt -72.97 -28.76 62.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.125 0.57 . . . . 71.04 110.675 171.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 67' ' ' MET . 84.1 mt -77.89 -24.91 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.102 0.561 . . . . 73.02 110.318 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.9 t -63.14 -43.6 97.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.357 0.663 . . . . 75.11 110.693 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -19.29 59.14 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.356 -0.384 . . . . 65.22 111.336 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 71' ' ' ILE . 76.6 mt -78.52 -28.73 46.27 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.459 0.704 . . . . 72.25 110.669 172.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.83 58.84 7.72 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 123.483 0.563 . . . . 62.15 113.817 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.493 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 21.7 m-85 -107.25 161.23 14.97 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.178 0.591 . . . . 73.33 111.902 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -89.6 96.24 10.61 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.006 -0.997 . . . . 73.12 108.654 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 4' ' ' LEU . 67.1 t -105.37 127.74 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.572 0.749 . . . . 75.44 111.27 -174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.26 113.77 27.53 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 107.163 -1.421 . . . . 71.15 107.163 171.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 6' ' ' LEU . 42.2 tp -104.22 136.43 43.84 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.138 0.575 . . . . 44.3 111.594 -173.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -118.37 113.26 21.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.52 1.128 . . . . 72.13 108.597 170.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 97' ' ' ILE . 39.5 mt -98.31 119.99 37.94 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.383 0.673 . . . . 73.53 110.698 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -114.84 136.71 52.79 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.217 1.007 . . . . 61.04 108.655 171.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 90' ' ' LEU . 3.1 t70 -142.11 178.45 7.54 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.193 -1.04 . . . . 73.33 108.193 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -96.48 -37.31 10.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.609 0.764 . . . . 75.2 109.508 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -109.38 135.02 51.11 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.863 0.865 . . . . 74.33 110.673 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.99 -36.07 69.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.106 0.963 . . . . 70.03 111.822 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 5.8 m-20 -59.79 -51.8 68.2 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.787 0.68 . . . . 51.31 110.913 -173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.83 -32.49 52.21 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.808 0.693 . . . . 72.4 110.982 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 84' ' ' ASP . 26.1 tp -56.47 -48.12 77.77 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.568 0.747 . . . . 72.14 110.414 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 13.4 tp10 -67.98 -51.91 41.96 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.151 0.98 . . . . 72.14 110.471 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 3.3 tm-20 -47.51 -45.3 26.39 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.976 1.71 . . . . 65.01 111.151 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.74 -35.67 44.36 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.888 -1.505 . . . . 75.21 112.026 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.37 -40.41 97.18 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.06 0.944 . . . . 74.12 111.04 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 74.2 mtp180 -60.26 -34.36 73.6 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.239 1.016 . . . . 73.21 111.494 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.63 -47.77 74.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.086 0.955 . . . . 75.22 110.814 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 82' ' ' LEU . 49.5 mt -76.58 -30.77 19.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 114.868 -1.06 . . . . 52.13 111.007 -174.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.43 -35.26 80.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.61 -0.723 . . . . 73.43 109.962 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -71.69 -20.89 61.86 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.588 0.755 . . . . 73.33 111.118 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -75.91 -6.28 50.12 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.395 0.678 . . . . 75.21 111.23 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.27 5.05 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.919 0.295 . . . . 70.42 112.402 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -119.58 141.26 49.42 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.465 0.706 . . . . 75.42 109.388 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.65 91.26 1.86 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.733 -1.21 . . . . 74.44 107.733 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.85 123.54 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.313 -0.625 . . . . 50.44 109.313 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -117.5 148.98 41.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 71.41 108.866 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HE3' ' HG ' ' A' ' 90' ' ' LEU . 51.6 mtpt -97.0 157.34 15.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.701 0.8 . . . . 72.53 110.105 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -159.79 144.68 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.618 0.767 . . . . 63.44 110.358 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.5 p -137.56 -12.09 1.57 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.684 0.794 . . . . 73.02 110.89 166.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -93.42 144.29 25.48 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.302 0.573 . . . . 70.15 112.245 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.61 ' HA ' HD11 ' A' ' 14' ' ' LEU . 19.6 t70 -58.69 -58.07 10.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.178 1.391 . . . . 70.44 113.059 -175.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.99 -36.14 83.44 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.531 0.732 . . . . 43.42 111.344 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.6 tt0 -62.74 -42.85 99.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.541 1.136 . . . . 73.31 110.821 -174.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 18' ' ' ILE . . . -53.79 -44.81 70.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.752 0.821 . . . . 74.44 111.425 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 25.3 mt -62.1 -46.96 86.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.275 0.984 . . . . 71.54 109.74 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 99.5 mttt -61.17 -43.19 99.28 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.382 1.073 . . . . 61.24 112.602 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 112' ' ' GLU . 16.5 mm -65.33 -40.11 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 121.28 0.562 . . . . 73.01 109.823 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.5 t -65.98 -36.1 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 114.999 -1.001 . . . . 65.42 110.808 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 96.8 mtt180 -60.34 -36.66 78.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.254 0.621 . . . . 74.31 110.817 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 31.4 mt-10 -67.06 -47.02 72.57 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 115.877 -0.601 . . . . 51.03 110.928 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 5' ' ' ILE . 14.4 m-30 -60.21 -41.62 93.39 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.52 0.728 . . . . 74.13 111.962 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.56 ' SD ' HG12 ' A' ' 22' ' ' VAL . 79.4 mtm -65.03 -38.72 91.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.59 0.756 . . . . 73.53 111.246 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -66.18 -39.23 89.56 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.635 0.774 . . . . 74.3 111.533 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 60.8 mttp -75.15 -46.33 35.0 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.706 0.803 . . . . 73.21 111.245 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.14 91.91 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.52 1.128 . . . . 72.03 112.42 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.182 0 O-C-N 123.983 0.802 . . . . 50.31 114.05 -177.417 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.832 0.825 . . . . 41.1 109.654 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 mt -106.24 141.32 21.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 124.756 1.223 . . . . 61.13 108.099 171.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -109.47 107.29 17.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.019 -1.104 . . . . 75.13 108.019 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.1 mm -83.37 106.15 13.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.836 -1.542 . . . . 75.41 106.836 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.29 124.15 36.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.955 -1.498 . . . . 73.12 106.955 -176.704 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.67 120.59 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 108.636 -0.875 . . . . 70.34 108.636 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.1 t30 -120.14 112.8 19.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 107.453 -1.314 . . . . 73.23 107.453 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -118.63 146.64 44.49 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.486 0.714 . . . . 63.44 109.987 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -84.53 -29.71 25.72 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.984 0.914 . . . . 70.4 109.024 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' HD23 ' A' ' 14' ' ' LEU . 72.9 m-20 -101.02 120.12 39.73 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.739 0.816 . . . . 72.45 110.768 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.14 -40.28 89.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.674 1.361 . . . . 41.33 114.674 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.88 -25.79 67.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.315 0.246 . . . . 71.04 111.279 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HG ' ' OE1' ' A' ' 83' ' ' GLN . 4.1 mm? -66.28 -32.96 74.69 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 122.769 0.428 . . . . 74.41 111.586 178.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.0 mt -57.8 -61.57 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 109.365 -0.606 . . . . 74.51 109.365 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.68 -31.49 71.63 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.922 0.764 . . . . 62.11 112.343 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.1 mtpp -72.63 -51.46 19.49 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.169 0.588 . . . . 74.14 111.712 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.68 -31.92 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.766 0.826 . . . . 74.11 111.127 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HD2' HG11 ' A' ' 29' ' ' VAL . 28.6 mmmt -44.83 -49.65 10.7 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.718 1.207 . . . . 74.43 111.006 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.19 -40.82 19.18 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.295 -0.866 . . . . 71.41 111.289 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -47.25 -39.7 14.9 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 123.653 0.781 . . . . 74.13 112.227 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 55' ' ' LEU . 6.9 m -102.65 -22.61 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.422 -0.808 . . . . 64.23 112.819 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.67 -47.97 80.81 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.481 0.712 . . . . 75.12 110.598 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -71.46 -16.32 62.36 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.919 -1.037 . . . . 71.31 111.985 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.49 4.23 51.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.535 0.734 . . . . 73.24 111.906 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.27 67.03 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.607 -0.269 . . . . 73.05 113.679 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.9 110.72 23.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.226 -1.027 . . . . 75.44 108.226 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.13 106.25 1.93 Allowed 'General case' 0 C--N 1.35 0.615 0 O-C-N 123.767 0.667 . . . . 64.53 109.551 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG11 ' HD2' ' A' ' 19' ' ' LYS . 2.4 t -78.53 125.45 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 121.16 0.505 . . . . 65.11 109.926 -173.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HB2' HD13 ' A' ' 56' ' ' ILE . 21.0 mmm180 -126.41 152.83 45.82 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 125.853 1.661 . . . . 70.24 107.421 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.83 143.07 40.81 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.367 -0.605 . . . . 41.24 109.367 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.84 118.19 48.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 124.337 1.055 . . . . 45.23 108.581 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -127.8 21.02 6.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.695 0.798 . . . . 73.44 109.807 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -150.75 139.76 21.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.811 0.844 . . . . 73.31 110.174 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -68.37 -36.85 79.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.895 0.878 . . . . 74.35 113.249 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.95 -34.22 77.48 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.686 0.394 . . . . 61.51 110.298 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mm-40 -65.02 -46.82 79.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.396 -0.82 . . . . 73.21 110.559 172.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.84 -44.05 69.99 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.458 1.103 . . . . 75.14 111.805 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -64.33 -39.97 94.95 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.135 -0.939 . . . . 74.24 110.688 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -76.11 -22.83 55.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.302 0.641 . . . . 73.04 112.218 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 14.7 mm-40 -61.04 -53.33 58.45 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.786 -0.82 . . . . 62.44 108.786 168.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.51 ' HG3' HD13 ' A' ' 70' ' ' LEU . 24.4 mmt -61.08 -25.06 66.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.886 -1.052 . . . . 71.11 112.735 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -59.0 -55.86 29.71 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 123.751 0.657 . . . . 54.25 109.438 170.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -73.92 -32.53 63.58 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.888 0.875 . . . . 64.23 111.871 -172.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.5 mt -66.29 -29.82 70.11 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.692 0.797 . . . . 71.13 110.565 177.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.061 0 C-N-CA 123.517 0.727 . . . . 64.24 111.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.709 0 CA-C-O 121.149 0.5 . . . . 75.35 111.164 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.0 mm -111.52 148.06 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 108.468 -0.938 . . . . 62.42 108.468 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -118.65 125.57 50.03 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 107.758 -1.201 . . . . 62.3 107.758 174.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' HD22 ' A' ' 6' ' ' LEU . 26.0 mm -110.98 114.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 109.39 -0.596 . . . . 72.34 109.39 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.93 124.99 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.435 -0.95 . . . . 61.44 108.435 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 45.3 t -124.95 146.31 49.43 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.874 -1.158 . . . . 55.01 107.874 172.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' OD1' HD11 ' A' ' 15' ' ' ILE . 39.9 m-80 -109.26 -0.23 19.28 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.909 0.483 . . . . 74.33 110.827 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.96 133.39 53.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.613 0.765 . . . . 41.51 109.873 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -73.91 -26.84 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.782 0.833 . . . . 71.15 112.389 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -73.2 -39.75 65.3 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 110.038 -0.356 . . . . 71.22 110.038 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.0 -43.74 98.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.105 0.562 . . . . 65.25 109.669 171.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -58.77 -45.07 90.63 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.402 -0.817 . . . . 54.51 111.219 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -59.06 -59.29 5.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 63.51 110.959 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.042 0.839 . . . . 72.41 111.103 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 71' ' ' ILE . 35.4 tpp -53.08 -63.62 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.551 1.157 . . . . 54.43 110.275 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 78' ' ' VAL . 59.8 mt -64.7 -34.2 77.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.595 0.758 . . . . 75.53 112.538 -171.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.48 -37.67 80.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.28 0.632 . . . . 62.12 111.102 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD13 ' HG3' ' A' ' 42' ' ' MET . 84.9 mt -71.61 -35.26 70.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.938 0.495 . . . . 61.23 110.999 175.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 67' ' ' MET . 77.7 mt -65.56 -34.38 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.421 0.689 . . . . 72.41 110.209 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.1 m -65.06 -32.02 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.688 -0.687 . . . . 60.03 110.783 174.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -78.62 -26.02 45.23 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.338 0.655 . . . . 62.05 110.784 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 46' ' ' ALA . 88.0 mt -79.02 -24.4 43.69 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 63.41 110.552 175.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.05 37.02 13.34 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 116.055 -0.521 . . . . 63.04 113.077 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -113.6 159.69 19.35 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.19 0.596 . . . . 72.33 110.204 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -102.61 136.59 42.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.532 -0.914 . . . . 62.21 108.532 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 68' ' ' LEU . 52.5 t -109.7 140.79 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.484 1.114 . . . . 74.11 110.71 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.29 115.08 28.72 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.537 -1.653 . . . . 72.12 106.537 165.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 6' ' ' LEU . 47.2 tp -109.68 124.45 51.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.131 0.572 . . . . 74.2 110.588 -170.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -108.33 113.36 26.38 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.649 -0.871 . . . . 73.45 108.649 170.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.61 114.0 27.65 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.554 -0.906 . . . . 61.04 108.554 172.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' HG3' HG13 ' A' ' 107' ' ' VAL . 48.7 tt0 -110.02 117.62 34.25 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.775 -0.824 . . . . 71.1 108.775 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -138.66 168.44 19.78 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.414 -0.587 . . . . 70.35 109.414 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -90.86 -13.17 34.22 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.361 0.664 . . . . 64.15 111.526 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.63 121.1 37.59 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.689 0.796 . . . . 62.45 109.123 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.03 -23.33 44.39 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.967 0.907 . . . . 61.11 113.374 -176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -71.29 -49.27 44.6 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.537 0.608 . . . . 73.32 109.962 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.74 -33.66 75.31 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.876 -0.602 . . . . 41.24 109.977 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.59 -44.67 95.74 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.429 -1.26 . . . . 72.32 110.997 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -68.4 -49.69 58.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.885 0.874 . . . . 51.41 111.079 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 47.5 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.574 0.75 . . . . 72.22 112.104 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.42 -35.79 73.62 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.328 0.392 . . . . 64.21 110.527 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.99 -52.9 63.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.409 0.684 . . . . 70.24 111.603 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -66.09 -22.7 66.42 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.86 0.725 . . . . 72.32 112.513 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.3 mttm -63.33 -44.94 93.45 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.831 0.824 . . . . 64.03 110.703 171.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 60.8 mt -83.65 -26.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 114.422 -1.263 . . . . 74.21 111.289 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.64 -24.18 67.5 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.11 1.364 . . . . 72.21 110.87 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -67.32 -19.18 65.42 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.51 1.124 . . . . 64.21 112.365 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -83.99 1.17 45.0 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.548 0.739 . . . . 71.12 112.276 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.83 31.79 55.1 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-O 121.18 0.322 . . . . 71.11 112.922 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -109.26 129.24 55.51 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.627 0.771 . . . . 64.42 108.929 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.17 97.07 0.5 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 109.557 -0.534 . . . . 65.33 109.557 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 80' ' ' LEU . 21.5 t -100.1 135.92 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.474 -0.935 . . . . 73.25 108.474 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.3 tpt180 -118.95 151.49 38.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.209 0.604 . . . . 74.25 110.707 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.35 140.88 31.15 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.15 0.98 . . . . 65.44 108.843 168.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.425 HG13 ' HG3' ' A' ' 83' ' ' GLN . 14.0 p -156.27 142.56 10.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 O-C-N 123.498 0.499 . . . . 74.43 110.04 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.9 p -122.73 -29.36 4.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.663 1.185 . . . . 64.13 109.88 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.15 129.08 34.08 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 74.41 109.258 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -67.74 -43.16 80.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.587 0.755 . . . . 74.1 111.016 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.32 -38.24 87.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.956 -0.565 . . . . 64.23 110.55 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.1 tp10 -68.66 -37.94 80.04 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.523 -0.762 . . . . 73.22 109.838 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -54.84 -45.98 74.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.854 0.862 . . . . 64.42 112.11 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 17' ' ' LYS . 62.5 mt -55.73 -45.33 77.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.992 0.917 . . . . 64.24 110.833 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.71 -43.99 97.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.603 -1.181 . . . . 54.34 111.165 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 105' ' ' ARG . 33.4 mm -66.51 -37.24 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.902 0.481 . . . . 61.23 111.024 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 113' ' ' ALA . 81.5 t -58.3 -44.14 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.125 0.57 . . . . 71.41 110.389 175.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.51 -24.92 64.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.831 -1.077 . . . . 63.51 111.245 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.61 -48.51 54.72 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.494 0.318 . . . . 73.45 110.168 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -57.05 -39.1 74.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.751 0.82 . . . . 64.13 112.4 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -67.02 -41.28 86.91 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.909 0.755 . . . . 75.13 111.322 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.13 -41.36 97.24 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.203 0.601 . . . . 73.2 110.856 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.82 -39.57 56.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.09 0.956 . . . . 62.42 111.024 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.34 -38.78 43.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.853 0.861 . . . . 72.54 111.945 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.456 0 O-C-N 124.488 1.118 . . . . 71.01 115.178 -175.392 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.858 0.361 . . . . 64.0 110.394 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.89 128.84 75.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 123.974 0.91 . . . . 72.23 108.637 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 68.2 mt -116.9 136.84 52.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.207 -1.034 . . . . 45.33 108.207 174.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' HB ' HD12 ' A' ' 55' ' ' LEU . 21.9 mm -104.97 110.92 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.562 -1.273 . . . . 74.4 107.562 173.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.671 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -94.33 127.39 40.17 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.309 -1.367 . . . . 74.21 107.309 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -131.19 118.91 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.402 -0.592 . . . . 72.23 109.402 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HD23 ' A' ' 82' ' ' LEU . 21.4 t-20 -111.18 118.5 36.13 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.749 -1.204 . . . . 61.54 107.749 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -125.66 145.8 50.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.557 -0.905 . . . . 74.34 108.557 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.62 -28.35 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.385 0.428 . . . . 72.25 110.399 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 38.4 t-20 -102.7 135.87 43.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.856 0.863 . . . . 54.13 110.799 -166.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.04 -30.33 71.3 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.147 0.979 . . . . 74.3 111.883 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.95 -51.09 70.55 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.759 0.662 . . . . 70.34 109.979 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.0 mm? -64.78 -35.61 81.65 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.474 -0.785 . . . . 73.01 111.264 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.4 mt -56.12 -63.44 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 109.593 -0.521 . . . . 65.22 109.593 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -65.05 -31.31 72.47 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.451 0.7 . . . . 61.35 112.881 -172.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -69.77 -49.21 55.16 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.921 0.489 . . . . 74.04 110.91 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.78 -33.98 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.344 0.658 . . . . 70.44 110.764 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.9 mtpt -58.36 -38.48 77.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.184 0.593 . . . . 65.33 110.823 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.16 -42.5 55.89 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.895 0.478 . . . . 70.1 110.852 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -50.2 -37.38 34.94 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.973 0.909 . . . . 75.11 112.474 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 29' ' ' VAL . 10.3 m -102.35 -17.93 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.116 0.566 . . . . 73.01 112.345 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.8 -50.23 74.62 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.061 0.945 . . . . 44.24 109.97 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.95 6.42 13.38 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.699 -1.137 . . . . 74.43 111.81 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -113.81 13.18 18.41 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.198 0.999 . . . . 71.53 111.67 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.22 72.72 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.636 0.615 . . . . 53.21 114.636 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -98.34 115.6 28.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.382 -0.97 . . . . 74.51 108.382 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.98 103.77 0.63 Allowed 'General case' 0 C--O 1.243 0.755 0 O-C-N 123.987 0.804 . . . . 60.14 109.474 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 22' ' ' VAL . 3.0 t -76.89 119.21 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.286 -0.87 . . . . 64.5 110.396 -170.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -128.53 144.44 51.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.815 1.246 . . . . 74.34 108.14 176.272 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -141.95 138.17 31.76 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.877 -0.786 . . . . 65.14 108.877 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 63' ' ' LEU . 53.2 t -98.73 115.89 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 114.792 -1.095 . . . . 62.02 108.762 -173.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.34 -38.59 30.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.207 0.603 . . . . 74.24 111.594 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.31 165.03 29.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.857 0.863 . . . . 70.22 110.902 -163.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 38.0 t -53.41 -40.03 64.77 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.547 1.139 . . . . 74.22 112.697 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 23.5 m-20 -66.84 -40.07 87.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.172 -0.442 . . . . 74.35 110.83 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' HG13 ' A' ' 32' ' ' VAL . 36.9 mm-40 -58.94 -39.63 82.19 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.309 0.644 . . . . 71.55 110.083 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.7 tp -56.15 -61.3 2.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.234 1.014 . . . . 72.45 110.209 174.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.33 -28.32 69.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.174 -0.921 . . . . 71.01 111.697 -171.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 74.3 mmtt -70.39 -53.24 17.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.248 0.619 . . . . 72.24 110.424 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.57 -31.18 63.48 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.994 0.738 . . . . 65.44 112.994 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.625 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 89.1 mmm -66.73 -30.04 70.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.614 0.366 . . . . 70.42 111.463 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -63.65 -41.73 98.19 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.228 0.611 . . . . 34.33 110.741 171.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -34.79 78.67 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.654 0.596 . . . . 74.43 110.782 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.56 -40.77 84.93 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.587 -0.733 . . . . 74.14 110.213 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.084 0 C-N-CA 123.296 0.638 . . . . 72.3 112.546 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.237 0.43 0 N-CA-C 109.302 -0.629 . . . . 75.24 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.17 113.63 40.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 75.11 107.133 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 22' ' ' VAL . 5.0 tt -91.21 127.6 36.71 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.086 -1.079 . . . . 71.34 108.086 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.702 HG21 ' SD ' ' A' ' 67' ' ' MET . 21.9 mm -111.22 133.07 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.345 -0.613 . . . . 71.03 109.345 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.24 123.7 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.904 -1.147 . . . . 71.44 107.904 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.0 t -121.31 116.46 24.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.511 -1.292 . . . . 72.51 107.511 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -77.3 -19.22 56.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.14 0.976 . . . . 73.21 110.886 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.43 140.39 36.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.712 1.205 . . . . 75.14 109.408 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.08 -35.62 69.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.431 0.692 . . . . 62.01 112.317 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 57.4 tp60 -75.42 -40.61 57.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.505 0.322 . . . . 53.44 110.479 -173.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD13 HG12 ' A' ' 32' ' ' VAL . 96.7 mt -60.78 -36.9 80.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.073 0.549 . . . . 42.23 110.474 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 7.7 tt -61.1 -49.21 78.22 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.204 0.94 . . . . 53.33 110.562 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -55.66 -57.39 12.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.969 0.793 . . . . 71.13 110.803 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 21.1 mm-40 -52.96 -47.2 68.33 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.661 1.225 . . . . 74.15 110.682 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 56' ' ' ILE . 31.6 ttm -57.23 -53.9 52.89 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.63 1.206 . . . . 65.5 111.515 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 71' ' ' ILE . 97.1 mt -67.07 -28.5 68.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.124 0.57 . . . . 65.54 112.19 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.81 -32.03 61.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.173 0.589 . . . . 75.51 111.118 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.98 -37.67 72.73 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.162 0.585 . . . . 75.31 110.042 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 68' ' ' LEU . 85.8 mt -70.31 -30.28 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.769 0.828 . . . . 54.24 110.809 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -60.16 -35.76 76.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.181 0.592 . . . . 61.32 110.302 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -71.69 -36.05 70.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.605 0.762 . . . . 74.35 110.983 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.69 -25.62 59.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.704 0.802 . . . . 72.5 111.554 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.89 30.51 59.35 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 115.973 -0.558 . . . . 70.21 114.075 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -90.57 136.15 33.25 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.513 -0.551 . . . . 64.15 109.513 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -79.69 114.07 18.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.235 -1.024 . . . . 74.13 108.235 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.3 t -101.67 140.73 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.992 -0.549 . . . . 44.45 111.386 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -108.6 116.39 31.88 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.734 -1.58 . . . . 71.12 106.734 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 104' ' ' VAL . 60.2 tp -104.59 128.91 52.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.235 0.614 . . . . 71.33 110.446 -173.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 tp -112.7 117.12 31.35 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.032 -0.729 . . . . 60.52 109.032 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.4 mt -104.88 118.36 36.36 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.136 -0.69 . . . . 43.42 109.136 173.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -109.48 112.59 24.79 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.074 -1.454 . . . . 53.21 107.074 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 10.1 m-20 -128.16 174.9 8.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.152 -0.931 . . . . 72.21 109.276 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.945 -0.57 . . . . 63.31 109.897 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.09 127.42 53.18 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.145 -0.687 . . . . 75.52 109.145 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -76.98 -24.89 52.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.978 0.733 . . . . 62.4 112.978 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.85 -43.45 71.89 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 110.01 -0.367 . . . . 73.2 110.01 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -79.36 -35.27 41.13 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.279 1.032 . . . . 71.31 109.887 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 16.6 tp -54.15 -50.99 65.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.371 1.068 . . . . 73.24 110.406 171.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.93 -39.58 69.35 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.529 0.732 . . . . 73.24 111.235 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.32 -46.65 72.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.282 1.033 . . . . 75.42 110.823 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -81.27 -35.04 31.62 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.99 0.916 . . . . 63.0 110.969 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -60.42 -52.76 63.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.314 1.046 . . . . 70.22 111.58 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.46 -24.45 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.183 0.993 . . . . 73.43 112.465 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -63.6 -49.56 72.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.926 0.89 . . . . 71.55 109.873 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -82.65 -33.09 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.495 -1.684 . . . . 75.11 110.514 -171.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.5 -36.18 82.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.175 0.99 . . . . 75.23 108.787 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.8 t -70.52 -20.8 62.8 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.345 -0.843 . . . . 72.33 111.431 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -77.41 -4.06 43.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.245 0.618 . . . . 75.21 111.722 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.97 39.7 4.26 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 112.334 -0.306 . . . . 44.24 112.334 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -118.04 135.91 53.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.403 0.681 . . . . 75.12 109.429 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.61 102.71 8.11 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 108.776 -0.824 . . . . 74.41 108.776 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 80' ' ' LEU . 5.6 t -118.16 139.67 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.214 0.606 . . . . 63.41 110.069 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -120.31 156.8 30.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.53 0.732 . . . . 72.11 109.372 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -94.24 141.87 28.07 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.757 -0.831 . . . . 72.33 108.757 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 p -155.16 142.03 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 123.867 0.729 . . . . 73.24 110.807 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.9 p -123.47 -29.83 3.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.21 1.004 . . . . 61.03 109.995 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.01 143.27 32.63 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.556 0.743 . . . . 63.41 109.904 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.557 ' HA ' HD11 ' A' ' 14' ' ' LEU . 6.3 p-10 -74.49 -35.21 63.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.586 0.354 . . . . 70.41 111.582 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.66 -49.77 56.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.04 0.536 . . . . 61.34 109.802 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 116' ' ' ILE . 26.4 mm-40 -58.51 -38.98 78.85 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.085 0.865 . . . . 65.44 110.82 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.65 -51.45 63.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.908 0.883 . . . . 33.41 111.178 177.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.02 -35.09 74.33 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.915 0.759 . . . . 72.24 110.961 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' HG2' ' NH2' ' A' ' 118' ' ' ARG . 96.2 mttt -71.04 -46.22 62.48 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.295 -0.866 . . . . 61.24 111.267 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 112' ' ' GLU . 41.3 mm -70.41 -27.65 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.25 0.62 . . . . 64.51 110.434 -175.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -57.62 -48.7 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.425 -0.583 . . . . 72.13 109.425 168.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 115' ' ' LYS . 82.0 mtm-85 -70.17 -22.17 62.99 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.69 -0.686 . . . . 75.0 111.629 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -70.91 -46.92 61.68 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.218 0.607 . . . . 72.14 109.95 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -66.39 -35.41 80.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.626 0.77 . . . . 65.2 112.012 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.535 ' SD ' HG12 ' A' ' 22' ' ' VAL . 69.1 mtm -73.23 -24.92 60.55 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.666 0.604 . . . . 62.13 110.806 174.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -72.93 -46.74 50.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.467 0.707 . . . . 65.25 110.488 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.06 -36.91 83.07 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.687 -0.688 . . . . 73.02 109.778 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.12 87.43 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.428 -0.805 . . . . 62.11 109.993 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.993 0 O-C-N 124.008 0.817 . . . . 55.31 112.772 -177.768 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 109.031 -0.729 . . . . 70.34 109.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.1 130.85 62.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-N 115.806 -0.634 . . . . 71.12 109.913 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' HB2' HG22 ' A' ' 78' ' ' VAL . 86.5 mt -126.19 118.19 24.68 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.463 1.105 . . . . 63.34 108.711 173.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.2 mm -93.26 105.19 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.923 -1.14 . . . . 63.33 107.923 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.663 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -91.69 124.07 35.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.445 -1.317 . . . . 62.01 107.445 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.449 HD12 HD21 ' A' ' 55' ' ' LEU . 77.2 mt -126.69 119.11 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.863 -0.791 . . . . 73.51 108.863 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' HB2' HD12 ' A' ' 64' ' ' LEU . 21.9 t-20 -104.68 124.04 48.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.983 -1.488 . . . . 75.34 106.983 170.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 9.0 t -126.13 142.5 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.674 0.609 . . . . 70.13 109.647 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -80.64 -29.56 36.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.261 0.624 . . . . 74.34 109.637 170.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.534 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.7 m-20 -99.26 124.53 44.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.69 0.796 . . . . 51.13 111.071 -174.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.76 -19.09 64.71 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.555 1.142 . . . . 60.3 113.107 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.56 -43.99 89.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.08 0.552 . . . . 74.44 110.554 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -65.23 -29.92 70.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.573 -0.285 . . . . 74.1 111.697 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 HD21 ' A' ' 59' ' ' ASN . 56.1 mt -60.48 -60.8 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 N-CA-C 109.542 -0.54 . . . . 74.13 109.542 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.76 -41.74 99.36 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.211 0.605 . . . . 65.05 111.831 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.4 mtpt -69.16 -55.11 11.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.402 0.681 . . . . 73.41 111.268 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -57.56 -37.08 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.599 0.76 . . . . 70.53 110.409 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.6 mttm -53.45 -43.25 67.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.893 0.477 . . . . 73.44 111.772 175.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -77.15 -46.45 23.37 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.684 0.794 . . . . 74.52 111.549 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 7.5 mm-40 -50.01 -48.76 52.39 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.54 0.736 . . . . 73.53 111.434 176.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.752 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.2 m -88.86 -12.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.897 -0.592 . . . . 61.11 111.287 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.93 -38.62 91.74 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.087 -0.709 . . . . 71.13 109.087 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -67.57 -25.02 65.58 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.659 -1.155 . . . . 73.24 110.767 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 16.9 mm100 -103.12 3.59 36.06 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.816 0.846 . . . . 72.54 112.486 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.25 75.58 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 115.476 0.95 . . . . 53.32 115.476 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -105.44 125.7 51.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 117.476 0.638 . . . . 71.11 110.168 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -73.32 99.73 2.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.855 0.862 . . . . 64.41 109.6 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 19' ' ' LYS . 22.0 t -82.33 134.16 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.558 0.343 . . . . 73.22 111.131 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -127.62 117.37 21.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.771 -1.566 . . . . 75.22 106.771 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.98 131.96 45.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 109.585 -0.524 . . . . 65.23 109.585 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -129.12 117.3 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.227 1.011 . . . . 74.21 108.941 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.58 22.89 3.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.605 1.162 . . . . 63.14 108.293 169.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -140.36 144.34 36.22 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.408 1.083 . . . . 74.23 109.906 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 t -58.45 -47.01 85.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.772 0.829 . . . . 72.53 111.693 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 11.5 m-20 -68.27 -25.96 65.42 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 119.306 -0.378 . . . . 73.22 111.885 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.17 -40.37 74.75 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.118 0.417 . . . . 72.14 110.889 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -55.39 34.88 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.693 0.621 . . . . 70.24 110.322 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 39.6 mtpt -62.45 -43.09 99.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.34 -1.3 . . . . 72.2 110.905 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -62.06 -43.74 98.19 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.058 0.943 . . . . 63.13 110.542 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.8 mm-40 -69.37 -30.65 68.7 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.681 0.613 . . . . 64.1 111.703 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -70.24 -32.73 70.72 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.611 0.365 . . . . 73.25 111.359 176.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.9 mmtp -64.72 -42.27 95.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.008 -0.738 . . . . 74.31 109.008 173.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.65 -42.42 99.59 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 124.221 0.951 . . . . 74.21 111.283 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 92.9 mt -67.02 -31.99 72.91 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.906 0.482 . . . . 75.21 110.912 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.952 0 CA-C-N 115.769 -0.65 . . . . 74.22 111.789 178.559 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.037 -0.727 . . . . 71.24 109.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' HB ' HD23 ' A' ' 4' ' ' LEU . 59.4 mt -113.33 142.3 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -124.33 125.89 45.09 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.05 -1.463 . . . . 74.24 107.05 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.663 ' HB ' HD22 ' A' ' 6' ' ' LEU . 12.0 mm -111.55 122.11 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.612 -0.884 . . . . 74.54 108.612 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.58 140.5 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 108.873 -0.788 . . . . 73.53 108.873 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -141.44 167.3 22.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.552 1.141 . . . . 74.32 107.957 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.573 HD21 HD11 ' A' ' 15' ' ' ILE . 14.3 m120 -118.0 -7.67 10.83 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.427 0.691 . . . . 75.03 110.409 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -116.95 134.97 54.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 73.42 110.502 -167.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -77.29 -25.86 51.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.582 1.153 . . . . 63.02 112.085 -175.132 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.72 -43.1 38.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.461 0.304 . . . . 70.12 110.295 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.11 -34.86 79.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.534 0.734 . . . . 64.44 110.259 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.6 tt -65.56 -41.46 92.93 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.827 -0.624 . . . . 51.14 110.668 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -58.62 -58.78 7.05 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.619 0.574 . . . . 75.11 110.012 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -52.25 -41.82 63.12 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.865 0.728 . . . . 73.33 111.213 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.3 tpp -54.62 -63.02 1.29 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.164 0.986 . . . . 74.21 111.184 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -26.14 64.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.417 0.687 . . . . 53.25 112.581 -171.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.11 -33.74 50.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.7 0.4 . . . . 73.33 110.258 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 42' ' ' MET . 76.6 mt -71.55 -37.3 71.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.349 0.66 . . . . 64.3 110.616 172.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 74' ' ' LEU . 80.6 mt -72.6 -26.0 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.232 0.613 . . . . 52.44 110.296 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -65.11 -33.68 76.6 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.156 0.582 . . . . 75.12 110.07 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.38 -39.66 71.06 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.581 -0.736 . . . . 73.2 110.755 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 71' ' ' ILE . 71.3 mt -69.47 -36.1 76.24 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.927 0.891 . . . . 72.11 111.528 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.57 42.98 31.32 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.011 -0.54 . . . . 61.54 113.455 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.4 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.9 m-30 -98.36 140.72 32.21 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.641 0.376 . . . . 75.44 111.251 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -72.43 107.9 5.23 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.529 -0.915 . . . . 61.2 108.529 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 4' ' ' LEU . 98.1 t -106.61 139.92 26.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 123.367 0.667 . . . . 72.34 111.203 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.514 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.4 m-85 -109.52 113.38 26.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.062 -1.458 . . . . 72.13 107.062 166.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 64' ' ' LEU . 57.8 tp -96.71 139.38 32.86 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.119 0.568 . . . . 65.31 111.786 -175.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 22.4 tp -124.87 126.76 46.07 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.418 1.087 . . . . 34.22 108.16 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -113.48 113.41 25.11 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 108.604 -0.888 . . . . 55.13 108.604 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 23.6 tm0? -112.37 102.89 10.99 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.81 -1.181 . . . . 74.02 107.81 174.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -151.52 136.38 17.25 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.237 -1.394 . . . . 70.22 107.237 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.35 -24.27 59.15 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.079 0.4 . . . . 65.32 112.079 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.44 84.33 5.34 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.04 -0.726 . . . . 73.12 109.04 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.682 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 36.2 mt-10 -68.59 -13.93 62.67 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.801 0.667 . . . . 74.14 112.801 -174.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.33 -52.53 32.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.689 0.796 . . . . 32.34 110.001 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.59 -34.38 65.07 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.228 -0.896 . . . . 64.33 110.236 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.682 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 14.9 tp -64.97 -35.82 82.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 62.03 110.584 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.47 -49.79 74.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.003 0.521 . . . . 73.25 110.6 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 30.2 mm-40 -69.34 -40.92 77.26 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.635 -0.711 . . . . 75.55 111.291 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 24.4 t80 -69.82 -34.4 73.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 116.324 -0.398 . . . . 75.22 110.242 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' HG11 ' A' ' 104' ' ' VAL . 19.2 ttpt -58.74 -58.13 9.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.883 0.873 . . . . 64.13 110.665 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.503 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 2.3 ptm180 -67.41 -24.67 65.68 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.229 0.825 . . . . 71.23 113.229 -170.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.4 mptm? -72.86 -37.43 67.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.518 0.327 . . . . 71.31 111.105 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.9 mt -85.34 -23.74 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-O 121.584 0.707 . . . . 53.41 110.289 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 32.0 tt0 -64.75 -33.69 76.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.712 1.205 . . . . 75.53 109.14 171.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.0 t -70.96 -26.38 63.14 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 114.933 -1.031 . . . . 75.02 110.802 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -79.5 -0.82 34.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.632 0.773 . . . . 73.32 111.621 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.84 82.39 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 122.961 0.315 . . . . 53.3 113.298 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 97' ' ' ILE . 55.8 m-85 -82.61 144.64 30.17 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 122.68 0.392 . . . . 72.54 110.728 176.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -74.2 92.45 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.07 -0.968 . . . . 72.04 109.073 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.5 t -103.77 119.68 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.414 -0.587 . . . . 74.34 109.414 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -116.97 134.91 54.14 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.663 0.785 . . . . 75.12 109.155 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HB2' HD21 ' A' ' 90' ' ' LEU . 17.9 ptmt -97.91 155.93 16.84 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.851 0.86 . . . . 74.22 110.03 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -169.15 158.92 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.611 0.764 . . . . 73.12 109.463 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -128.48 -33.82 2.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.797 0.839 . . . . 73.13 110.584 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.62 144.29 26.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.153 0.581 . . . . 72.11 110.395 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.0 -38.64 66.55 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.574 0.749 . . . . 73.42 111.245 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.72 -41.39 92.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.509 0.724 . . . . 71.13 109.923 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.506 ' O ' HG12 ' A' ' 116' ' ' ILE . 14.4 tp10 -75.03 -32.85 61.69 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 115.063 -0.971 . . . . 65.11 110.333 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.42 -42.7 99.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.001 0.52 . . . . 63.21 111.046 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.555 HD11 ' HE2' ' A' ' 17' ' ' LYS . 80.7 mt -62.27 -35.72 79.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.431 0.692 . . . . 75.34 110.586 176.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 53.0 mtpt -70.73 -27.07 63.69 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.081 -0.963 . . . . 74.21 111.227 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 112' ' ' GLU . 26.4 mm -78.9 -36.07 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.414 -0.587 . . . . 52.45 109.414 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 113' ' ' ALA . 96.1 t -63.09 -39.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.497 0.719 . . . . 75.52 110.062 176.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.6 ptt180 -62.07 -35.5 78.83 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.361 0.413 . . . . 73.21 109.904 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 67.3 mm-40 -63.68 -47.09 82.64 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.977 0.798 . . . . 64.54 109.919 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' ILE . 25.6 m-85 -59.16 -47.23 86.08 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.102 0.876 . . . . 75.14 111.415 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.752 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -66.78 -38.49 86.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.746 0.819 . . . . 72.43 112.002 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -68.32 -41.44 80.82 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.212 1.005 . . . . 75.24 111.516 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -75.22 -37.16 61.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.404 0.682 . . . . 72.02 110.534 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.75 -34.2 75.19 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.326 0.65 . . . . 21.11 110.063 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.298 0 CA-C-N 114.84 -1.073 . . . . 54.33 112.368 172.335 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 53' ' ' LYS . 26.7 ttpt . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.536 -0.913 . . . . 72.41 108.536 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 77' ' ' LYS . 20.7 mt -94.31 129.01 45.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.276 -0.875 . . . . 72.22 108.937 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.71 110.05 21.98 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.741 -0.837 . . . . 61.04 108.741 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 mm -84.9 106.84 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 107.899 -1.148 . . . . 64.43 107.899 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.659 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.76 138.23 31.72 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.261 -1.385 . . . . 72.23 107.261 -177.517 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.52 HD12 HD21 ' A' ' 55' ' ' LEU . 79.2 mt -138.7 131.8 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.031 0.532 . . . . 74.21 109.68 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -120.62 114.64 22.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 107.375 -1.343 . . . . 60.43 107.375 168.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -124.96 144.41 50.38 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 64.12 108.892 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.18 -11.26 47.33 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.012 0.434 . . . . 73.13 109.988 173.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.54 129.34 36.02 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.23 1.012 . . . . 72.03 110.284 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.11 -38.39 78.89 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.645 0.591 . . . . 64.42 111.212 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.02 -44.32 94.69 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 74.35 110.638 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.0 -24.95 67.36 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.872 0.693 . . . . 72.34 112.872 -175.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.8 mt -57.95 -58.76 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 O-C-N 123.562 0.539 . . . . 74.34 110.062 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.15 -32.67 63.24 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.043 0.386 . . . . 71.34 112.043 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 114' ' ' LEU . 30.1 mtpp -60.91 -51.96 67.05 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.223 0.609 . . . . 62.11 109.938 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 7' ' ' ILE . 90.1 mt -64.71 -38.14 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.075 0.859 . . . . 64.31 110.498 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' HG11 ' A' ' 29' ' ' VAL . 95.8 mttt -55.85 -43.04 76.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.286 0.366 . . . . 73.44 111.518 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -72.1 -43.55 64.62 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.553 0.533 . . . . 75.44 110.53 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -50.12 -48.32 53.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.194 -0.912 . . . . 71.1 112.464 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.41 -15.04 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.081 0.552 . . . . 62.42 111.596 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.656 0.741 . . . . 72.43 109.482 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.54 -25.12 66.51 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.973 -1.467 . . . . 75.24 111.118 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.96 -2.88 56.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.017 0.927 . . . . 74.11 112.048 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 34.68 72.85 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 115.06 0.784 . . . . 74.21 115.06 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -102.39 125.22 49.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.793 -0.817 . . . . 70.5 108.793 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -82.35 118.69 23.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.34 -0.615 . . . . 62.23 109.34 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 19' ' ' LYS . 26.3 t -88.54 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.909 0.483 . . . . 74.04 110.349 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -125.86 137.63 53.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 106.615 -1.624 . . . . 74.14 106.615 167.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -121.95 126.41 48.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 107.823 -1.177 . . . . 73.15 107.823 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 38' ' ' LEU . 96.7 t -105.19 115.32 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 123.809 0.844 . . . . 74.03 109.564 -170.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.04 -17.7 18.99 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.32 0.648 . . . . 73.44 111.606 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.07 154.25 41.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.413 0.285 . . . . 61.24 111.044 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.7 p -55.56 -47.15 76.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.299 1.039 . . . . 71.52 112.695 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 4.7 m-20 -62.76 -33.61 75.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.547 0.339 . . . . 75.22 111.134 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.49 -51.34 69.05 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.72 0.638 . . . . 72.12 110.013 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 9.0 tt -49.61 -47.52 49.55 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.547 1.139 . . . . 53.42 110.947 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' SER . 24.6 mtpp -73.09 -25.69 60.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 74.32 111.362 -174.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 45.5 mmtm -70.15 -41.9 73.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.911 0.485 . . . . 70.01 110.308 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 8.9 mm-40 -59.24 -42.32 90.8 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.938 0.774 . . . . 72.23 110.494 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' HD13 ' A' ' 70' ' ' LEU . 23.0 mmt -60.2 -36.14 76.98 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.729 0.811 . . . . 71.12 112.353 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -68.81 -38.41 79.9 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.232 -0.895 . . . . 74.52 110.25 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.42 -34.14 74.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.852 0.461 . . . . 74.31 110.639 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.6 mt -65.43 -28.45 69.25 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.609 0.764 . . . . 73.54 111.335 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 123.336 0.655 . . . . 74.14 110.991 178.591 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 109.985 -0.376 . . . . 73.42 109.985 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mm -111.47 115.83 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.133 0.573 . . . . 51.45 109.598 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -83.94 134.86 34.65 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.085 -1.08 . . . . 63.44 108.085 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.659 ' HB ' HD22 ' A' ' 6' ' ' LEU . 16.0 mm -116.53 135.58 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.032 0.533 . . . . 62.44 109.724 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -115.63 136.52 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 107.343 -1.355 . . . . 72.13 107.343 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -142.19 128.9 20.42 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.875 -1.158 . . . . 42.53 107.875 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.44 -9.15 59.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.736 0.414 . . . . 75.22 110.734 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.2 137.16 52.33 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.434 0.694 . . . . 64.11 111.098 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.75 -29.59 36.24 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.874 -1.057 . . . . 34.1 113.167 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -69.41 -41.37 76.47 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.515 -0.55 . . . . 74.11 109.515 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.06 -45.36 87.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.375 -0.83 . . . . 41.35 109.989 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -53.25 -48.35 68.3 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.942 0.776 . . . . 71.04 111.417 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.78 -54.41 46.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.867 0.467 . . . . 71.34 111.792 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -49.31 68.32 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.038 1.335 . . . . 63.45 109.823 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 56' ' ' ILE . 4.3 ttp -53.61 -52.91 58.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 113.012 -1.904 . . . . 73.15 112.879 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.527 HD21 ' HG ' ' A' ' 6' ' ' LEU . 80.2 mt -65.35 -33.9 77.05 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.607 0.595 . . . . 74.35 112.607 -175.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.89 -30.36 65.31 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.551 0.532 . . . . 53.22 110.554 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 42' ' ' MET . 95.2 mt -72.14 -37.84 69.36 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 122.721 0.408 . . . . 74.22 111.179 171.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.466 HD12 HD23 ' A' ' 68' ' ' LEU . 68.4 mt -68.51 -29.17 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 122.99 0.516 . . . . 60.52 110.357 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -61.15 -34.51 75.14 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.411 0.684 . . . . 63.41 110.534 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -72.02 -30.75 65.52 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.06 0.457 . . . . 74.31 110.259 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.1 -22.91 48.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.656 0.782 . . . . 73.22 110.859 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.03 31.48 75.21 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.007 -0.542 . . . . 53.31 113.987 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -88.86 150.64 22.79 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.009 0.523 . . . . 75.13 111.797 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HB2' HG12 ' A' ' 3' ' ' ILE . 31.4 mmmt -66.85 117.25 8.69 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.66 -1.155 . . . . 65.04 109.191 173.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 68' ' ' LEU . 54.5 t -108.84 122.52 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.881 -0.414 . . . . 72.03 109.881 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -110.67 111.3 22.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.144 -1.798 . . . . 75.31 106.144 167.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 tp -106.29 133.79 50.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.577 0.751 . . . . 74.35 110.613 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD13 HG21 ' A' ' 116' ' ' ILE . 39.4 tp -115.68 118.5 33.24 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 63.21 109.455 173.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 90' ' ' LEU . 85.1 mt -103.27 122.89 45.72 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.831 0.853 . . . . 72.45 109.561 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -113.76 109.41 18.52 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.497 -0.927 . . . . 71.11 108.497 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -154.58 148.34 25.46 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.345 0.403 . . . . 62.02 110.066 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.5 -40.39 26.19 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.189 0.596 . . . . 70.51 112.287 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -86.37 95.62 9.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.277 -0.638 . . . . 52.42 109.277 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.3 mt-10 -71.6 -18.27 62.23 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.821 0.674 . . . . 72.24 112.821 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 3.9 m-20 -64.43 -46.93 81.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.288 -0.634 . . . . 71.12 109.288 172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.03 -36.96 58.88 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.368 -0.833 . . . . 71.12 110.357 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 30.1 tp -66.92 -51.62 53.05 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 123.889 0.876 . . . . 71.13 110.826 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 25.5 tp10 -59.43 -51.63 69.07 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.226 0.954 . . . . 63.23 110.041 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 1.4 tm-20 -52.72 -52.63 55.47 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.678 1.236 . . . . 74.13 111.472 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.83 -40.82 98.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.644 1.178 . . . . 74.21 111.146 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.04 -30.97 71.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.102 0.961 . . . . 51.52 111.054 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 9.0 mmm180 -63.64 -36.92 85.4 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.677 0.391 . . . . 73.22 111.295 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.9 -46.49 90.41 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.184 -0.916 . . . . 72.35 110.732 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.43 HG21 HD23 ' A' ' 80' ' ' LEU . 18.7 mt -74.54 -29.53 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 114.687 -1.142 . . . . 71.51 110.902 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.93 -34.46 73.49 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.526 -1.216 . . . . 72.31 109.805 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -73.88 -20.76 60.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.627 0.771 . . . . 74.24 110.991 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -71.88 -12.65 61.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.705 0.402 . . . . 74.22 110.584 172.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.96 52.69 4.23 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.769 -0.532 . . . . 54.24 111.769 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -127.64 145.07 51.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.159 0.584 . . . . 74.42 109.824 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.67 94.76 3.28 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.594 -0.891 . . . . 73.44 108.594 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.78 109.3 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.411 -0.588 . . . . 52.21 109.411 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 0.7 OUTLIER -101.83 150.56 23.04 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.237 -0.653 . . . . 74.45 109.237 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -98.4 155.42 17.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.703 0.801 . . . . 63.32 109.123 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.95 152.32 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.267 0.627 . . . . 74.42 110.289 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -119.01 -40.57 2.83 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.352 0.661 . . . . 54.44 111.581 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -94.91 155.29 16.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.814 0.446 . . . . 73.13 111.523 -172.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.61 -45.33 68.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.93 0.892 . . . . 73.15 112.182 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.68 -37.16 70.78 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.207 0.527 . . . . 64.03 109.745 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.29 -36.33 83.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.517 1.127 . . . . 75.41 111.04 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.52 -44.64 95.86 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.38 0.425 . . . . 23.22 110.657 175.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 17' ' ' LYS . 72.2 mt -59.83 -33.21 71.46 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.905 0.753 . . . . 55.02 110.652 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.2 mmmp? -71.04 -53.02 16.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.367 -0.833 . . . . 64.21 111.445 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.416 HG21 HD13 ' A' ' 81' ' ' LEU . 38.1 mm -63.3 -32.81 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 117.881 0.309 . . . . 71.44 111.126 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.2 t -64.2 -46.25 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.227 0.611 . . . . 70.1 110.832 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.6 ptm180 -69.89 -29.93 67.24 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.916 0.135 . . . . 71.14 110.67 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 45.7 mm-40 -69.57 -44.34 71.05 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.463 -0.569 . . . . 73.21 109.463 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 7.9 m-30 -55.15 -44.8 75.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.387 1.075 . . . . 70.33 112.15 175.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 118' ' ' ARG . 69.0 mtm -71.29 -27.28 63.31 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.782 0.676 . . . . 51.14 112.035 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -76.34 -38.07 56.44 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.696 0.399 . . . . 74.42 110.418 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -60.68 -50.63 72.71 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.825 -0.806 . . . . 60.4 108.825 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.75 85.1 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.865 -1.516 . . . . 71.42 110.984 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.085 0 O-C-N 124.361 1.038 . . . . 71.33 113.102 -176.595 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.2 mttp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.848 0.356 . . . . 74.4 110.199 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 77' ' ' LYS . 39.1 mt -114.65 109.76 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 107.624 -1.25 . . . . 72.25 107.624 167.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.8 122.77 46.43 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.474 -0.936 . . . . 61.52 108.474 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 33.6 mm -89.71 112.21 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 108.034 -1.098 . . . . 64.31 108.034 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -93.83 134.85 35.75 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 107.344 -1.354 . . . . 73.02 107.344 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.429 HD12 HD21 ' A' ' 55' ' ' LEU . 82.2 mt -139.55 128.0 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.33 0.652 . . . . 62.21 109.342 176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 64' ' ' LEU . 24.3 t-20 -119.9 112.7 19.53 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.353 -0.98 . . . . 70.34 108.353 169.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -127.92 140.77 51.81 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.419 1.087 . . . . 71.45 108.301 167.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.08 -4.88 59.18 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.225 0.61 . . . . 64.45 110.283 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.49 109.76 21.61 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.998 0.919 . . . . 72.4 108.616 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.29 -18.63 64.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.971 0.908 . . . . 73.32 111.914 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.02 -56.16 24.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.255 0.972 . . . . 75.11 109.003 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.1 mm? -65.08 -36.27 83.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.077 -0.51 . . . . 72.31 111.433 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' HE2' ' A' ' 19' ' ' LYS . 60.5 mt -53.75 -56.53 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.655 0.597 . . . . 74.23 110.466 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.46 -37.28 74.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.088 0.403 . . . . 71.22 112.088 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.9 mtpt -66.76 -44.43 81.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.109 0.564 . . . . 64.22 111.163 -177.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.418 HD13 HD13 ' A' ' 7' ' ' ILE . 87.2 mt -62.87 -42.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 123.885 0.741 . . . . 71.31 109.683 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HE2' HG22 ' A' ' 15' ' ' ILE . 55.4 mtmt -60.95 -31.44 70.99 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 119.113 -0.47 . . . . 73.22 111.741 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -72.3 -52.16 17.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.426 0.29 . . . . 75.54 110.58 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 mm-40 -43.82 -53.98 5.57 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.137 0.975 . . . . 70.03 112.054 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.557 HG12 ' SD ' ' A' ' 121' ' ' MET . 6.1 m -83.6 -21.28 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.631 -1.168 . . . . 73.12 111.885 -169.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.48 -46.74 86.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.908 0.883 . . . . 72.01 110.004 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -65.02 -29.5 70.41 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.265 -0.88 . . . . 70.12 110.654 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.6 mm-40 -83.35 -0.02 47.94 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.318 0.647 . . . . 74.22 111.809 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.6 29.32 57.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.852 0.701 . . . . 72.22 114.852 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -102.42 122.76 44.93 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 117.373 0.587 . . . . 75.23 109.703 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -84.56 120.1 25.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.342 0.657 . . . . 75.13 109.512 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 23.2 t -96.03 143.49 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.329 0.652 . . . . 70.53 111.273 -175.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -118.72 118.08 30.66 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.257 -1.016 . . . . 64.12 108.257 171.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.11 116.92 23.13 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.094 -1.076 . . . . 75.21 108.094 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.08 115.77 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 108.263 -1.014 . . . . 74.23 108.263 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -137.97 17.38 2.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.681 1.192 . . . . 55.32 108.399 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -143.74 138.19 28.64 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.576 1.151 . . . . 72.23 110.296 -176.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.4 t -63.8 -42.75 97.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.161 0.984 . . . . 62.42 113.154 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.06 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 123.038 0.211 . . . . 35.34 110.626 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 22.4 mm-40 -64.93 -46.25 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.838 0.455 . . . . 72.2 110.366 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 66' ' ' GLU . 6.9 tt -55.67 -51.01 68.73 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.039 0.936 . . . . 70.0 111.264 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -69.52 -40.87 76.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.262 -0.881 . . . . 74.12 111.474 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -72.46 -24.09 61.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.007 0.523 . . . . 60.33 111.657 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 48.7 mm-40 -68.29 -44.11 76.21 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 110.026 -0.361 . . . . 72.53 110.026 169.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.533 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -64.57 -25.68 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.333 0.653 . . . . 62.3 112.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.08 -57.71 10.57 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.562 0.539 . . . . 73.55 109.892 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -65.61 -33.97 77.14 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.584 0.754 . . . . 75.3 112.242 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.682 0.793 . . . . 63.21 110.184 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 112.141 0.423 . . . . 70.03 112.141 -177.725 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.241 0.642 0 N-CA-C 109.348 -0.612 . . . . 72.31 109.348 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -100.55 122.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 115.894 -0.594 . . . . 73.34 109.919 -170.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 7.1 tt -87.83 127.71 35.34 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.245 -1.391 . . . . 65.43 107.245 169.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.2 mm -107.02 112.27 39.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.9 -0.778 . . . . 72.23 108.9 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.4 mt -95.19 114.53 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.037 -1.468 . . . . 61.21 107.037 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -112.1 118.53 35.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.852 -1.536 . . . . 33.33 106.852 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.12 -32.16 72.25 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.681 0.613 . . . . 75.23 110.385 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -100.33 134.86 42.64 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 74.13 109.817 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.4 -22.97 47.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.543 0.737 . . . . 64.33 112.937 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 6.7 tp60 -72.44 -42.02 65.5 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.983 -0.747 . . . . 75.14 108.983 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.47 -31.54 72.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.28 0.632 . . . . 75.31 110.689 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 80' ' ' LEU . 6.9 tt -61.12 -47.33 86.77 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.855 0.462 . . . . 64.31 110.182 173.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.91 -56.52 20.96 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.821 0.701 . . . . 60.14 110.982 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 38' ' ' LEU . 8.6 mm-40 -57.59 -39.03 75.89 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.966 0.791 . . . . 70.31 110.619 -176.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.463 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.2 tpp -56.22 -56.63 18.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.395 1.059 . . . . 73.0 110.243 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.525 HD23 HD12 ' A' ' 71' ' ' ILE . 95.5 mt -72.58 -27.63 62.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.641 0.776 . . . . 45.43 112.935 -172.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.55 -36.14 60.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.919 0.488 . . . . 75.44 110.071 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD13 ' HG3' ' A' ' 42' ' ' MET . 79.6 mt -67.38 -38.69 85.13 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.43 110.65 170.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 76' ' ' TYR . 84.9 mt -67.2 -30.33 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.601 0.761 . . . . 74.42 110.162 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -68.22 -35.48 78.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.951 0.501 . . . . 71.33 110.311 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.64 -38.47 77.17 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.84 0.856 . . . . 75.21 110.672 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.93 -18.74 49.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.982 0.913 . . . . 70.43 111.502 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.84 29.87 68.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.469 0.948 . . . . 74.44 115.469 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.553 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.0 m-85 -83.62 146.15 28.44 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.102 0.951 . . . . 64.03 111.135 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HB3' HG12 ' A' ' 3' ' ' ILE . 15.7 tppt? -73.87 124.94 27.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.487 0.715 . . . . 71.31 110.079 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.35 139.35 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.383 0.611 . . . . 72.52 111.335 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -112.25 113.91 26.4 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 106.638 -1.616 . . . . 74.23 106.638 166.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 64' ' ' LEU . 31.6 tp -102.17 140.94 35.78 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.614 0.765 . . . . 53.23 110.737 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.9 tp -126.14 120.72 30.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.068 0.947 . . . . 75.21 109.55 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.56 118.5 35.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.437 1.095 . . . . 73.14 109.452 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -102.16 117.34 34.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.949 0.34 . . . . 74.25 110.415 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 13.6 m-20 -147.6 146.38 29.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.535 1.134 . . . . 54.42 108.776 173.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -84.86 -17.04 39.22 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.922 -0.581 . . . . 73.53 109.624 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.96 85.99 6.84 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.733 0.813 . . . . 62.13 108.828 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.37 -26.65 68.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.484 0.713 . . . . 72.22 112.915 -173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.79 -55.01 26.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.783 0.833 . . . . 73.25 110.271 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.06 -41.33 70.86 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.689 -0.687 . . . . 71.24 109.95 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 27.0 tp -57.27 -41.07 79.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.725 1.21 . . . . 70.23 111.002 177.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.59 -49.35 75.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.623 0.577 . . . . 75.44 111.056 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -58.3 -54.84 42.46 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.108 0.88 . . . . 74.05 111.507 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -64.53 -33.9 76.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.865 0.466 . . . . 73.04 110.729 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.6 OUTLIER -63.49 -58.62 6.45 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.419 0.687 . . . . 63.42 111.165 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -65.98 -31.48 72.41 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.727 0.642 . . . . 73.45 112.394 -171.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.16 -40.61 96.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.158 0.583 . . . . 73.51 111.189 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.0 mt -82.48 -27.35 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.629 0.771 . . . . 55.53 110.847 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.97 -27.45 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.847 -0.615 . . . . 72.31 109.775 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -76.47 -16.09 59.75 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.658 0.783 . . . . 64.3 110.823 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -77.59 -6.32 53.33 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.984 0.513 . . . . 63.44 110.812 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 50.0 3.43 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.431 0.457 . . . . 62.12 112.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -131.35 144.55 51.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.43 0.692 . . . . 72.41 110.157 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.5 91.07 3.9 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.263 -1.014 . . . . 72.12 108.263 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.555 HG12 ' HG2' ' A' ' 94' ' ' LYS . 30.0 t -104.55 133.53 48.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 108.087 -1.079 . . . . 51.43 108.087 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 4.5 tpt180 -121.69 146.45 47.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 110.166 -0.309 . . . . 75.52 110.166 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 54.3 mtpt -96.04 138.38 33.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 74.12 108.146 173.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.2 137.83 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 123.416 0.447 . . . . 53.12 110.671 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 p -104.55 -52.91 2.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.996 0.918 . . . . 73.13 109.517 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.51 139.86 42.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.162 0.585 . . . . 62.11 110.474 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.46 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.8 m-20 -71.55 -36.57 71.0 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.571 0.748 . . . . 74.41 110.098 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.22 -34.93 79.54 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.215 -0.902 . . . . 74.31 110.708 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.9 tt0 -73.95 -33.38 63.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.691 1.196 . . . . 72.15 109.894 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.07 -49.6 77.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.769 0.428 . . . . 45.13 110.612 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.419 HD11 ' HE2' ' A' ' 17' ' ' LYS . 79.4 mt -56.69 -44.82 81.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.923 0.889 . . . . 74.43 111.524 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 19.4 ptmt -75.43 -29.33 59.69 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.083 -0.508 . . . . 75.33 111.633 -172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.2 mm -72.47 -32.0 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 117.772 0.26 . . . . 71.42 110.404 176.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.6 t -62.56 -39.5 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 109.72 -0.474 . . . . 65.34 109.72 172.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.3 -41.63 97.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.4 0.68 . . . . 53.03 110.382 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 35.7 mm-40 -63.67 -44.72 92.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.657 0.783 . . . . 72.14 111.236 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 11.8 m-30 -60.6 -46.47 90.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.164 0.986 . . . . 71.42 112.578 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.557 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.3 mtm -68.03 -31.19 70.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.488 0.715 . . . . 71.45 111.655 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.42 -47.45 67.22 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.591 0.557 . . . . 73.53 110.862 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -65.23 -42.38 93.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.344 0.658 . . . . 62.25 110.171 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.82 88.77 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.922 0.889 . . . . 33.22 110.905 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.06 0 CA-C-N 114.823 -1.08 . . . . 54.41 112.915 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 18.9 ptpt . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 108.83 -0.804 . . . . 72.14 108.83 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.6 mt -105.23 122.61 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 109.045 -0.724 . . . . 71.22 109.045 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' VAL . 69.1 mt -105.59 111.25 23.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.185 0.594 . . . . 45.14 109.437 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' A' ' 120' ' ' PHE . 21.9 mm -89.02 99.41 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 107.046 -1.465 . . . . 74.32 107.046 172.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.2 111.52 23.19 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 106.591 -1.633 . . . . 72.52 106.591 -174.532 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.61 124.35 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.045 0.538 . . . . 43.32 109.714 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.4 t30 -113.33 114.83 27.2 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.9 -1.148 . . . . 61.53 107.9 174.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -123.4 146.94 47.59 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.36 0.664 . . . . 73.01 110.632 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.19 -36.9 22.47 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.022 -0.535 . . . . 72.51 110.213 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.582 ' HB2' HD23 ' A' ' 14' ' ' LEU . 77.3 m-20 -98.44 131.85 44.37 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.06 -0.973 . . . . 72.23 111.228 -167.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.35 -29.81 70.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.476 1.111 . . . . 71.02 111.9 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.51 -49.47 64.73 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.784 0.834 . . . . 71.43 111.134 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -67.24 -30.11 69.93 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 116.141 -0.481 . . . . 75.13 111.798 -172.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 37.0 mt -57.06 -60.18 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-O 120.947 0.404 . . . . 73.24 110.004 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -69.67 -37.03 76.52 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.53 -0.759 . . . . 73.55 112.472 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.4 mtpt -74.29 -40.99 61.91 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.191 0.596 . . . . 75.14 112.202 -176.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG23 HG11 ' A' ' 117' ' ' VAL . 83.0 mt -61.54 -38.62 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 109.514 -0.55 . . . . 72.33 109.514 174.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG2' HG21 ' A' ' 29' ' ' VAL . 56.4 mtmt -59.32 -35.65 74.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.283 0.364 . . . . 63.11 111.652 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.96 -54.3 28.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.736 0.414 . . . . 63.33 110.43 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.7 mm-40 -46.68 -52.29 14.15 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.727 1.211 . . . . 74.02 112.715 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.646 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 m -87.21 -11.84 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.129 -0.941 . . . . 74.04 112.026 -170.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.0 -45.7 86.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.423 0.689 . . . . 55.14 110.311 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.45 -31.14 71.7 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.825 -1.08 . . . . 55.4 110.747 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -91.58 -1.86 57.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.889 0.875 . . . . 74.52 112.081 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.75 29.19 69.72 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.835 1.094 . . . . 70.43 115.835 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.646 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.4 m-85 -90.06 112.77 24.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 117.704 0.752 . . . . 74.41 109.231 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB2' HD13 ' A' ' 54' ' ' ILE . 54.7 mt-30 -70.93 104.32 2.92 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.827 0.851 . . . . 61.3 109.81 -175.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' HG2' ' A' ' 19' ' ' LYS . 48.7 t -79.35 134.44 27.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.934 0.397 . . . . 75.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -119.95 107.92 13.7 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.405 -1.702 . . . . 64.05 106.405 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.77 119.85 24.4 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.529 -0.545 . . . . 61.23 109.529 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.66 HG12 HD13 ' A' ' 63' ' ' LEU . 98.7 t -111.73 112.49 40.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 N-CA-C 108.16 -1.052 . . . . 71.35 108.16 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -105.55 -28.49 10.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.079 0.952 . . . . 75.3 110.562 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -139.5 162.22 35.6 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.561 0.744 . . . . 64.22 110.211 -168.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -48.81 -45.6 40.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.92 1.288 . . . . 60.21 112.736 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 1.5 m-20 -57.27 -49.29 76.52 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.142 0.577 . . . . 74.53 110.227 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 30.3 mm-40 -55.62 -43.01 75.74 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 124.256 0.973 . . . . 71.11 110.468 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 42' ' ' MET . 6.5 tt -54.97 -56.97 13.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.903 0.881 . . . . 72.11 109.959 173.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 56.6 mtpt -58.86 -33.55 70.58 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.948 -1.024 . . . . 64.01 111.282 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 75.7 mmtt -68.42 -52.42 33.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.464 0.705 . . . . 74.15 110.629 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.2 mm-40 -72.14 -31.82 66.33 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.096 -0.502 . . . . 73.53 111.837 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.1 mmm -70.59 -24.34 62.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.847 0.459 . . . . 74.12 111.197 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.0 mmtp -64.9 -44.63 88.94 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.971 -0.381 . . . . 73.43 109.971 171.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.88 -30.21 70.77 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.662 0.601 . . . . 74.21 111.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 54' ' ' ILE . 66.9 mt -70.62 -47.0 62.3 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.994 -0.373 . . . . 65.15 109.994 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 123.846 0.859 . . . . 44.34 113.066 -175.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 C--O 1.239 0.523 0 N-CA-C 107.406 -1.331 . . . . 75.22 107.406 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 45' ' ' LEU . 40.9 mm -101.09 115.48 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.835 -0.802 . . . . 61.14 108.835 -175.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -94.13 121.33 35.51 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 107.349 -1.352 . . . . 74.41 107.349 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.743 HG21 ' SD ' ' A' ' 67' ' ' MET . 17.9 mm -100.24 133.35 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 108.236 -1.024 . . . . 61.31 108.236 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' ILE . 62.8 mt -105.83 123.99 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.465 -0.939 . . . . 74.13 108.465 169.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.5 t -122.08 124.31 43.62 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 107.869 -1.159 . . . . 74.21 107.869 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -5.99 54.89 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 120.996 0.427 . . . . 70.4 110.089 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' HD12 ' A' ' 63' ' ' LEU . 32.4 t70 -133.85 143.33 48.26 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.233 0.457 . . . . 64.03 112.233 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -69.59 -37.01 76.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.982 0.913 . . . . 73.34 112.48 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 7.4 tp60 -65.07 -41.22 95.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.382 -0.599 . . . . 75.41 109.382 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 32' ' ' VAL . 96.0 mt -56.97 -50.67 71.97 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.675 -0.693 . . . . 72.22 110.376 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 80' ' ' LEU . 9.8 tt -56.9 -44.09 81.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 116.013 -0.54 . . . . 64.31 111.462 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 9.0 mtpm? -58.07 -57.44 12.81 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.084 0.954 . . . . 53.32 111.8 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.3 mm-40 -60.57 -43.11 97.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.498 -0.774 . . . . 72.42 110.423 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.743 ' SD ' HG21 ' A' ' 56' ' ' ILE . 11.1 ttp -59.25 -47.74 84.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.626 -1.17 . . . . 60.12 111.52 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 71' ' ' ILE . 56.5 mt -66.1 -31.94 73.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.835 0.454 . . . . 75.31 111.635 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -41.54 96.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.324 0.65 . . . . 63.21 109.622 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 89.8 mt -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.706 -1.134 . . . . 63.21 111.093 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 68' ' ' LEU . 91.0 mt -64.75 -34.23 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.539 0.736 . . . . 63.04 110.403 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -61.21 -33.13 72.98 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.779 0.831 . . . . 65.12 110.301 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -75.84 -44.77 39.31 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.594 0.757 . . . . 72.31 110.872 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.1 mt -69.14 -33.36 73.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.443 0.697 . . . . 63.1 112.293 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 68.87 1.44 Allowed Glycine 0 C--N 1.347 1.159 0 O-C-N 123.371 0.419 . . . . 71.14 113.519 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -126.08 148.85 49.25 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.318 0.647 . . . . 71.22 111.119 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -80.36 113.18 18.35 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.966 -1.124 . . . . 53.51 107.966 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 4' ' ' LEU . 66.3 t -103.93 135.59 40.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.731 0.813 . . . . 74.32 110.727 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.443 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 89.9 m-85 -106.15 113.97 27.83 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.441 -1.689 . . . . 75.3 106.441 163.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD23 HG22 ' A' ' 104' ' ' VAL . 62.8 tp -100.54 127.16 46.99 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.763 0.425 . . . . 61.35 110.236 -176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 22.2 tp -107.83 115.41 30.08 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.409 1.084 . . . . 70.3 108.358 166.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.98 112.17 24.46 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 107.717 -1.216 . . . . 71.44 107.717 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.64 103.95 14.78 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.991 -1.115 . . . . 63.44 107.991 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.18 118.81 23.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.85 -1.537 . . . . 74.21 106.85 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -68.03 -22.71 64.95 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.192 0.932 . . . . 74.34 110.059 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -98.9 115.05 27.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.361 -1.348 . . . . 63.51 107.361 171.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -85.84 6.63 27.29 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.34 0.867 . . . . 72.33 113.34 -173.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.68 -33.67 25.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.238 -1.023 . . . . 72.12 108.238 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.67 -50.58 62.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.53 0.732 . . . . 74.0 109.887 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.603 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 39.7 tp -57.34 -54.42 46.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.442 1.089 . . . . 73.54 111.656 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.43 -54.21 43.57 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.071 0.548 . . . . 75.11 112.375 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -57.42 -40.74 78.98 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.933 0.771 . . . . 74.11 112.336 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -75.42 -37.13 60.61 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.756 0.422 . . . . 74.24 110.071 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -63.34 -53.6 50.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.662 1.185 . . . . 74.42 111.773 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -58.5 -32.6 68.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.305 0.642 . . . . 65.15 112.278 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.27 -51.76 58.68 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.438 0.637 . . . . 70.4 110.969 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.553 HG22 ' HB2' ' A' ' 102' ' ' TYR . 63.8 mt -77.77 -30.01 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 114.956 -1.02 . . . . 65.51 111.862 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.45 -21.89 55.31 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.514 0.725 . . . . 64.42 110.162 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -76.63 -20.4 56.75 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.285 0.634 . . . . 41.42 110.879 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -86.69 8.65 21.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.646 0.778 . . . . 73.42 111.036 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.36 18.16 72.05 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 114.052 0.381 . . . . 74.31 114.052 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.7 m-85 -94.59 131.74 40.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.078 0.551 . . . . 75.44 109.746 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -72.39 99.95 2.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.594 0.757 . . . . 70.13 109.524 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.587 HG22 HD23 ' A' ' 80' ' ' LEU . 19.3 t -99.02 125.49 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 109.899 -0.408 . . . . 74.12 109.899 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 148.49 28.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.979 -0.748 . . . . 75.13 108.979 174.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -96.38 147.57 23.68 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.787 0.835 . . . . 65.41 110.757 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -166.76 149.61 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.45 0.7 . . . . 63.1 110.59 163.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.3 p -120.08 -39.67 2.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.662 1.185 . . . . 74.5 109.482 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.56 148.41 35.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.67 0.788 . . . . 61.53 110.748 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.62 -46.63 21.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.892 0.877 . . . . 73.22 110.044 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.62 -41.5 96.15 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.413 -0.812 . . . . 72.11 109.962 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 116' ' ' ILE . 25.2 tt0 -68.63 -36.65 78.9 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 115.865 -0.607 . . . . 55.23 111.087 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.99 -44.79 71.12 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.851 0.46 . . . . 64.02 111.741 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' HE2' ' A' ' 17' ' ' LYS . 75.4 mt -60.16 -44.59 94.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 123.649 0.593 . . . . 53.42 111.401 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 21.0 pttp -77.26 -18.16 57.82 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.001 0.52 . . . . 74.32 111.478 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.4 mm -79.14 -32.44 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 122.64 0.376 . . . . 75.21 110.243 170.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.1 t -61.79 -39.81 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.877 0.471 . . . . 71.15 110.37 174.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.1 ptm180 -71.01 -22.15 62.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.083 -0.508 . . . . 74.11 111.21 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -64.58 -42.43 95.63 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.765 0.426 . . . . 75.02 110.006 171.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.585 ' HB3' HD12 ' A' ' 5' ' ' ILE . 27.2 m-85 -66.69 -42.57 86.25 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.71 -0.677 . . . . 75.13 111.086 175.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.9 mtm -65.29 -30.88 71.79 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.007 0.523 . . . . 62.42 111.741 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.52 -54.74 31.5 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.766 1.227 . . . . 75.32 111.0 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -74.58 -31.59 62.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.144 -0.934 . . . . 73.24 111.529 -172.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.27 64.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.799 0.839 . . . . 73.51 110.305 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.263 0 O-C-N 123.486 0.491 . . . . 74.13 112.146 171.413 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.801 0.334 . . . . 73.24 110.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.683 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 44.2 mt -94.85 138.77 20.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.971 0.909 . . . . 64.42 108.869 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -110.3 116.35 31.32 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.688 0.795 . . . . 74.31 109.999 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 29.8 mm -89.02 106.66 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 107.659 -1.237 . . . . 54.42 107.659 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.677 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -94.25 126.78 39.71 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.822 -1.177 . . . . 61.3 107.822 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 55' ' ' LEU . 70.6 mt -129.55 126.33 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 108.705 -0.85 . . . . 61.53 108.705 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 64' ' ' LEU . 5.4 t30 -118.45 119.54 34.89 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.161 -1.052 . . . . 63.43 108.161 173.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 14' ' ' LEU . 8.0 t -124.95 142.77 51.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.306 -0.628 . . . . 60.53 109.306 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -88.71 -9.22 52.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.956 -0.565 . . . . 65.42 110.527 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -110.64 113.9 26.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.228 1.011 . . . . 61.11 109.588 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.34 -15.89 58.76 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.495 1.118 . . . . 54.41 112.933 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -56.83 -42.1 79.01 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.483 0.49 . . . . 73.42 110.411 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 9' ' ' THR . 3.9 mm? -64.4 -31.73 73.05 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.144 -0.48 . . . . 62.22 112.125 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' HE3' ' A' ' 19' ' ' LYS . 36.2 mt -62.44 -57.44 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.574 -0.528 . . . . 52.03 109.574 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -64.97 -36.51 84.62 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.331 -0.849 . . . . 62.4 111.705 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -68.52 -50.21 53.84 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.221 0.609 . . . . 72.14 111.928 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.89 -32.18 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.499 0.72 . . . . 72.54 110.777 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.636 ' HG2' HG11 ' A' ' 29' ' ' VAL . 97.3 mttt -58.47 -36.36 73.6 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.801 0.44 . . . . 61.21 111.582 174.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -75.6 -47.07 28.19 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.627 -0.508 . . . . 51.52 109.627 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.45 -53.6 35.39 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.279 1.031 . . . . 73.11 112.957 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 55' ' ' LEU . 11.6 m -88.29 -2.13 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 115.865 -0.607 . . . . 74.43 111.91 -172.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.97 -41.29 97.6 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.046 -0.724 . . . . 72.04 109.046 166.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -68.98 -13.02 62.21 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.762 -1.108 . . . . 74.03 111.562 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.27 -4.72 17.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.549 0.74 . . . . 75.11 111.363 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.62 30.19 75.98 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.956 0.742 . . . . 74.5 114.956 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -98.14 121.15 39.72 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.359 -0.978 . . . . 72.43 108.359 173.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.68 113.9 12.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.564 0.54 . . . . 72.25 110.294 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 19' ' ' LYS . 2.8 t -85.56 128.53 39.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.456 -0.793 . . . . 74.04 110.48 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -128.77 149.16 50.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.684 1.194 . . . . 64.24 108.339 168.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.09 132.07 27.78 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.883 0.873 . . . . 72.51 109.155 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.66 120.24 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.465 0.706 . . . . 74.33 109.628 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -100.29 -24.16 14.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.406 1.082 . . . . 74.23 111.22 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.23 142.47 50.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.94 0.496 . . . . 75.21 110.617 -168.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 m -65.62 -38.64 89.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.745 0.818 . . . . 73.13 112.384 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.04 -37.3 84.41 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.582 0.753 . . . . 44.22 110.516 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 35.5 mm-40 -71.47 -42.36 68.22 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.122 -0.944 . . . . 72.03 110.236 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.27 -56.28 13.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.592 1.157 . . . . 73.13 111.499 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.94 -37.55 79.87 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.133 0.896 . . . . 74.34 111.202 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.621 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 34.4 mtmm -71.78 -32.7 67.93 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.971 -0.558 . . . . 64.42 111.856 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . 30.3 mt-10 -85.02 -19.26 32.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.157 0.583 . . . . 44.4 111.62 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.451 ' HE2' HD12 ' A' ' 45' ' ' LEU . 9.6 mmt -68.32 -31.79 71.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.735 0.414 . . . . 62.44 109.994 167.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HE3' ' HA ' ' A' ' 40' ' ' LYS . 9.4 mtmp? -71.21 -45.52 63.15 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.741 -0.663 . . . . 72.13 109.228 172.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 4.1 mmmp? -52.49 -41.21 63.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.296 1.038 . . . . 62.5 112.769 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD12 ' HE2' ' A' ' 42' ' ' MET . 88.4 mt -62.96 -36.96 85.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.819 0.448 . . . . 60.14 111.586 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 123.859 0.864 . . . . 55.14 112.783 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 63.0 mmtt . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.056 -0.72 . . . . 64.44 109.056 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -110.44 131.44 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.74 -0.467 . . . . 74.31 109.74 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD21 HD12 ' A' ' 7' ' ' ILE . 7.6 tt -102.06 122.63 44.46 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 107.482 -1.303 . . . . 70.2 107.482 174.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.677 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.3 mm -108.46 122.87 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.039 -0.726 . . . . 71.22 109.039 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.9 mt -105.31 144.78 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.654 0.781 . . . . 73.13 109.42 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.1 t -142.64 154.38 44.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.806 0.843 . . . . 63.23 108.868 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -94.94 -26.11 16.26 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.269 0.557 . . . . 74.31 110.116 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -108.37 125.54 51.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.978 -1.01 . . . . 71.01 109.615 -167.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 49.9 mtmt -72.95 -24.48 60.8 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.14 -0.937 . . . . 54.12 112.372 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.3 -39.05 65.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.837 0.455 . . . . 72.44 109.824 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -58.11 -47.08 84.36 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 116.005 -0.543 . . . . 71.32 109.598 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 80' ' ' LEU . 7.3 tt -54.99 -43.47 73.58 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.751 -1.113 . . . . 61.23 111.753 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.75 -58.57 7.26 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.683 0.614 . . . . 75.11 111.193 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.21 -40.06 84.62 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.949 0.781 . . . . 52.42 111.12 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.5 tpp -53.3 -57.35 10.85 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.209 1.404 . . . . 71.43 110.456 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 71' ' ' ILE . 82.1 mt -67.37 -34.38 77.17 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.359 0.663 . . . . 74.43 112.652 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.72 -38.27 86.36 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.6 0.563 . . . . 61.12 110.819 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -73.94 -33.82 64.07 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.737 -0.665 . . . . 75.33 111.08 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.57 HD12 HD23 ' A' ' 68' ' ' LEU . 94.8 mt -65.25 -32.21 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.255 0.622 . . . . 64.35 110.512 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -63.68 -33.12 74.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.413 0.685 . . . . 72.01 110.479 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -77.77 -32.29 52.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.729 -0.669 . . . . 60.25 110.6 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 46' ' ' ALA . 81.1 mt -69.27 -33.79 73.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.375 0.67 . . . . 74.35 110.682 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.96 57.75 3.16 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.786 0.679 . . . . 72.51 112.435 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.96 154.72 38.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.028 0.531 . . . . 73.43 110.24 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -80.77 126.89 31.87 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.264 0.626 . . . . 70.31 109.99 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -107.46 132.71 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.888 0.475 . . . . 62.43 110.293 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.415 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 74.6 m-85 -114.79 114.16 25.2 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 107.079 -1.452 . . . . 75.51 107.079 165.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 64' ' ' LEU . 40.8 tp -109.15 132.76 53.81 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.409 0.684 . . . . 75.02 111.753 -168.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 29.0 tp -118.86 117.33 28.57 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.43 1.092 . . . . 52.0 108.688 174.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.87 112.15 24.24 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.841 0.456 . . . . 74.42 110.01 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 53.1 tt0 -101.53 105.1 16.03 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.08 -1.082 . . . . 74.54 108.08 173.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB3' HD22 ' A' ' 90' ' ' LEU . 22.0 t70 -153.87 129.96 10.34 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.321 -0.992 . . . . 71.41 108.321 -176.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -84.75 -14.0 49.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.277 0.631 . . . . 71.33 111.967 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.98 69.91 6.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.583 -0.895 . . . . 74.41 108.583 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 42.5 mt-10 -57.14 -19.19 18.65 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.977 1.103 . . . . 75.32 113.977 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.43 -54.12 41.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 70.41 109.905 172.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.22 -41.33 77.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.363 -0.835 . . . . 74.23 110.17 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 49.8 tp -65.44 -31.03 71.9 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 124.525 1.13 . . . . 74.22 111.846 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -66.64 -48.45 69.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.535 -0.543 . . . . 73.2 109.535 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.42 -47.99 81.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.768 -1.105 . . . . 71.32 110.323 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 71.1 t80 -58.72 -42.89 89.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.497 -1.229 . . . . 75.43 110.784 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.9 -51.97 64.88 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.913 -1.04 . . . . 51.11 110.691 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -60.26 -31.57 70.34 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.845 0.716 . . . . 75.42 112.007 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -57.65 -50.34 73.5 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.436 0.636 . . . . 74.34 110.156 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.7 mt -80.19 -27.56 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 114.339 -1.3 . . . . 73.51 111.598 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -73.3 -32.7 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.051 0.94 . . . . 72.34 109.539 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -74.32 -14.53 60.9 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.506 0.722 . . . . 35.11 110.967 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -86.24 9.74 16.77 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.624 0.769 . . . . 73.21 111.399 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.31 21.77 78.47 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 122.862 0.268 . . . . 71.51 113.69 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -96.11 144.98 25.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.884 0.474 . . . . 64.52 110.701 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -76.46 100.3 5.19 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.447 -0.945 . . . . 74.31 108.447 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.71 114.74 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.166 -0.309 . . . . 75.32 110.166 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.2 tpm_? -101.34 143.89 30.83 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.456 0.702 . . . . 74.2 109.558 174.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -95.94 145.17 25.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 123.754 0.822 . . . . 71.12 108.893 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 13.1 p -153.88 147.68 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.089 -0.708 . . . . 74.35 109.089 173.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.7 p -119.8 -28.91 5.12 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.416 0.686 . . . . 75.2 110.411 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.06 144.35 25.34 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.673 0.789 . . . . 71.32 110.885 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.57 -44.67 33.67 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.122 1.369 . . . . 73.2 110.93 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.85 -37.14 78.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.269 -0.878 . . . . 64.42 109.808 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 8.5 tp10 -61.36 -47.94 83.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.833 -1.076 . . . . 74.22 110.358 175.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.64 -44.97 66.46 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.212 0.945 . . . . 60.4 112.172 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.13 -39.58 69.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.809 0.844 . . . . 71.23 111.854 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -77.15 -32.72 56.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.404 -0.816 . . . . 73.51 111.316 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.668 HG21 ' HG2' ' A' ' 105' ' ' ARG . 24.2 mm -69.56 -30.99 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.491 0.186 . . . . 75.45 110.511 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.2 t -57.03 -38.82 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 123.014 0.526 . . . . 65.41 109.946 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -59.41 -38.76 81.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.124 -0.944 . . . . 73.42 111.358 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.87 -55.1 38.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.981 0.801 . . . . 75.3 111.071 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 27.4 m-85 -55.3 -47.79 75.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.009 0.818 . . . . 70.44 112.894 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.02 -38.88 92.7 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.263 0.977 . . . . 71.23 111.737 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -70.38 -41.47 73.03 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.581 0.752 . . . . 62.21 111.464 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.58 -41.83 68.53 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.693 0.797 . . . . 64.21 109.72 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.67 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.79 0.836 . . . . 71.0 111.077 172.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.26 0 CA-C-N 115.041 -0.981 . . . . 14.33 112.131 177.644 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 pttt . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.189 0.518 . . . . 64.23 111.358 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 77' ' ' LYS . 79.8 mt -107.83 133.63 52.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-N 114.893 -1.049 . . . . 62.52 108.833 177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.75 117.58 34.56 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.542 0.737 . . . . 74.15 109.541 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.18 103.46 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.667 -1.235 . . . . 74.33 107.667 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.42 126.69 36.59 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 106.781 -1.563 . . . . 62.05 106.781 -177.762 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.406 HD12 HD21 ' A' ' 55' ' ' LEU . 63.8 mt -131.32 125.31 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 121.218 0.532 . . . . 74.51 110.243 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.38 116.31 28.71 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.938 -1.504 . . . . 64.45 106.938 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.4 t -119.93 145.01 47.13 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.914 -0.773 . . . . 73.31 108.914 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.05 -28.19 54.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.633 0.773 . . . . 54.3 109.9 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -97.68 138.15 35.51 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.37 -0.832 . . . . 74.53 111.698 -170.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.59 -33.39 71.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.655 1.182 . . . . 74.33 110.956 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -39.56 81.38 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.504 -0.771 . . . . 75.41 110.728 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.4 mm? -67.75 -23.45 65.25 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.38 0.511 . . . . 62.53 112.38 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 57' ' ' ILE . 68.6 mt -57.24 -58.39 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 O-C-N 123.415 0.447 . . . . 73.23 109.862 171.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -71.84 -33.73 68.71 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.236 0.615 . . . . 53.03 112.425 -174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.83 -44.38 66.61 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.038 0.535 . . . . 64.52 111.2 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 22' ' ' VAL . 66.1 mt -61.55 -39.82 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 123.823 0.702 . . . . 73.44 109.499 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG2' HG21 ' A' ' 29' ' ' VAL . 96.8 mttt -56.49 -38.63 72.02 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 123.332 0.395 . . . . 72.35 111.645 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.8 mmpt? -68.72 -49.76 56.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.293 0.37 . . . . 72.24 111.207 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.3 mm-40 -50.39 -47.37 56.4 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.587 0.755 . . . . 75.32 112.001 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.568 HG12 ' SD ' ' A' ' 121' ' ' MET . 5.2 m -83.73 -21.25 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.268 0.627 . . . . 65.04 112.588 -173.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 36.9 tt0 -62.77 -39.17 93.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.786 0.835 . . . . 70.2 110.172 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -83.88 -1.58 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.165 -0.925 . . . . 54.05 111.74 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 32.2 mm-40 -110.17 -3.4 16.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.354 0.662 . . . . 64.1 111.754 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.24 32.81 55.19 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 114.28 0.472 . . . . 71.25 114.28 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 22.1 m-85 -109.63 109.32 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.678 0.791 . . . . 74.12 109.366 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -83.12 114.28 21.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.269 1.028 . . . . 74.34 110.936 -169.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HG2' ' A' ' 19' ' ' LYS . 44.5 t -81.96 141.4 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.23 0.612 . . . . 51.13 111.172 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB2' HD13 ' A' ' 56' ' ' ILE . 18.7 mmt85 -125.3 124.57 41.9 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.326 -1.361 . . . . 73.34 107.326 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -86.18 120.69 27.82 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 108.986 -0.746 . . . . 71.4 108.986 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.78 114.74 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.883 -1.154 . . . . 71.24 107.883 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -139.08 15.74 2.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.704 0.802 . . . . 64.33 110.262 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 21.6 t70 -145.05 150.52 37.01 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.166 -0.679 . . . . 61.04 109.166 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -55.36 -39.86 70.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.496 1.118 . . . . 71.15 112.975 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 29.6 m-20 -65.38 -39.42 92.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.108 0.563 . . . . 75.43 111.315 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 9.4 mm-40 -60.24 -41.51 93.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.347 0.659 . . . . 73.14 110.115 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.56 -51.52 69.07 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.925 -0.58 . . . . 72.13 110.902 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -64.18 -24.57 67.72 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.587 0.755 . . . . 62.0 112.109 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 31.8 mmmt -80.18 -55.93 4.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.182 0.593 . . . . 64.32 110.749 176.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.48 -36.3 76.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.174 0.589 . . . . 74.25 112.465 -169.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.1 mmm -68.65 -28.37 66.83 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.249 0.343 . . . . 73.23 111.519 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -74.73 -31.34 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.995 -0.526 . . . . 63.33 110.88 173.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -40.26 95.34 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.25 0.547 . . . . 73.4 110.21 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.86 -45.29 82.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.467 -1.242 . . . . 73.43 109.807 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.117 0 C-N-CA 123.953 0.901 . . . . 61.21 112.722 179.27 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 108.013 -1.106 . . . . 63.43 108.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.85 131.46 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-O 121.184 0.516 . . . . 65.15 109.784 -167.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 7' ' ' ILE . 8.5 tt -110.1 129.2 55.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.242 -1.392 . . . . 74.22 107.242 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.593 HG21 ' SD ' ' A' ' 67' ' ' MET . 22.1 mm -110.78 113.73 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.138 -0.69 . . . . 60.23 109.138 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -91.48 113.72 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.474 -0.936 . . . . 74.23 108.474 169.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -126.35 117.75 23.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.099 -1.075 . . . . 61.21 108.099 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -89.93 2.6 54.88 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.48 0.712 . . . . 75.23 110.531 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.05 120.49 42.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.089 -1.078 . . . . 74.03 108.089 172.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.91 -21.19 47.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.945 0.498 . . . . 72.35 112.163 -172.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 7.0 tp60 -68.74 -45.95 70.13 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.361 -0.607 . . . . 72.4 109.361 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.29 -42.97 87.76 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.037 0.836 . . . . 60.14 110.191 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 80' ' ' LEU . 6.2 tt -53.83 -47.88 70.47 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.96 0.788 . . . . 75.31 110.827 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -61.4 -50.28 73.49 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.769 0.828 . . . . 74.14 111.689 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 22.3 mm-40 -57.13 -47.05 82.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.625 0.726 . . . . 71.41 110.132 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.593 ' SD ' HG21 ' A' ' 56' ' ' ILE . 6.8 ttp -63.01 -40.84 98.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.447 -1.706 . . . . 75.42 111.876 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 73.7 mt -66.84 -37.68 84.94 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.62 0.368 . . . . 73.14 111.439 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.15 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.383 0.427 . . . . 73.33 110.745 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.23 -47.16 74.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.437 0.695 . . . . 74.01 110.963 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 67' ' ' MET . 74.1 mt -63.58 -34.29 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 123.69 0.796 . . . . 62.35 110.376 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -63.68 -41.86 98.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.671 0.788 . . . . 65.02 110.286 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.78 -25.64 56.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.296 0.638 . . . . 65.32 110.995 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.2 mt -79.28 -27.14 42.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.435 0.694 . . . . 71.41 110.872 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 39.89 26.87 Favored Glycine 0 C--N 1.347 1.167 0 C-N-CA 123.405 0.526 . . . . 62.21 114.344 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.441 ' HB2' HG23 ' A' ' 71' ' ' ILE . 29.0 m-85 -99.08 151.16 21.26 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 117.155 0.478 . . . . 72.33 110.37 173.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HB2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -70.21 133.89 47.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.518 0.727 . . . . 75.22 110.113 174.392 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 71' ' ' ILE . 58.0 t -117.22 121.47 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.216 0.607 . . . . 73.14 110.076 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -112.43 114.79 27.68 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 106.155 -1.794 . . . . 71.14 106.155 167.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 104' ' ' VAL . 61.2 tp -115.32 126.81 54.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.907 0.883 . . . . 74.45 110.581 -168.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 29.5 tp -110.68 116.55 31.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.789 0.836 . . . . 42.21 109.3 175.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.61 113.05 26.09 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.965 -0.754 . . . . 74.14 108.965 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 48.8 tt0 -106.01 109.56 21.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.791 0.436 . . . . 74.31 109.892 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 11.7 t70 -149.19 127.77 12.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.881 -1.155 . . . . 74.42 107.881 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -81.67 -7.52 59.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.333 0.653 . . . . 63.1 112.173 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.79 101.12 11.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 106.646 -1.613 . . . . 73.32 106.646 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 44.2 mt-10 -70.68 -12.96 61.88 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.523 -0.762 . . . . 63.31 112.778 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.14 -45.32 27.2 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.128 -0.693 . . . . 64.11 109.128 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.89 -39.9 79.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.189 0.595 . . . . 73.31 110.227 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 38.8 tp -63.97 -45.19 90.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.518 -1.219 . . . . 75.01 110.812 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.06 -47.97 82.31 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.774 0.671 . . . . 75.4 111.574 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.13 -43.47 92.0 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.056 0.847 . . . . 72.02 111.798 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -76.04 -31.67 58.95 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.224 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -67.96 -50.21 57.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.909 0.884 . . . . 61.42 109.468 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.63 -23.44 60.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.507 0.504 . . . . 75.51 111.457 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.4 -48.0 83.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.222 1.009 . . . . 70.24 111.004 172.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -86.85 -17.0 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 114.934 -1.03 . . . . 64.44 110.959 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.29 -34.37 73.66 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.462 0.705 . . . . 73.12 110.373 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 t -68.15 -23.06 64.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.209 1.004 . . . . 71.11 111.937 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.72 -20.74 64.41 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.324 0.65 . . . . 62.13 111.648 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.45 53.03 3.19 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.883 -0.487 . . . . 64.2 111.883 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -124.45 163.08 22.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.56 0.744 . . . . 72.44 110.173 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.51 98.04 5.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.395 -1.335 . . . . 75.21 107.395 164.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 94' ' ' LYS . 15.3 t -114.38 118.39 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 74.4 108.113 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -112.09 149.68 31.78 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.75 0.42 . . . . 71.32 110.562 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.98 146.61 24.47 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.114 0.966 . . . . 61.44 108.747 171.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 p -159.71 140.95 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 123.557 0.743 . . . . 73.43 110.146 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.0 p -125.12 -30.17 3.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.048 0.939 . . . . 52.34 110.54 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -90.92 148.1 22.68 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.494 0.718 . . . . 64.05 110.469 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.51 ' HB2' HD21 ' A' ' 14' ' ' LEU . 3.0 p-10 -72.31 -43.4 64.23 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.298 0.639 . . . . 63.11 111.697 -172.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 34.3 mt-10 -73.91 -36.24 64.7 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.38 -0.6 . . . . 74.12 109.38 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.4 tt0 -57.33 -40.18 77.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.354 1.034 . . . . 75.12 110.395 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.94 -49.92 74.17 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 123.961 0.788 . . . . 65.43 110.748 175.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 58.0 mt -58.41 -44.78 89.18 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.274 0.984 . . . . 61.14 110.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 2.9 mmmp? -63.44 -42.7 98.66 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.919 0.888 . . . . 52.05 111.279 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.1 mm -71.74 -32.9 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 123.506 0.504 . . . . 63.03 111.296 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 113' ' ' ALA . 45.4 t -63.68 -38.61 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 109.465 -0.569 . . . . 61.42 109.465 172.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 19.0 mtp180 -76.99 -18.78 57.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.349 0.66 . . . . 51.5 111.428 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -66.6 -54.74 20.25 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 108.477 -0.935 . . . . 74.34 108.477 164.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 21.8 m-30 -53.89 -47.33 71.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.514 1.126 . . . . 70.54 112.292 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.568 ' SD ' HG12 ' A' ' 22' ' ' VAL . 72.6 mtm -71.85 -39.18 69.89 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.072 0.858 . . . . 75.45 111.934 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.1 -43.84 94.13 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.37 0.605 . . . . 70.21 110.232 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.02 -41.77 63.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.722 -1.126 . . . . 74.32 110.197 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.86 79.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.341 0.656 . . . . 62.31 110.672 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.267 0 O-C-N 123.731 0.644 . . . . 72.12 111.808 176.861 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 108.25 -1.019 . . . . 55.04 108.25 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.434 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 39.6 mm -93.95 127.23 46.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 109.184 -0.673 . . . . 64.1 109.184 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.87 112.61 21.31 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.858 -0.793 . . . . 65.13 108.858 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 120' ' ' PHE . 24.9 mm -88.4 107.27 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 107.779 -1.193 . . . . 74.23 107.779 175.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.635 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.33 132.81 38.55 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 107.428 -1.323 . . . . 62.41 107.428 -179.39 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 81' ' ' LEU . 64.4 mt -134.97 134.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.325 0.65 . . . . 75.23 109.73 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.457 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 2.5 t-20 -109.96 110.25 21.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.72 -0.844 . . . . 72.2 108.72 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -128.57 133.78 48.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.978 -1.119 . . . . 73.33 107.978 163.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -83.58 -5.27 59.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.119 0.968 . . . . 71.33 110.269 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -109.18 127.28 54.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.242 1.017 . . . . 74.21 110.558 -174.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.57 -27.49 69.28 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.283 1.033 . . . . 63.51 112.349 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.56 -45.07 94.61 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.869 0.73 . . . . 62.43 109.841 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.5 mm? -72.73 -28.83 62.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.915 -0.564 . . . . 73.11 111.95 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.516 HD11 HD21 ' A' ' 59' ' ' ASN . 55.8 mt -59.31 -54.03 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.343 -0.614 . . . . 61.45 109.343 175.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 20.7 ptmt -72.56 -31.97 65.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.299 -0.864 . . . . 75.13 112.102 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -69.83 -42.83 73.09 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.877 0.471 . . . . 73.02 111.108 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.73 -34.86 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.708 0.63 . . . . 53.14 109.957 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.2 mttt -58.3 -40.1 81.09 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.245 0.341 . . . . 61.1 111.265 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 1.3 mmmp? -72.89 -44.91 60.74 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.821 0.449 . . . . 73.55 110.468 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -49.73 -53.46 24.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.356 1.062 . . . . 73.54 112.372 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 m -84.81 -15.4 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.49 -0.777 . . . . 73.33 111.638 -171.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.42 -40.58 74.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.549 1.14 . . . . 44.24 110.2 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -67.49 -35.36 79.0 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.099 -0.955 . . . . 60.25 110.732 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.18 -0.54 56.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.388 0.675 . . . . 75.01 112.0 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.1 52.22 43.27 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.162 0.825 . . . . 62.21 115.162 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.3 m-85 -113.95 119.33 36.87 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.762 -0.829 . . . . 64.2 108.762 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.61 105.81 12.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.337 0.655 . . . . 74.42 109.773 -175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.11 139.37 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.007 0.432 . . . . 62.11 110.866 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -125.27 145.54 49.96 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 106.141 -1.8 . . . . 74.23 106.141 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -125.73 140.04 53.03 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 118.17 0.441 . . . . 74.24 109.815 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.9 t -131.61 125.26 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.304 1.042 . . . . 72.15 110.15 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -130.08 10.11 5.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.438 1.095 . . . . 73.05 111.247 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.97 147.38 28.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.79 0.436 . . . . 74.0 109.959 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 p -59.47 -32.99 70.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.823 1.249 . . . . 75.31 113.028 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.53 -42.92 86.48 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.17 0.588 . . . . 61.03 110.193 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.38 -41.82 90.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 123.907 0.754 . . . . 55.33 110.072 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.13 -51.13 71.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.405 1.082 . . . . 72.31 111.958 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.45 -33.55 76.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.532 0.733 . . . . 73.12 111.011 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -66.96 -39.19 87.18 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 115.271 -0.877 . . . . 71.22 110.932 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -71.44 -27.73 63.48 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.23 0.331 . . . . 62.23 111.294 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 mmt -70.43 -28.3 64.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.469 0.308 . . . . 63.01 110.904 173.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.78 -51.66 46.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.229 -0.656 . . . . 63.22 109.229 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -48.49 77.36 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.281 1.033 . . . . 54.31 112.658 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.37 -39.3 86.71 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.677 0.791 . . . . 65.23 110.941 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 123.687 0.795 . . . . 73.1 111.801 -178.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 35.5 mmtm . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 109.709 -0.478 . . . . 55.01 109.709 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -108.85 132.39 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.901 -0.777 . . . . 74.41 108.901 -173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 22' ' ' VAL . 8.3 tt -105.22 129.72 53.53 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.399 -1.334 . . . . 54.3 107.399 176.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.635 ' HB ' HD22 ' A' ' 6' ' ' LEU . 25.7 mm -117.11 127.29 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.623 -0.881 . . . . 62.42 108.623 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 15' ' ' ILE . 66.0 mt -110.34 137.67 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.274 1.03 . . . . 71.31 108.283 173.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.5 t -136.89 122.31 19.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.995 -1.113 . . . . 62.23 107.995 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.516 HD21 HD11 ' A' ' 15' ' ' ILE . 1.9 m-20 -79.34 -9.78 59.67 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.12 0.568 . . . . 73.15 111.517 -178.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -113.91 130.21 56.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.855 -0.795 . . . . 61.33 108.855 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.21 -26.75 61.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.867 0.867 . . . . 72.05 112.669 -173.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -72.45 -41.89 65.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.908 -0.775 . . . . 74.31 108.908 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.93 -31.02 72.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.075 0.55 . . . . 71.51 110.462 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 80' ' ' LEU . 9.0 tt -65.19 -47.97 75.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.457 -0.338 . . . . 61.04 110.374 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.67 -50.35 74.21 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.174 0.59 . . . . 72.22 111.203 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.6 -47.27 76.77 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 123.955 0.784 . . . . 75.34 110.264 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 6' ' ' LEU . 44.6 tpp -52.06 -55.17 22.36 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.694 1.246 . . . . 62.12 110.512 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.23 -43.45 98.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.613 0.765 . . . . 54.51 112.328 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.79 -22.46 61.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.651 0.78 . . . . 73.22 111.005 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.31 -32.07 29.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.783 . . . . 62.11 111.541 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 67' ' ' MET . 91.2 mt -67.36 -27.99 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 109.371 -0.603 . . . . 52.41 109.371 173.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -60.83 -33.85 73.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.162 0.985 . . . . 74.14 110.981 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -73.84 -24.59 59.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.265 0.626 . . . . 74.4 111.036 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.06 -32.84 16.54 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.201 1.0 . . . . 75.4 111.572 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.48 1.64 Allowed Glycine 0 C--N 1.351 1.401 0 C-N-CA 123.231 0.443 . . . . 72.0 113.614 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -125.06 146.63 49.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.305 0.642 . . . . 73.02 110.357 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -79.93 108.72 13.73 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.934 -0.765 . . . . 62.15 108.934 173.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.6 137.54 24.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.123 -0.944 . . . . 72.32 110.534 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' HE1' HD12 ' A' ' 3' ' ' ILE . 77.4 m-85 -111.02 114.04 27.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.076 -1.453 . . . . 72.44 107.076 170.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 64' ' ' LEU . 38.5 tp -104.3 128.97 52.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.945 0.498 . . . . 74.24 110.867 -173.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB3' HG12 ' A' ' 7' ' ' ILE . 29.1 tp -115.99 112.62 22.08 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.469 1.107 . . . . 72.12 108.256 171.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -98.83 113.34 25.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.847 -0.797 . . . . 52.04 108.847 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.413 HE22 ' HG ' ' A' ' 14' ' ' LEU . 49.2 tt0 -102.57 116.9 33.53 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.504 -1.295 . . . . 74.24 107.504 171.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.483 ' O ' HD22 ' A' ' 90' ' ' LEU . 23.4 t70 -157.0 127.53 6.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.526 -0.916 . . . . 72.22 108.526 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -78.45 -16.21 57.81 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.936 0.717 . . . . 74.55 112.936 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -97.11 91.33 5.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.533 -1.284 . . . . 65.1 107.533 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.8 mt-10 -65.3 -15.01 62.07 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.076 1.139 . . . . 75.41 114.076 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.66 -50.02 59.93 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.015 -0.735 . . . . 65.2 109.015 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.18 -45.45 76.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.509 -0.769 . . . . 65.42 109.594 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 41.4 tp -57.43 -43.04 83.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.584 -1.189 . . . . 65.02 111.859 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.94 -51.5 54.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.194 0.598 . . . . 74.25 110.584 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -45.77 88.08 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.358 1.036 . . . . 64.32 111.151 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.75 -37.38 86.21 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.881 -0.599 . . . . 74.21 110.744 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -63.08 -56.03 20.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.338 1.055 . . . . 72.13 110.522 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.89 -25.7 65.63 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.96 0.787 . . . . 73.15 112.545 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.87 -48.25 66.64 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.239 0.615 . . . . 64.22 110.506 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.42 -29.07 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.726 0.81 . . . . 71.25 110.991 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.61 -40.87 98.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.471 -1.307 . . . . 73.23 107.471 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -70.91 -24.22 62.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.277 -0.874 . . . . 71.13 111.856 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -77.01 -3.52 39.45 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.036 0.535 . . . . 73.43 111.409 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.39 47.07 3.11 Favored Glycine 0 C--N 1.351 1.377 0 C-N-CA 122.654 0.169 . . . . 65.24 113.12 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -132.34 144.07 50.3 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.546 0.739 . . . . 75.33 109.936 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.95 97.49 6.06 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.51 -0.922 . . . . 73.11 108.51 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.71 139.15 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.241 0.616 . . . . 63.32 110.709 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.524 ' HG2' HG21 ' A' ' 116' ' ' ILE . 13.7 tpt180 -124.06 150.12 45.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.611 1.164 . . . . 75.33 108.693 175.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 56.4 mtpt -98.03 159.58 14.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.644 0.778 . . . . 75.15 109.62 172.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -165.14 148.4 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.989 0.916 . . . . 61.53 109.33 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -118.17 -36.73 3.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.961 0.904 . . . . 75.51 110.499 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.4 139.04 40.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.281 0.632 . . . . 43.04 109.7 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.0 p-10 -75.97 -33.37 59.77 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.505 0.503 . . . . 63.52 110.22 176.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.39 -42.55 96.07 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.895 0.747 . . . . 72.24 109.805 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' HG12 ' A' ' 116' ' ' ILE . 31.1 tt0 -80.2 -31.22 38.71 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.944 -1.026 . . . . 65.43 110.02 -175.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -51.33 -47.67 62.63 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 123.566 0.746 . . . . 73.21 110.458 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.516 HD11 ' HE2' ' A' ' 17' ' ' LYS . 56.4 mt -61.7 -39.63 92.14 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.627 1.204 . . . . 64.1 110.611 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.9 mmpt? -71.77 -25.65 62.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.594 0.758 . . . . 73.43 111.587 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 105' ' ' ARG . 26.9 mm -81.02 -30.22 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 N-CA-C 109.952 -0.388 . . . . 75.22 109.952 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 113' ' ' ALA . 39.6 t -61.88 -42.61 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.915 -0.402 . . . . 63.0 109.915 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 9.9 ptm180 -67.41 -25.44 65.94 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.389 0.431 . . . . 73.22 110.977 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 123.345 0.403 . . . . 55.54 109.975 173.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 5' ' ' ILE . 33.7 m-85 -59.57 -41.49 90.32 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.384 0.674 . . . . 73.13 112.114 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.8 mtm -67.48 -28.98 68.31 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.447 0.467 . . . . 71.22 111.409 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -78.14 -43.01 30.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.489 0.716 . . . . 71.14 111.477 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.86 -42.68 66.59 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.242 1.017 . . . . 75.12 111.008 -174.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.79 64.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.813 0.845 . . . . 74.22 111.081 171.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.535 0 O-C-N 124.46 1.1 . . . . 12.33 113.241 178.545 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? . . . . . 0 C--O 1.242 0.671 0 N-CA-C 109.4 -0.593 . . . . 55.42 109.4 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -99.73 136.02 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 109.005 -0.739 . . . . 71.23 109.005 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.6 mt -107.54 117.73 34.86 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.269 0.628 . . . . 60.14 109.885 -170.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 120' ' ' PHE . 27.5 mm -94.81 104.0 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.708 -1.219 . . . . 51.15 107.708 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -90.87 129.48 36.91 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.832 -1.544 . . . . 62.11 106.832 -178.548 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.56 132.57 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.157 0.583 . . . . 74.14 110.085 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' SER . 5.4 t30 -120.69 113.59 20.44 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.803 -1.184 . . . . 65.13 107.803 171.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 4.5 t -125.63 145.58 50.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.023 0.529 . . . . 73.3 110.377 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -73.53 -26.03 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.465 0.706 . . . . 74.41 110.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.81 131.01 55.45 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.088 -0.96 . . . . 61.2 112.121 -166.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.7 -21.8 66.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.006 -0.997 . . . . 73.02 110.718 170.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.42 -42.51 92.44 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.194 0.598 . . . . 75.34 110.062 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.1 mm? -74.49 -28.37 60.97 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 119.396 -0.335 . . . . 74.04 111.321 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.0 mt -58.56 -59.97 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.328 -0.619 . . . . 63.41 109.328 171.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -63.59 -37.56 87.79 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 123.611 0.569 . . . . 75.54 111.971 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.0 mtpt -70.68 -50.44 36.52 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 122.53 0.332 . . . . 61.15 111.875 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.12 -35.4 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 122.926 0.491 . . . . 63.23 110.69 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG2' HG21 ' A' ' 29' ' ' VAL . 60.8 mtpt -61.87 -37.31 84.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.717 0.407 . . . . 72.41 111.725 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.49 -49.46 59.52 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.431 0.457 . . . . 71.2 110.364 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 23.9 mm-40 -45.66 -54.24 8.07 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.562 1.164 . . . . 64.13 110.971 176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG12 ' SD ' ' A' ' 121' ' ' MET . 10.2 m -84.13 -20.51 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 115.415 -0.811 . . . . 72.03 112.553 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -68.33 -39.28 81.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.9 0.381 . . . . 72.43 109.997 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.75 -21.63 65.26 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.528 -0.76 . . . . 61.01 110.704 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.3 mm-40 -96.53 -7.29 34.96 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.738 0.815 . . . . 73.41 111.452 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.48 73.75 0.87 Allowed Glycine 0 C--N 1.35 1.315 0 C-N-CA 122.875 0.274 . . . . 33.15 113.551 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 55.2 m-85 -140.93 116.49 10.19 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.636 1.174 . . . . 74.3 108.604 174.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HB2' HD13 ' A' ' 54' ' ' ILE . 93.9 mt-30 -72.17 109.2 5.78 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.694 0.397 . . . . 72.1 110.434 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 19' ' ' LYS . 57.3 t -78.59 137.38 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.835 0.454 . . . . 74.2 110.067 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HB2' HD13 ' A' ' 56' ' ' ILE . 24.6 mmt85 -122.31 111.48 16.95 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.356 -1.35 . . . . 74.23 107.356 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.83 117.35 29.69 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.209 -0.663 . . . . 70.45 109.209 -174.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -120.48 116.72 51.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 124.85 1.26 . . . . 54.0 108.519 -174.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -118.5 -4.66 10.81 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.983 0.913 . . . . 74.44 110.549 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -139.66 145.04 37.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.631 0.772 . . . . 65.13 110.775 -170.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 59.3 p -57.5 -42.48 82.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.906 1.282 . . . . 62.13 112.805 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.9 -28.0 63.21 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.939 0.495 . . . . 73.34 111.204 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 10.9 mm-40 -80.0 -26.8 39.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.288 0.635 . . . . 74.35 111.352 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.66 -44.64 93.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.719 . . . . 72.32 109.47 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 35' ' ' SER . 30.6 mmmt -57.87 -28.64 64.34 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.933 -1.03 . . . . 74.14 111.422 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 40.9 mmtm -71.06 -60.6 2.14 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.208 0.603 . . . . 64.45 110.26 174.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -67.6 -28.54 67.84 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.701 1.001 . . . . 71.11 113.701 -164.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -36.0 82.35 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.782 0.433 . . . . 64.13 111.23 174.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.25 -38.4 75.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.877 0.471 . . . . 73.54 109.822 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -64.75 -36.47 84.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.133 0.573 . . . . 73.44 111.948 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -59.97 -29.85 68.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.102 0.561 . . . . 74.04 111.88 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 123.414 0.686 . . . . 72.5 111.432 179.701 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.365 -0.605 . . . . 64.21 109.365 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 28' ' ' GLN . 37.4 mm -119.01 140.8 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.261 0.624 . . . . 74.24 110.275 -175.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 9.9 tt -109.24 128.4 55.03 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.375 -1.343 . . . . 73.13 107.375 167.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.604 ' HB ' HD22 ' A' ' 6' ' ' LEU . 11.1 mm -109.25 126.96 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.243 -1.021 . . . . 73.11 108.243 176.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.1 mt -102.41 121.15 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.708 -0.849 . . . . 75.12 108.708 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 46.3 t -113.64 130.45 56.39 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.665 -1.605 . . . . 71.45 106.665 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.411 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -94.34 6.75 47.73 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.234 0.47 . . . . 55.15 111.353 -179.045 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.28 146.99 43.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.399 0.518 . . . . 71.1 112.399 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -68.8 -41.25 78.96 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.797 1.239 . . . . 72.21 111.81 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -67.08 -46.4 74.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.883 0.873 . . . . 31.31 109.252 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.77 -49.09 76.31 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.783 -1.099 . . . . 71.23 110.471 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 80' ' ' LEU . 8.7 tt -55.57 -41.91 73.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.988 0.915 . . . . 74.35 111.813 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.34 -53.4 49.32 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.511 0.507 . . . . 75.45 110.895 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -47.74 69.36 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.169 0.918 . . . . 71.43 110.385 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 6' ' ' LEU . 47.4 ttm -53.04 -51.98 59.98 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.212 1.805 . . . . 73.43 112.075 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD11 HD22 ' A' ' 80' ' ' LEU . 85.1 mt -64.79 -38.68 91.81 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.713 0.633 . . . . 72.51 111.962 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -70.38 -28.21 64.92 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.888 0.475 . . . . 72.02 111.14 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.65 -40.12 56.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.097 0.959 . . . . 53.45 110.673 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.79 -27.18 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.838 0.855 . . . . 74.3 110.666 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -64.13 -32.97 74.73 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.638 0.775 . . . . 55.11 110.1 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -73.62 -37.66 65.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.406 -0.816 . . . . 73.23 110.199 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.98 -29.07 68.01 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.508 0.723 . . . . 75.0 110.854 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.04 70.59 1.11 Allowed Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.977 -0.556 . . . . 24.13 113.753 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.16 158.23 36.09 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.48 0.712 . . . . 72.32 110.463 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.88 118.09 18.29 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.866 -0.79 . . . . 71.34 108.866 168.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 50.6 t -115.79 122.72 70.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.494 -0.776 . . . . 70.24 109.684 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -101.23 114.43 28.39 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.658 -1.608 . . . . 71.0 106.658 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 64' ' ' LEU . 48.4 tp -101.52 132.91 46.9 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.07 0.548 . . . . 73.03 110.508 -175.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 46.8 tp -118.09 113.84 22.2 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.156 0.982 . . . . 70.21 108.633 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.34 113.35 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.662 0.785 . . . . 75.35 109.625 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 53.4 tt0 -103.67 118.25 36.27 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.808 -0.812 . . . . 73.42 108.808 172.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -156.05 138.03 14.49 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.108 -0.701 . . . . 74.23 109.108 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -79.09 -22.7 44.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.258 0.623 . . . . 73.44 112.012 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -92.79 90.85 7.2 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.938 -1.134 . . . . 64.4 107.938 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.7 mt-10 -73.79 -16.79 61.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.876 1.065 . . . . 70.13 113.876 -165.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.04 -41.85 63.75 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.945 -0.761 . . . . 71.04 108.945 174.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.08 -36.5 64.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.207 -0.906 . . . . 74.31 109.994 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 34.3 tp -62.18 -44.36 96.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.436 1.094 . . . . 72.05 110.794 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.6 -45.98 77.4 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.418 0.687 . . . . 64.34 110.761 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -56.03 -52.57 63.77 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 123.762 0.664 . . . . 70.44 111.849 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.24 -38.95 91.2 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.597 0.759 . . . . 72.23 110.766 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.74 -52.57 62.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.193 0.997 . . . . 75.15 111.008 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -69.12 -25.92 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.653 0.612 . . . . 72.41 112.653 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -46.25 90.95 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.025 0.441 . . . . 74.02 110.017 171.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -81.32 -29.28 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.29 1.036 . . . . 52.31 111.598 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.01 -41.57 99.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.789 0.835 . . . . 54.14 109.554 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -70.3 -27.64 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.874 -1.057 . . . . 73.0 111.014 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.51 -17.85 64.82 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.112 0.565 . . . . 52.22 111.521 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.3 42.45 1.75 Allowed Glycine 0 C--N 1.349 1.286 0 C-N-CA 122.878 0.275 . . . . 64.32 112.505 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -119.29 138.26 53.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.444 0.698 . . . . 72.22 109.881 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -82.18 92.94 6.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.307 -0.998 . . . . 71.43 108.307 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.01 123.76 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.994 0.518 . . . . 63.42 110.939 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -106.37 152.63 23.33 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.765 0.826 . . . . 63.35 109.294 167.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 90' ' ' LEU . 38.3 mtmt -102.67 167.76 9.69 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.615 1.166 . . . . 74.35 109.361 174.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.68 153.35 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.651 0.781 . . . . 65.43 110.574 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.2 p -123.86 -29.5 3.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.232 1.013 . . . . 70.33 110.635 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.96 145.33 26.07 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.503 0.721 . . . . 74.12 111.76 -171.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . 3.6 t70 -61.66 -51.9 66.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.101 1.36 . . . . 74.42 112.468 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.23 -37.89 72.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.979 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.69 -33.4 75.8 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.379 0.425 . . . . 70.11 110.788 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.88 -47.14 83.61 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.459 0.474 . . . . 63.23 110.996 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 17' ' ' LYS . 52.0 mt -59.17 -39.58 82.94 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 124.054 0.846 . . . . 72.4 110.701 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 64.3 mttm -66.38 -44.97 81.65 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 114.745 -1.116 . . . . 71.34 110.696 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 42.7 mm -66.98 -33.6 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 121.995 0.118 . . . . 74.12 110.908 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 113' ' ' ALA . 90.2 t -66.92 -44.35 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.807 0.443 . . . . 75.14 110.626 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -69.55 -25.95 64.26 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.441 -0.207 . . . . 73.34 110.441 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 32.0 mm-40 -65.58 -53.78 37.07 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.699 -0.482 . . . . 74.43 109.699 169.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 5' ' ' ILE . 10.3 m-30 -56.03 -40.03 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.37 1.068 . . . . 75.41 113.128 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.632 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.1 mtm -70.48 -33.25 71.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.108 0.563 . . . . 61.42 112.006 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.55 -39.01 65.04 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.393 0.677 . . . . 74.53 110.704 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 62.6 mttm -68.34 -41.43 80.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.637 0.775 . . . . 75.34 109.77 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.21 -45.14 84.07 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.03 -0.986 . . . . 74.41 110.257 171.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.294 0 CA-C-N 115.021 -0.991 . . . . 61.34 113.13 -179.306 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.782 0.325 . . . . 72.13 110.743 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.435 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.2 mt -93.53 128.68 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.417 -0.957 . . . . 71.14 108.417 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 43.3 mt -111.41 135.24 52.25 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.855 -0.795 . . . . 54.01 108.855 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.54 103.36 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 107.319 -1.363 . . . . 62.54 107.319 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -88.49 115.15 25.8 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.005 -1.48 . . . . 61.24 107.005 -178.72 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.492 HD12 HD21 ' A' ' 55' ' ' LEU . 68.7 mt -116.89 132.31 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.924 -0.769 . . . . 54.34 108.924 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.0 t-20 -127.4 114.03 17.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.102 -1.073 . . . . 71.14 108.102 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -125.41 141.1 52.25 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.139 -1.06 . . . . 42.35 108.139 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -84.74 -15.62 44.47 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.753 0.787 . . . . 64.54 109.17 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.9 115.82 25.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 114.51 -1.223 . . . . 54.13 109.737 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.67 -40.72 93.13 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.65 0.78 . . . . 71.31 111.494 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.91 -29.91 70.41 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.912 -0.585 . . . . 74.24 110.978 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.4 mm? -72.6 -26.11 61.57 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.202 -0.427 . . . . 74.43 111.802 175.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG23 HG21 ' A' ' 57' ' ' ILE . 59.3 mt -63.16 -56.71 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 N-CA-C 109.206 -0.665 . . . . 74.5 109.206 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 22.8 ptmt -62.36 -30.58 71.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.267 0.469 . . . . 72.21 112.267 -175.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 27.4 mtpp -68.06 -58.92 3.71 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.073 0.549 . . . . 75.44 111.126 173.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 7' ' ' ILE . 82.3 mt -59.1 -35.07 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.772 0.829 . . . . 74.0 111.565 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.0 mtmt -56.93 -43.46 81.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.84 0.456 . . . . 64.41 110.714 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.16 -51.55 37.11 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 122.689 0.396 . . . . 72.43 110.586 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 15.0 mm-40 -48.66 -54.9 12.92 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 124.56 1.162 . . . . 74.05 112.186 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 m -84.43 -25.95 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.193 -0.912 . . . . 74.44 112.229 -166.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.3 tm-20 -65.03 -36.35 84.11 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.554 -0.906 . . . . 44.31 108.554 174.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -70.3 -27.71 64.61 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.228 -0.896 . . . . 53.44 111.289 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 11.7 mm100 -85.4 -0.15 53.95 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.02 0.528 . . . . 75.03 112.033 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.69 2.31 72.71 Favored Glycine 0 C--N 1.354 1.579 0 N-CA-C 114.701 0.64 . . . . 32.51 114.701 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -91.71 126.48 36.81 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.586 0.693 . . . . 72.33 109.685 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -76.11 112.26 12.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.486 0.714 . . . . 72.24 111.185 -170.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.25 119.62 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.091 0.87 . . . . 63.51 111.22 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -120.17 146.04 46.38 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.501 1.12 . . . . 64.14 108.468 170.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.19 118.77 22.94 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.474 -0.935 . . . . 74.12 108.474 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.92 115.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.714 -0.847 . . . . 53.41 108.714 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -127.19 13.0 7.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.692 0.797 . . . . 63.32 111.014 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.75 144.69 27.22 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.501 0.72 . . . . 73.4 110.837 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -41.79 98.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.286 1.034 . . . . 62.24 113.093 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -33.23 74.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.421 0.288 . . . . 74.15 111.259 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -63.56 -45.51 90.17 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.32 -0.622 . . . . 51.21 109.32 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 42' ' ' MET . 7.0 tt -56.9 -59.88 4.4 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.316 1.046 . . . . 63.25 110.947 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 52.4 mtmt -56.25 -39.04 71.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.131 0.972 . . . . 72.31 111.819 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -63.37 -51.79 64.41 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.703 0.627 . . . . 74.03 111.382 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.2 pt-20 -79.69 -17.94 52.45 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 119.459 -0.305 . . . . 73.03 111.692 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.48 -42.82 82.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.925 0.49 . . . . 54.53 109.935 170.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.7 mmtp -61.54 -43.94 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.435 -0.802 . . . . 71.13 110.103 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -59.62 -40.09 86.41 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.282 0.989 . . . . 72.33 112.229 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 90.9 mt -50.7 -44.0 57.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.609 0.568 . . . . 75.3 111.029 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 CA--C 1.549 0.927 0 CA-C-N 114.905 -1.043 . . . . 52.03 112.625 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 9.2 mptt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.983 0.42 . . . . 71.43 109.884 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.88 113.97 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.396 -0.82 . . . . 71.42 109.084 -172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 7' ' ' ILE . 7.7 tt -91.49 123.5 34.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.727 -0.842 . . . . 73.12 108.727 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 30.2 mm -100.73 140.46 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 108.633 -0.877 . . . . 75.3 108.633 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 15' ' ' ILE . 67.8 mt -120.56 122.34 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.64 -1.244 . . . . 74.13 107.64 167.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -131.83 137.94 48.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.885 -1.154 . . . . 72.53 107.885 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.19 -26.11 21.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.966 0.906 . . . . 63.02 109.365 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -95.15 133.89 38.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.322 -0.854 . . . . 63.34 110.457 -168.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.18 -37.77 66.41 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.363 -0.835 . . . . 75.23 111.497 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.3 -45.78 83.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.711 0.804 . . . . 64.45 110.467 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.3 -46.66 89.39 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.824 0.702 . . . . 70.33 110.499 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 80' ' ' LEU . 8.5 tt -52.39 -47.18 66.37 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.798 0.686 . . . . 62.21 111.389 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -59.66 -53.74 54.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.818 0.847 . . . . 64.42 111.771 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.36 -42.07 94.98 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.855 0.722 . . . . 72.44 110.915 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 6' ' ' LEU . 40.0 ttm -56.97 -55.52 33.59 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 124.732 1.27 . . . . 72.21 111.103 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.26 -37.38 87.27 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.928 0.768 . . . . 74.32 112.379 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 51.1 mt-10 -70.91 -34.4 71.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.063 0.145 . . . . 73.1 110.983 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.99 -41.78 81.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.119 0.568 . . . . 70.25 110.745 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 78' ' ' VAL . 97.7 mt -66.67 -30.14 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 123.723 0.809 . . . . 73.04 110.365 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 t -65.84 -37.84 87.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.485 0.714 . . . . 74.4 110.542 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 25.7 mmmt -77.6 -12.76 60.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.135 -0.484 . . . . 52.22 110.83 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 46' ' ' ALA . 90.1 mt -92.42 -36.02 13.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.831 0.852 . . . . 62.12 110.697 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.53 82.01 0.84 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.803 -0.635 . . . . 74.33 113.601 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HD2' HG23 ' A' ' 71' ' ' ILE . 58.8 m-85 -133.4 153.12 51.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.609 0.763 . . . . 73.12 110.365 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.02 104.87 10.88 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.072 -0.714 . . . . 75.41 109.072 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 4' ' ' LEU . 22.1 t -114.11 131.09 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 122.706 0.402 . . . . 63.14 110.759 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -101.47 115.73 31.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.21 -1.034 . . . . 74.2 108.21 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 64' ' ' LEU . 46.4 tp -98.67 134.46 41.56 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.084 0.469 . . . . 60.32 110.896 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 27.9 tp -122.11 125.86 47.12 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.883 0.873 . . . . 73.32 108.65 171.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.11 116.34 31.36 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.55 -0.908 . . . . 74.32 108.55 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.71 104.17 15.45 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 72.14 108.012 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 9.7 m-20 -137.0 117.87 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.621 -1.622 . . . . 62.33 106.621 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -70.27 -19.33 63.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.188 0.595 . . . . 73.41 110.454 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -94.55 113.73 25.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.339 -0.985 . . . . 72.12 108.339 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 33.5 mt-10 -75.93 -7.32 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.217 0.451 . . . . 73.34 112.217 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -68.88 -48.98 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.975 -0.75 . . . . 55.32 108.975 168.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.92 -37.14 62.13 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.653 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.62 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 16.1 tp -63.69 -54.36 36.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.708 1.203 . . . . 74.23 110.788 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.78 -50.52 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.668 0.605 . . . . 75.31 112.337 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 22.5 mm-40 -53.94 -52.79 59.5 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.627 0.579 . . . . 62.14 111.815 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 96' ' ' LYS . 30.9 t80 -71.38 -29.01 64.44 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.266 0.626 . . . . 75.42 111.121 -175.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HG3' HG12 ' A' ' 104' ' ' VAL . 26.0 ttpt -64.45 -58.86 5.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.398 0.679 . . . . 64.41 110.854 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -64.34 -23.35 67.26 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.93 -1.032 . . . . 55.22 112.943 -170.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.5 mttm -59.46 -54.39 47.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.748 0.785 . . . . 65.13 110.702 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mt -86.12 -16.68 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.414 1.086 . . . . 71.4 110.972 -171.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.88 -38.19 75.34 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.453 1.101 . . . . 73.42 110.134 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -72.44 -26.05 61.69 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.028 -0.987 . . . . 54.14 111.27 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -76.08 8.11 3.53 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.052 0.76 . . . . 72.21 113.052 -176.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.68 -6.84 82.82 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 113.883 0.313 . . . . 71.14 113.883 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.47 134.5 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.512 0.725 . . . . 74.42 109.895 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.74 95.31 1.11 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.078 -0.712 . . . . 70.24 109.078 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 94' ' ' LYS . 20.2 t -99.27 110.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 108.948 -0.76 . . . . 70.12 108.948 -176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -108.36 154.26 22.1 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.048 0.452 . . . . 73.52 110.373 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -95.12 157.29 15.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.48 1.112 . . . . 75.43 110.939 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.3 p -168.16 139.65 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 124.338 1.024 . . . . 75.33 109.605 161.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 p -107.98 -33.01 7.33 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.729 0.811 . . . . 72.05 110.218 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.61 146.21 28.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.56 0.744 . . . . 75.12 111.998 -174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.52 ' HB3' HD21 ' A' ' 14' ' ' LEU . 19.0 m-20 -72.02 -51.56 21.2 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.476 -1.238 . . . . 74.14 111.137 -176.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.2 -34.86 75.54 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.02 -0.991 . . . . 75.22 110.494 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 34.9 tt0 -73.46 -31.63 63.89 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.973 -0.537 . . . . 70.32 110.866 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.18 -43.15 52.26 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.297 0.373 . . . . 54.4 111.125 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.72 -42.34 98.82 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.267 1.027 . . . . 73.41 111.025 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.2 -31.41 71.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.252 1.021 . . . . 62.55 111.228 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 23.1 mm -78.12 -36.81 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.755 -0.461 . . . . 73.2 109.755 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 113' ' ' ALA . 82.0 t -57.68 -41.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 122.995 0.518 . . . . 72.4 109.738 172.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -58.18 -39.7 79.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.196 -0.911 . . . . 61.43 111.49 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 76.9 mm-40 -62.59 -47.01 85.67 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.557 0.535 . . . . 74.24 110.703 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.469 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.3 m-85 -61.37 -42.66 99.07 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.33 0.652 . . . . 73.12 112.697 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.3 mtm -70.02 -27.83 64.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.383 0.673 . . . . 74.33 111.254 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -74.88 -36.57 62.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 64.33 110.962 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 93.9 mttt -71.99 -41.04 68.1 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.339 0.656 . . . . 61.05 109.566 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.76 88.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.64 0.776 . . . . 75.34 109.924 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.595 0 O-C-N 124.172 0.92 . . . . 34.42 112.695 176.717 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttm . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.447 -0.575 . . . . 74.11 109.447 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.4 mt -103.51 121.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.949 -1.13 . . . . 72.4 107.949 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 63.8 mt -106.41 107.54 18.6 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.209 -0.663 . . . . 75.45 109.209 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 120' ' ' PHE . 29.4 mm -83.93 103.28 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.424 -1.325 . . . . 55.55 107.424 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.01 134.2 35.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.663 -1.606 . . . . 73.1 106.663 -176.398 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.483 HD12 HD21 ' A' ' 55' ' ' LEU . 68.4 mt -135.7 125.42 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 109.566 -0.531 . . . . 73.51 109.566 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.3 t-20 -108.04 111.84 24.1 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.407 -0.96 . . . . 72.32 108.407 169.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 t -127.51 138.11 52.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.985 -1.117 . . . . 75.15 107.985 166.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -88.07 -9.69 52.51 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.122 0.487 . . . . 71.21 109.739 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.6 112.37 22.23 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.169 0.988 . . . . 74.34 109.576 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.1 m-20 -56.69 -34.6 67.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.284 1.034 . . . . 74.14 111.577 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.61 -47.89 81.8 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.803 -0.635 . . . . 63.43 110.305 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.46 -29.34 69.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.236 -0.411 . . . . 74.33 111.353 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 57' ' ' ILE . 73.1 mt -60.78 -59.6 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.978 -0.379 . . . . 62.44 109.978 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -64.1 -34.84 78.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.414 0.686 . . . . 71.14 112.158 -175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.5 mtpp -69.13 -51.55 37.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.474 0.71 . . . . 73.11 110.837 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.93 -39.17 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 O-C-N 123.969 0.793 . . . . 61.22 110.522 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG11 ' A' ' 29' ' ' VAL . 92.9 mttt -51.26 -44.63 61.81 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.608 0.567 . . . . 74.43 111.331 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.4 mmmm -81.49 -46.3 14.73 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.798 -0.637 . . . . 74.11 111.742 -173.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 17.0 mm-40 -52.14 -49.95 62.72 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.599 0.76 . . . . 65.15 112.151 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 55' ' ' LEU . 5.5 m -82.47 -21.09 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.964 0.727 . . . . 73.14 112.964 -167.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -75.09 -16.27 60.57 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 122.852 0.095 . . . . 72.32 111.105 178.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.37 -32.4 73.82 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.569 0.543 . . . . 62.25 110.484 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -91.64 3.92 53.92 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.802 0.841 . . . . 70.03 111.877 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.36 39.52 56.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.173 0.429 . . . . 73.24 114.173 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.55 113.63 26.8 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.745 0.818 . . . . 71.13 109.076 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.6 109.5 4.34 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 124.05 0.844 . . . . 71.21 109.372 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 ' HG2' ' A' ' 19' ' ' LYS . 5.2 t -82.82 121.23 35.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.491 -0.777 . . . . 73.43 109.712 -174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.6 mmp_? -126.85 114.52 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.641 1.176 . . . . 73.22 107.901 176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -105.47 138.13 42.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.399 -0.593 . . . . 74.53 109.399 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 63' ' ' LEU . 87.8 t -119.93 116.42 50.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.901 -1.148 . . . . 73.13 107.901 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -101.66 -19.94 15.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.81 0.844 . . . . 74.32 110.0 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -147.67 154.74 40.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.905 0.482 . . . . 74.24 111.036 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 28.3 m -54.47 -33.58 59.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.115 1.366 . . . . 71.14 113.186 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 17.5 t70 -57.35 -47.36 81.81 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.425 0.69 . . . . 71.5 110.239 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.39 -41.82 88.78 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 114.485 -1.234 . . . . 71.43 110.615 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.05 -47.24 68.58 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.068 0.855 . . . . 50.33 111.204 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 35' ' ' SER . 29.1 mtpp -62.81 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.959 0.787 . . . . 72.02 110.513 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 46.2 mmtm -61.5 -47.68 84.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.63 0.772 . . . . 75.41 110.84 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -64.63 -41.07 96.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.099 0.96 . . . . 75.12 111.208 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.469 ' HE1' HG13 ' A' ' 71' ' ' ILE . 9.3 mmt -65.9 -32.82 74.55 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.433 0.693 . . . . 63.45 112.589 -176.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mmtp -66.13 -38.75 88.92 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 123.515 0.509 . . . . 74.34 110.372 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -33.32 74.36 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.718 0.807 . . . . 70.53 110.857 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.01 -35.23 50.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.731 0.812 . . . . 74.34 110.52 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 124.076 0.95 . . . . 74.14 111.51 178.079 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.698 0 N-CA-C 107.484 -1.302 . . . . 64.13 107.484 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 36.7 mm -96.7 132.48 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.79 -0.818 . . . . 62.11 108.79 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 22' ' ' VAL . 8.1 tt -105.17 117.29 33.62 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.216 -1.031 . . . . 75.23 108.216 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.2 mm -102.34 112.54 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.989 -0.745 . . . . 75.24 108.989 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -89.24 133.47 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 107.948 -1.13 . . . . 73.1 107.948 170.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -133.79 118.62 18.24 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 107.921 -1.141 . . . . 44.13 107.921 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -83.17 -22.16 33.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.953 0.501 . . . . 64.53 111.924 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 63' ' ' LEU . 21.8 t70 -105.59 141.07 37.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.862 0.865 . . . . 73.43 109.264 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -78.06 -31.22 50.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.564 0.746 . . . . 74.41 111.894 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -69.46 -36.74 76.87 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.959 -0.756 . . . . 74.23 108.959 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 32' ' ' VAL . 79.2 mt -58.89 -41.45 87.22 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 123.557 0.743 . . . . 75.25 110.968 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 8.0 tt -61.08 -47.58 85.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.693 0.621 . . . . 74.12 110.596 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.59 -52.02 66.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.592 0.557 . . . . 75.14 110.975 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.53 -46.71 70.25 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.286 0.991 . . . . 64.41 110.458 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.9 tpp -55.2 -56.36 20.81 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.525 1.141 . . . . 73.23 110.549 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 71' ' ' ILE . 74.6 mt -64.15 -35.26 80.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.757 0.823 . . . . 73.32 112.473 -173.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 43.3 mt-10 -67.08 -40.4 86.98 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.621 0.575 . . . . 64.31 110.563 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 42' ' ' MET . 82.8 mt -68.61 -32.34 72.14 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.418 0.687 . . . . 71.52 111.093 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' HE1' ' A' ' 42' ' ' MET . 77.2 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.106 0.563 . . . . 63.34 110.013 175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -62.0 -33.83 75.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.855 0.462 . . . . 55.2 110.235 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 75.1 mmtt -68.08 -40.42 82.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.553 . . . . 63.34 110.692 175.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.74 -74.65 0.21 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 63.42 110.058 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.15 69.11 0.19 Allowed Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.909 -0.477 . . . . 62.3 111.909 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -126.86 148.91 49.97 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.91 0.484 . . . . 75.2 111.649 -176.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.831 0.852 . . . . 71.22 110.469 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 71' ' ' ILE . 84.5 t -102.36 128.44 55.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.143 -0.48 . . . . 64.22 110.58 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.448 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 19.5 m-85 -114.79 114.59 25.77 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 106.293 -1.743 . . . . 63.52 106.293 170.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 6' ' ' LEU . 41.8 tp -107.14 132.49 52.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.694 0.798 . . . . 74.04 111.657 -168.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 35.9 tp -108.29 123.02 48.15 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.792 0.837 . . . . 70.23 109.098 166.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 90' ' ' LEU . 87.6 mt -106.11 113.34 26.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 123.825 0.85 . . . . 73.03 109.265 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -113.09 112.77 24.4 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.407 0.683 . . . . 74.35 109.2 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -155.94 143.2 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.522 -0.918 . . . . 71.41 108.522 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.79 -32.55 65.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.804 0.841 . . . . 71.42 111.762 -174.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.34 98.5 8.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.222 -0.658 . . . . 64.24 109.222 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -68.52 -38.39 80.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.059 0.544 . . . . 73.03 110.932 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.5 -48.19 76.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.598 0.759 . . . . 64.21 110.89 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.9 -34.97 77.68 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.793 -0.639 . . . . 74.53 110.17 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 82' ' ' LEU . 22.8 tp -70.82 -32.02 68.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.154 -0.93 . . . . 73.52 111.061 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 14.5 tp10 -56.78 -52.26 65.71 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.929 0.768 . . . . 51.52 110.09 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.24 -56.43 20.02 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.458 1.099 . . . . 75.12 110.829 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 27.4 t80 -53.4 -44.7 68.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.633 1.173 . . . . 74.41 111.308 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -40.66 91.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.188 -0.915 . . . . 74.42 111.063 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 13.7 mtp180 -62.09 -36.86 82.99 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.671 0.607 . . . . 64.01 111.766 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.06 -51.26 70.8 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.359 0.599 . . . . 65.03 110.066 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.408 HG21 ' CD2' ' A' ' 80' ' ' LEU . 42.8 mt -68.87 -26.36 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 114.687 -1.142 . . . . 75.31 111.828 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.01 -28.09 69.56 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.099 0.96 . . . . 61.03 111.078 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -74.29 -24.41 59.24 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.703 0.801 . . . . 61.04 112.097 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.19 -15.85 59.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.142 0.577 . . . . 71.14 112.159 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.91 57.77 2.97 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.838 0.132 . . . . 44.14 113.39 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.81 158.51 28.71 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.013 0.925 . . . . 74.45 109.254 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 92.5 7.66 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.224 -1.399 . . . . 65.32 107.224 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -105.78 113.34 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.559 -0.746 . . . . 50.22 109.339 -170.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -108.47 137.11 46.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.151 0.58 . . . . 72.51 109.588 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 8.6 mtpm? -97.12 149.51 21.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.798 0.839 . . . . 75.23 109.174 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.77 153.97 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.57 0.748 . . . . 75.43 109.92 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -117.51 -30.77 5.43 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 61.21 110.556 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 152.96 21.24 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 112.664 0.616 . . . . 72.24 112.664 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -55.57 7.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.446 1.498 . . . . 43.12 111.53 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.35 -43.62 90.31 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.206 -0.906 . . . . 73.45 109.42 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.5 mm-40 -61.63 -42.68 99.23 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.185 -0.916 . . . . 71.22 111.212 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.9 -52.2 44.29 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.177 0.923 . . . . 54.12 111.246 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.46 HD11 ' HE3' ' A' ' 17' ' ' LYS . 54.7 mt -59.44 -36.35 75.76 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 124.025 0.828 . . . . 75.24 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 95.8 mttt -70.54 -29.74 66.29 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.48 -0.782 . . . . 73.41 111.816 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 112' ' ' GLU . 21.3 mm -77.28 -34.23 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 N-CA-C 109.374 -0.602 . . . . 72.22 109.374 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.6 t -62.46 -43.08 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.93 0.492 . . . . 70.41 110.62 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 34.0 ptt180 -64.82 -25.51 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.365 0.415 . . . . 70.24 111.157 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 51.6 mm-40 -72.68 -41.31 65.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 122.842 0.457 . . . . 73.33 110.022 174.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 5' ' ' ILE . 30.7 m-85 -60.78 -43.73 97.7 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.231 0.613 . . . . 74.51 111.245 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.422 ' SD ' ' HB ' ' A' ' 22' ' ' VAL . 77.0 mtm -69.46 -25.06 63.9 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.611 0.764 . . . . 74.23 111.83 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.04 -40.71 68.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.057 0.543 . . . . 63.22 110.743 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.7 mttm -66.23 -52.12 50.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.724 0.81 . . . . 73.24 110.206 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.45 -34.12 75.4 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.487 -1.233 . . . . 75.23 110.856 -176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.155 0 CA-C-N 115.253 -0.885 . . . . 54.14 112.894 174.016 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.675 -0.491 . . . . 71.42 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.6 mt -110.6 119.08 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.762 -0.829 . . . . 61.41 108.762 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 58.4 mt -105.06 142.13 35.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.162 -1.051 . . . . 73.21 108.162 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.3 mm -114.12 102.66 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 106.946 -1.502 . . . . 43.44 106.946 172.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.649 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.37 127.93 37.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.462 -1.681 . . . . 71.02 106.462 -176.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.69 127.76 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.957 0.503 . . . . 42.43 109.689 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 58' ' ' SER . 25.2 t-20 -115.85 116.4 27.93 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.164 -1.05 . . . . 73.44 108.164 171.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -125.53 144.08 50.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.064 0.546 . . . . 71.21 109.746 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.19 -25.5 60.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.999 0.92 . . . . 71.24 110.6 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 14' ' ' LEU . 75.6 m-20 -106.48 128.64 54.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.929 0.891 . . . . 75.12 111.42 -169.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.17 -19.58 65.6 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.491 1.117 . . . . 70.23 112.045 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.46 -51.06 70.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.454 0.702 . . . . 64.25 109.869 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -64.36 -36.36 83.88 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.309 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 57' ' ' ILE . 55.0 mt -52.42 -59.58 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.161 0.584 . . . . 70.1 110.683 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.53 -32.22 69.59 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.533 -0.758 . . . . 72.41 112.398 -172.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.8 mtpt -74.84 -37.9 62.14 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.294 0.638 . . . . 72.31 112.063 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 117' ' ' VAL . 77.5 mt -62.87 -38.21 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.222 0.609 . . . . 61.24 110.264 173.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.6 mttt -53.78 -48.7 69.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.688 0.618 . . . . 64.13 111.048 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -64.66 -49.9 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.499 0.499 . . . . 62.43 110.612 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -44.38 -51.12 8.85 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.623 1.169 . . . . 53.24 112.649 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.4 m -88.56 -21.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.023 0.749 . . . . 75.45 113.023 -169.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -63.66 -35.49 80.72 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.178 0.513 . . . . 71.42 109.942 170.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -69.87 -14.36 62.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.161 -0.927 . . . . 73.04 111.572 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 21.6 mm-40 -110.73 4.76 20.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.248 1.019 . . . . 74.24 111.804 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.57 40.43 98.68 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 114.551 0.58 . . . . 63.42 114.551 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.6 m-85 -99.98 131.83 45.71 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.93 0.892 . . . . 72.43 109.316 173.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.9 mp0 -77.7 105.91 9.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.319 1.047 . . . . 54.25 108.896 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.8 t -82.02 131.64 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.506 0.722 . . . . 75.21 111.737 -170.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 41' ' ' GLU . 96.8 mtt180 -126.36 156.03 41.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.333 1.053 . . . . 75.33 109.725 165.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.86 125.28 17.66 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.165 -1.05 . . . . 74.44 108.165 166.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 38' ' ' LEU . 60.8 t -104.2 115.23 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.958 0.903 . . . . 75.31 108.573 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.68 -8.94 17.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.347 0.659 . . . . 71.52 110.906 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.95 146.02 30.88 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.291 0.567 . . . . 73.31 111.769 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -58.1 -30.56 66.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.642 1.177 . . . . 61.41 112.758 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.08 -45.59 86.88 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.338 0.655 . . . . 74.13 110.908 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -69.18 -42.19 76.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.365 -0.834 . . . . 72.22 109.412 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HB2' HG11 ' A' ' 32' ' ' VAL . 5.7 tt -55.71 -50.4 70.42 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.138 1.375 . . . . 75.34 112.628 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.562 -0.744 . . . . 74.43 111.459 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 32.2 mmmt -69.78 -55.29 10.26 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.817 0.698 . . . . 75.24 110.444 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 10.6 pt-20 -68.79 -30.83 69.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.193 0.812 . . . . 75.53 113.193 -161.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.508 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -68.98 -38.0 79.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 75.23 111.444 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.79 -33.24 70.54 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.37 -0.377 . . . . 73.43 109.998 175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.8 mmmm -64.68 -37.01 86.11 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.833 -0.621 . . . . 52.23 110.583 176.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD12 ' SD ' ' A' ' 42' ' ' MET . 82.4 mt -57.92 -37.12 73.49 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.471 0.708 . . . . 65.44 112.085 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.871 0 CA-C-N 115.272 -0.876 . . . . 74.33 111.448 175.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HG3' ' HB ' ' A' ' 3' ' ' ILE . 1.5 mppt? . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 108.16 -1.052 . . . . 71.24 108.16 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 28' ' ' GLN . 21.3 mm -101.17 112.33 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.527 -1.286 . . . . 74.42 107.527 -176.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -93.17 126.7 38.41 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.244 -1.021 . . . . 75.5 108.244 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.649 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.9 mm -110.75 112.27 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 108.997 -0.742 . . . . 72.21 108.997 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HG23 ' A' ' 15' ' ' ILE . 59.7 mt -92.42 127.59 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.236 -1.024 . . . . 71.23 108.236 169.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.8 t -135.86 116.5 13.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.614 -1.254 . . . . 60.33 107.614 173.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.16 -20.44 62.29 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.652 0.781 . . . . 71.44 110.898 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.26 134.89 49.68 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.978 0.911 . . . . 73.32 110.518 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 60.9 mttp -78.46 -25.54 45.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.301 0.641 . . . . 74.35 112.25 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 34.2 tt0 -65.75 -46.23 79.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.329 -0.619 . . . . 74.25 109.329 177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.06 -41.96 84.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.491 0.716 . . . . 73.3 110.728 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 80' ' ' LEU . 6.6 tt -58.63 -38.7 78.64 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.954 0.502 . . . . 74.04 111.316 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 58.7 mtpt -66.49 -48.87 68.46 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.097 0.559 . . . . 75.44 111.028 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 10.8 mm-40 -54.81 -44.56 73.91 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.135 0.897 . . . . 72.31 109.968 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.591 ' HG2' HD21 ' A' ' 6' ' ' LEU . 48.0 tpp -61.22 -47.57 85.48 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.637 -1.62 . . . . 61.23 111.685 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' ILE . 97.3 mt -66.21 -36.16 82.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.319 0.648 . . . . 73.22 111.238 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 42.2 mt-10 -67.26 -34.14 76.81 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.795 -0.639 . . . . 74.43 110.387 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.71 -37.87 79.83 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.711 0.404 . . . . 63.05 110.819 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.605 HD13 HG21 ' A' ' 78' ' ' VAL . 98.7 mt -65.32 -32.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.425 0.69 . . . . 62.42 110.009 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -67.4 -23.21 65.54 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.66 0.784 . . . . 75.41 111.468 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.4 mmmm -83.8 -30.91 26.19 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.466 0.706 . . . . 72.12 111.235 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -94.06 -60.67 1.69 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.385 0.674 . . . . 65.44 110.569 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.14 84.98 1.72 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.548 -0.751 . . . . 54.21 111.575 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -131.44 152.75 50.4 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.655 0.782 . . . . 70.12 110.927 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -76.26 94.07 3.5 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.873 -0.788 . . . . 75.45 108.873 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 71' ' ' ILE . 85.2 t -102.43 126.86 56.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 123.646 0.779 . . . . 64.2 110.995 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.42 114.58 28.97 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.24 -1.392 . . . . 72.01 107.24 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 64' ' ' LEU . 37.8 tp -102.1 124.33 47.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.161 0.584 . . . . 74.13 111.377 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.8 tp -106.35 122.03 45.42 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.729 -0.841 . . . . 74.23 108.729 168.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 90' ' ' LEU . 86.7 mt -106.94 112.78 25.89 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.073 0.949 . . . . 73.34 109.075 172.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -109.28 117.83 35.1 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.219 -1.4 . . . . 55.11 107.219 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 90' ' ' LEU . 23.0 t70 -154.61 153.74 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.374 -0.602 . . . . 73.35 109.374 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.4 -19.98 25.86 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.33 0.652 . . . . 65.12 111.278 -172.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -109.1 85.44 2.1 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.93 . . . . 74.23 108.772 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.1 mt-10 -81.69 -12.02 58.82 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.638 1.347 . . . . 65.31 114.638 -168.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -71.68 -43.38 66.1 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 108.932 -0.766 . . . . 73.22 108.932 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.37 -39.08 74.8 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.879 -1.055 . . . . 75.35 109.545 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -63.48 -37.18 86.3 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.117 -0.947 . . . . 51.44 112.055 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 7.3 tt0 -72.18 -37.15 69.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.671 0.388 . . . . 65.1 111.254 -176.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HA ' ' HE ' ' A' ' 95' ' ' ARG . 16.8 mm-40 -64.22 -31.93 73.32 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 75.23 111.563 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -79.52 -36.89 37.79 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.133 0.973 . . . . 72.11 110.824 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 22.8 ttpp -61.92 -55.71 26.8 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.936 0.895 . . . . 75.52 111.489 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 43.6 ptt85 -57.34 -24.12 53.19 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.405 1.066 . . . . 74.3 112.703 -170.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.4 -51.37 37.21 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.298 1.039 . . . . 73.1 110.788 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.0 mt -67.23 -39.06 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.798 1.239 . . . . 55.44 110.752 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.24 -29.72 67.71 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.132 -1.395 . . . . 72.24 110.942 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -74.14 -19.44 60.57 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.437 0.695 . . . . 73.12 110.917 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -86.26 0.3 54.12 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.81 0.844 . . . . 61.32 111.983 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.67 54.47 2.93 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.842 0.135 . . . . 70.2 113.189 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -123.11 142.82 50.47 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.53 -0.915 . . . . 73.41 108.53 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.96 92.08 4.9 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.734 -0.839 . . . . 75.12 108.734 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 20.2 t -106.18 131.05 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.466 0.706 . . . . 74.23 110.165 -174.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -126.76 148.47 49.9 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.979 0.912 . . . . 75.23 110.001 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 10.0 mtpm? -112.35 148.93 33.22 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.716 0.806 . . . . 74.25 110.555 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.99 145.63 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.183 0.593 . . . . 74.22 111.343 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 p -106.76 -35.84 6.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.948 0.899 . . . . 72.22 110.568 170.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.79 142.08 35.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.402 0.681 . . . . 71.4 110.585 -168.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -70.9 -41.11 71.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.273 0.629 . . . . 71.43 111.565 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 66.3 mm-40 -64.01 -49.33 72.86 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.792 0.437 . . . . 73.33 110.224 176.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.8 tp10 -64.63 -34.22 77.78 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.988 0.805 . . . . 74.34 111.704 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.06 -48.37 78.72 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.984 0.514 . . . . 75.1 110.562 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 17' ' ' LYS . 64.6 mt -60.92 -37.44 82.3 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.172 0.92 . . . . 51.22 110.759 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 33.0 mmtp -64.05 -42.09 97.15 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.445 0.698 . . . . 70.24 110.858 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.1 mm -70.17 -30.1 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.676 0.61 . . . . 73.53 111.111 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.0 t -63.95 -43.1 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.677 -0.49 . . . . 71.3 109.677 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -65.36 -31.34 72.4 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.637 0.775 . . . . 71.5 111.223 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 35.0 mm-40 -66.59 -47.91 71.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.22 0.608 . . . . 73.42 110.165 174.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 5' ' ' ILE . 20.5 m-30 -61.42 -38.56 87.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.371 0.668 . . . . 71.52 111.929 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.647 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.8 mtm -68.01 -33.05 73.88 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.244 0.618 . . . . 75.22 111.775 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -51.06 60.52 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.533 0.733 . . . . 64.43 109.755 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 57.4 mttm -60.48 -48.21 82.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.192 -0.913 . . . . 60.34 109.933 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.3 92.8 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 114.653 -1.158 . . . . 44.41 110.851 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.669 0 O-C-N 123.812 0.695 . . . . 53.44 113.078 179.124 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HE2' HD21 ' A' ' 4' ' ' LEU . 15.1 ptmt . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.321 1.23 . . . . 73.22 114.321 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.513 HG12 ' HB3' ' A' ' 77' ' ' LYS . 68.2 mt -94.77 122.2 46.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 113.883 -1.508 . . . . 73.42 109.473 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.525 HD21 ' HE2' ' A' ' 2' ' ' LYS . 65.0 mt -103.75 145.73 29.66 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.981 -0.748 . . . . 52.34 108.981 171.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.1 mm -105.26 103.71 15.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.331 -1.729 . . . . 55.54 106.331 168.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.72 118.04 30.3 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.622 -1.622 . . . . 74.32 106.622 -174.461 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 18' ' ' ILE . 69.6 mt -127.68 122.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.408 -0.59 . . . . 72.52 109.408 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.6 t30 -114.59 112.48 22.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 107.199 -1.408 . . . . 71.24 107.199 169.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -126.12 144.29 50.8 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.992 -0.744 . . . . 71.22 108.992 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -80.45 -24.56 39.46 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.658 0.742 . . . . 72.54 109.032 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.29 115.65 19.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.796 -1.093 . . . . 52.03 111.366 -171.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.04 -37.62 77.41 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.911 1.285 . . . . 51.32 111.63 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.83 -45.1 95.29 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.164 -0.926 . . . . 64.42 110.738 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.4 -32.92 74.8 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 119.174 -0.441 . . . . 75.13 111.824 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.5 mt -54.22 -66.51 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 123.98 0.8 . . . . 74.21 109.608 175.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.02 -34.21 77.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.887 0.875 . . . . 72.11 112.844 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -66.78 -50.63 62.05 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.228 0.611 . . . . 72.33 110.906 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 7' ' ' ILE . 94.8 mt -62.43 -35.78 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.598 0.759 . . . . 64.41 110.55 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.2 mtpt -54.66 -46.29 73.97 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.127 0.571 . . . . 72.24 111.397 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.76 -41.9 51.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.825 0.45 . . . . 74.33 110.736 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -46.8 -53.97 10.84 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.453 1.096 . . . . 63.42 111.98 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.519 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.5 m -84.94 -24.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 114.95 -1.023 . . . . 63.32 111.759 -171.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.1 -41.17 87.49 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.685 0.794 . . . . 75.12 110.042 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -68.51 -28.98 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.977 -1.01 . . . . 74.24 111.22 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.33 1.32 55.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.637 0.775 . . . . 64.35 112.535 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.45 17.43 71.2 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 114.789 0.676 . . . . 73.04 114.789 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 18.6 m-85 -99.27 97.69 8.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.193 -1.04 . . . . 61.14 108.193 176.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -61.67 119.92 9.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.901 0.881 . . . . 71.24 110.33 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.612 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.4 t -75.65 131.81 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.107 0.963 . . . . 74.51 110.497 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -128.75 130.04 46.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.967 -1.494 . . . . 75.15 106.967 166.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.67 137.01 55.03 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.804 -0.813 . . . . 73.0 108.804 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 38' ' ' LEU . 75.2 t -127.28 118.98 51.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 124.238 1.015 . . . . 74.12 108.653 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -120.12 7.59 10.84 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.617 0.767 . . . . 73.42 110.717 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 23.9 t70 -146.06 141.48 27.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.03 0.532 . . . . 72.43 111.055 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 17.9 m -56.35 -42.42 77.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.372 1.069 . . . . 73.12 113.104 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.3 m-20 -61.86 -41.78 98.26 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 110.339 -0.245 . . . . 72.25 110.339 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 45.5 mt-10 -61.39 -39.33 90.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.268 0.627 . . . . 72.14 110.635 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' HG11 ' A' ' 32' ' ' VAL . 7.8 tt -57.99 -52.15 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.218 0.949 . . . . 64.3 111.442 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.9 mtpp -69.84 -36.59 75.69 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.837 -1.074 . . . . 74.43 110.019 -174.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.1 mmtp -62.05 -44.17 97.27 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.3 0.64 . . . . 63.43 110.713 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.2 -48.74 80.13 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.153 0.981 . . . . 73.15 110.373 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -71.64 -22.52 61.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.516 -0.766 . . . . 72.05 112.37 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 mmmm -66.83 -43.32 84.07 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.645 -0.502 . . . . 74.53 109.645 170.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 29.8 mmmt -71.43 -33.69 69.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.071 0.548 . . . . 55.42 111.014 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.34 -40.01 81.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.396 0.678 . . . . 64.22 109.625 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 123.475 0.71 . . . . 64.4 111.084 177.118 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.052 0.453 . . . . 74.33 110.518 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -124.93 117.67 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.207 -0.906 . . . . 63.3 108.713 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -90.45 127.52 36.24 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.647 -1.242 . . . . 63.24 107.647 169.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.622 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.4 mm -104.48 112.48 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.014 -0.735 . . . . 63.03 109.014 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 15' ' ' ILE . 68.8 mt -92.28 130.69 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.054 -1.091 . . . . 73.12 108.054 168.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -143.79 130.61 20.36 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.05 -1.463 . . . . 61.01 107.05 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -93.66 -5.78 47.86 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.961 0.504 . . . . 74.33 110.536 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -110.16 115.66 30.14 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.02 -1.104 . . . . 65.24 108.02 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.07 -17.83 61.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.293 0.637 . . . . 62.41 112.073 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.87 -42.19 70.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.344 0.657 . . . . 71.23 109.621 171.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.52 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.93 -0.577 . . . . 74.15 110.091 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 93' ' ' PHE . 9.5 tt -60.9 -43.94 97.83 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.504 -0.317 . . . . 54.14 110.642 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -57.02 -50.09 73.79 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.345 0.658 . . . . 64.1 111.409 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -51.08 -51.09 56.71 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.99 0.916 . . . . 62.43 111.22 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 6' ' ' LEU . 46.7 tpp -58.52 -43.14 89.06 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.248 -1.342 . . . . 71.45 111.195 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.443 HD23 HD12 ' A' ' 71' ' ' ILE . 81.0 mt -69.39 -38.48 78.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.506 0.722 . . . . 44.52 112.215 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -57.81 -45.76 85.64 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.566 0.541 . . . . 72.02 110.154 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.62 -40.94 84.66 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.881 -1.054 . . . . 72.33 111.574 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.443 HD12 HD23 ' A' ' 68' ' ' LEU . 37.4 mt -58.84 -42.39 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 124.533 1.133 . . . . 62.44 110.72 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.4 t -64.89 -41.44 95.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.885 0.741 . . . . 51.43 111.03 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -76.03 -35.25 59.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.083 0.553 . . . . 71.31 111.346 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.55 -15.63 59.14 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.61 0.764 . . . . 64.01 110.995 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.74 39.46 85.99 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 123.615 0.626 . . . . 75.22 113.747 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.0 m-30 -81.97 138.44 34.93 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.481 0.312 . . . . 63.41 111.452 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.513 ' HB3' HG12 ' A' ' 3' ' ' ILE . 6.7 tmtm? -84.59 92.78 8.22 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 106.947 -1.501 . . . . 73.23 106.947 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LEU . 90.6 t -114.48 133.26 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.061 0.544 . . . . 70.51 111.686 -168.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -99.74 151.47 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.81 -1.181 . . . . 75.01 107.81 171.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 64' ' ' LEU . 63.6 tp -132.08 132.67 43.54 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.261 0.482 . . . . 63.41 111.789 -174.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 116' ' ' ILE . 45.1 tp -123.26 114.09 19.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.423 1.089 . . . . 65.41 108.699 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.81 136.24 40.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.759 0.823 . . . . 75.31 109.137 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -141.63 115.51 9.19 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.042 0.537 . . . . 61.12 109.817 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 43.7 m-20 -134.63 149.22 50.53 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.082 0.953 . . . . 72.02 108.452 172.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.84 -32.32 71.93 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.27 0.628 . . . . 74.31 109.822 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -90.4 96.53 10.7 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.434 -0.95 . . . . 71.51 108.434 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 31.3 mt-10 -74.9 -14.18 60.63 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.356 -0.838 . . . . 72.0 112.3 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.16 -55.61 11.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.531 0.732 . . . . 73.04 110.992 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.99 -34.12 75.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.832 0.453 . . . . 72.21 110.562 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 17.2 tp -61.56 -42.98 99.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.414 1.086 . . . . 72.22 110.706 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 19.5 tp10 -64.76 -54.29 33.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.268 0.627 . . . . 63.45 110.265 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.32 -58.25 6.08 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.318 1.011 . . . . 70.21 111.749 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' A' ' 64' ' ' LEU . 40.8 t80 -61.68 -33.36 73.84 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.093 0.957 . . . . 72.01 111.73 -175.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -61.29 -47.97 83.51 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.347 1.059 . . . . 64.31 109.759 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 61.9 mtp85 -61.21 -33.81 74.08 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.679 0.792 . . . . 74.44 112.575 -173.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 5.0 mptp? -63.53 -52.15 62.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.946 0.499 . . . . 74.04 109.762 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -73.06 -30.32 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 114.769 -1.105 . . . . 73.11 111.068 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.52 -38.73 90.51 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 108.708 -0.849 . . . . 62.45 108.708 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 t -73.31 -23.47 60.26 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.422 -0.808 . . . . 74.43 111.208 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 92.3 mt-30 -73.21 -10.71 60.06 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.378 0.671 . . . . 71.33 111.516 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.99 55.25 2.29 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.419 -0.672 . . . . 74.43 111.419 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.93 148.66 49.17 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.8 0.84 . . . . 72.23 110.474 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -75.2 93.22 2.79 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.494 -1.299 . . . . 74.45 107.494 167.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.61 118.34 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.38 -0.6 . . . . 75.1 109.38 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.413 HH11 HD12 ' A' ' 116' ' ' ILE . 23.5 mmt85 -111.03 132.64 54.05 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.786 -1.19 . . . . 75.14 107.786 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 14.3 ptmm? -111.98 147.31 36.2 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.529 -0.545 . . . . 74.5 109.529 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -155.51 159.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 122.792 0.437 . . . . 73.12 110.735 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -141.72 43.92 1.72 Allowed 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 107.5 -1.296 . . . . 72.42 107.5 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.48 133.92 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.361 -1.291 . . . . 52.0 109.603 -174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.16 -47.04 47.26 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.132 0.789 . . . . 73.54 113.132 -170.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.23 -33.79 63.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.666 0.387 . . . . 64.23 110.348 -175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.2 tp10 -64.71 -40.47 95.41 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.674 0.609 . . . . 75.44 109.64 173.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -48.36 82.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.573 0.546 . . . . 55.2 111.755 177.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.484 HD11 ' HE2' ' A' ' 17' ' ' LYS . 93.5 mt -57.72 -38.33 75.11 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.421 0.688 . . . . 61.22 110.426 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 71.2 tttt -62.69 -46.2 89.27 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.995 -1.002 . . . . 74.14 110.691 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.584 HG21 HD13 ' A' ' 81' ' ' LEU . 46.3 mm -58.16 -42.36 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.258 0.623 . . . . 74.03 110.942 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.2 t -65.81 -41.11 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 115.441 -0.799 . . . . 65.51 110.482 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -67.62 -30.05 69.52 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.018 0.527 . . . . 65.22 111.403 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 47.7 mt-10 -66.7 -46.12 76.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.216 0.606 . . . . 64.13 109.482 173.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 5' ' ' ILE . 18.6 m-30 -60.24 -45.52 92.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.201 1.0 . . . . 74.23 112.634 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.519 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.0 mtm -67.29 -29.03 68.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.404 0.682 . . . . 63.14 111.418 177.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -71.56 -38.32 70.98 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.688 0.795 . . . . 63.03 110.979 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 64.0 mttm -66.23 -49.13 68.3 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.023 0.929 . . . . 72.31 110.055 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.41 90.45 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 114.866 -1.061 . . . . 74.15 109.843 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 CA-C-N 115.391 -0.822 . . . . 53.12 113.369 177.331 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.242 0.664 0 N-CA-C 109.326 -0.62 . . . . 65.22 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.74 124.46 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.419 0.688 . . . . 73.23 109.939 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.9 mt -117.01 110.29 18.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.852 0.861 . . . . 74.01 108.924 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.74 107.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.152 -1.055 . . . . 74.42 108.152 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.02 125.51 38.69 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.774 -1.565 . . . . 61.11 106.774 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.44 129.12 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.029 0.532 . . . . 70.13 110.093 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -120.85 115.7 23.76 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.414 -1.328 . . . . 74.21 107.414 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -125.45 144.24 50.62 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 108.789 -0.819 . . . . 73.51 108.789 170.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 84' ' ' ASP . 5.6 m120 -73.13 -27.72 61.84 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.155 -0.683 . . . . 71.54 109.155 174.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -96.42 113.64 25.24 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.525 1.13 . . . . 52.55 110.16 -170.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.0 -20.42 63.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.504 0.722 . . . . 74.23 112.331 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -55.0 -49.57 71.19 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.965 0.906 . . . . 64.22 110.635 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 110' ' ' ASP . 3.5 mm? -67.7 -31.13 70.88 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.456 -0.793 . . . . 63.55 112.016 179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 58.6 mt -55.18 -58.43 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 118.21 0.459 . . . . 73.14 110.272 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -67.13 -35.66 80.2 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.485 0.55 . . . . 73.04 112.485 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 114' ' ' LEU . 27.7 mtpp -71.3 -39.55 71.38 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.23 0.456 . . . . 74.4 112.23 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.73 -36.0 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.5 0.72 . . . . 53.12 109.909 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 96.9 mttt -55.28 -37.39 67.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.976 0.51 . . . . 74.12 111.54 175.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -70.7 -48.81 52.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.483 0.713 . . . . 71.22 111.024 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -52.07 -38.72 58.09 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.828 0.851 . . . . 73.4 112.462 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.721 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.2 m -100.07 -9.19 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 65.31 112.317 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.46 -46.34 89.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.133 0.973 . . . . 65.24 110.034 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -83.49 3.81 30.63 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.516 -1.22 . . . . 72.02 111.406 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 29.9 mm-40 -113.52 -2.24 13.92 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.046 0.938 . . . . 72.13 110.936 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 48.74 41.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 114.458 0.543 . . . . 71.51 114.458 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 43.5 m-85 -108.19 121.94 45.89 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.776 -0.824 . . . . 63.24 108.776 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -74.42 107.81 6.8 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.847 -0.797 . . . . 73.51 108.847 170.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG21 ' HG2' ' A' ' 19' ' ' LYS . 47.0 t -79.27 124.14 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.535 -0.543 . . . . 61.14 109.535 177.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 29.8 mmm180 -116.17 120.53 39.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.196 0.998 . . . . 73.21 109.122 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -98.12 118.98 35.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.47 0.708 . . . . 75.34 110.288 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.12 117.42 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.967 0.907 . . . . 73.23 109.449 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -131.11 5.58 4.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.98 0.912 . . . . 63.24 110.22 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.19 144.11 34.59 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.783 0.833 . . . . 71.43 109.909 -175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 19.1 m -69.47 -38.21 77.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.32 1.048 . . . . 70.34 113.132 -175.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.2 t70 -71.22 -34.09 70.5 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.799 0.44 . . . . 74.23 109.86 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.1 mm-40 -69.35 -33.21 72.75 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.636 0.585 . . . . 71.13 110.644 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.4 tt -58.78 -45.88 88.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.235 0.614 . . . . 64.14 110.404 171.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 10.2 mtmp? -65.61 -27.41 68.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.859 0.464 . . . . 74.35 111.551 178.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.58 -48.5 79.2 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.672 -0.492 . . . . 71.33 109.672 172.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.8 mm-40 -61.76 -51.74 67.1 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 124.359 1.037 . . . . 73.32 110.79 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 53.7 mmm -60.84 -29.02 69.25 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.871 0.732 . . . . 74.35 111.655 -173.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.3 -59.67 2.85 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.834 0.709 . . . . 63.23 110.194 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -63.56 -35.57 80.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.491 0.716 . . . . 72.12 112.617 -169.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.09 -38.55 83.27 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.609 0.764 . . . . 72.11 110.595 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.927 0 CA-C-N 115.689 -0.687 . . . . 60.13 112.275 -178.84 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 121.515 0.674 . . . . 73.24 109.576 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.33 150.87 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.134 0.973 . . . . 72.12 108.732 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 22' ' ' VAL . 9.0 tt -116.18 128.5 55.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.097 -1.075 . . . . 74.31 108.097 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.4 mm -115.95 123.24 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 N-CA-C 109.06 -0.719 . . . . 61.34 109.06 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.8 mt -107.16 132.49 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.983 -0.747 . . . . 74.41 108.983 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -131.03 119.94 22.73 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 107.288 -1.375 . . . . 63.12 107.288 172.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -70.37 -23.34 62.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.081 0.552 . . . . 63.12 110.808 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -102.47 116.12 31.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.437 -0.949 . . . . 72.12 108.437 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -78.18 -13.18 59.97 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.953 0.723 . . . . 73.35 112.953 -174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -68.0 -45.22 74.66 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.701 -0.852 . . . . 55.53 108.701 168.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.99 -36.63 84.18 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 115.823 -0.626 . . . . 75.53 110.639 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 80' ' ' LEU . 7.1 tt -57.12 -45.8 83.16 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.431 0.457 . . . . 73.51 110.464 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.71 -54.14 49.88 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.659 0.599 . . . . 62.31 111.06 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.78 -47.73 64.07 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 124.186 0.929 . . . . 65.43 110.492 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.602 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 43.8 ttm -62.42 -49.47 75.35 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.109 -1.405 . . . . 42.32 112.09 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 71' ' ' ILE . 87.5 mt -67.58 -29.95 69.44 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.049 0.54 . . . . 72.12 111.868 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.92 -35.53 72.3 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.975 0.51 . . . . 71.43 110.035 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.72 -31.86 63.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.999 0.52 . . . . 74.42 111.04 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.651 HD12 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -72.04 -30.26 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 109.497 -0.557 . . . . 61.21 109.497 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -65.52 -29.1 69.69 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.294 0.638 . . . . 70.21 110.388 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.63 -21.02 41.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.794 0.838 . . . . 72.22 111.059 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -91.08 -22.28 20.81 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.137 0.975 . . . . 74.25 111.37 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.25 26.13 71.47 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-O 119.284 -0.731 . . . . 41.24 114.874 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -81.11 148.19 29.73 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 117.729 0.764 . . . . 75.12 111.343 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -75.99 114.7 14.92 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.862 0.865 . . . . 74.55 110.349 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 4' ' ' LEU . 95.4 t -118.66 135.02 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.356 0.598 . . . . 72.22 111.984 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -112.07 117.61 33.11 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.091 -1.448 . . . . 72.32 107.091 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 64' ' ' LEU . 56.8 tp -104.34 121.84 44.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.744 0.418 . . . . 63.14 110.551 -174.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 tp -107.03 113.89 27.64 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.712 -0.848 . . . . 74.42 108.712 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 90' ' ' LEU . 90.9 mt -101.82 136.51 41.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.836 0.855 . . . . 42.02 109.294 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -138.38 106.67 5.78 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.697 0.799 . . . . 63.23 108.943 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.4 ' HA ' ' OD1' ' A' ' 10' ' ' ASN . 20.5 t70 -141.19 148.69 40.36 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.249 -0.887 . . . . 73.12 108.632 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.99 -41.07 99.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.327 0.651 . . . . 65.23 111.701 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.6 95.33 9.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.011 0.524 . . . . 70.14 110.216 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.51 -32.53 62.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.803 1.241 . . . . 73.05 113.26 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.42 -57.72 11.73 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.09 0.868 . . . . 71.2 110.96 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.4 -16.34 46.31 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.847 0.459 . . . . 64.31 111.452 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 26.3 tp -70.17 -38.22 75.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 54.52 110.258 174.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -77.19 -36.69 54.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.748 0.419 . . . . 74.43 110.522 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -53.52 -45.63 69.82 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.719 0.637 . . . . 62.35 111.062 170.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -74.25 -35.62 63.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.034 -0.985 . . . . 61.45 110.873 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 27.3 ttpp -61.21 -56.91 15.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.436 0.694 . . . . 63.51 111.148 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -60.78 -24.1 65.51 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.288 0.993 . . . . 75.42 112.995 -170.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -51.01 56.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.575 0.75 . . . . 72.33 110.845 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.75 -29.54 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 114.915 -1.039 . . . . 73.42 110.521 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -73.68 -30.87 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.846 -1.07 . . . . 70.54 109.743 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -74.25 -18.92 60.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.141 0.576 . . . . 72.34 110.677 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -75.03 -22.15 58.62 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.891 0.476 . . . . 65.12 110.382 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.35 47.53 1.05 Allowed Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.066 0.365 . . . . 71.35 112.657 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -126.27 138.23 53.59 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.137 0.975 . . . . 73.43 108.626 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.08 94.01 2.84 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.63 -0.878 . . . . 73.2 108.63 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 80' ' ' LEU . 22.8 t -102.96 117.68 48.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.119 -0.946 . . . . 74.42 109.121 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -110.0 147.27 33.83 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.648 0.779 . . . . 64.3 109.217 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.572 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 9.7 mtmp? -98.4 161.93 13.43 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.062 -0.517 . . . . 74.23 109.814 172.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -161.65 154.32 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 114.983 -1.008 . . . . 61.42 108.967 170.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.9 p -128.94 -25.26 2.81 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.115 0.966 . . . . 74.1 110.253 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.18 149.44 21.48 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.892 0.877 . . . . 71.54 111.63 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 14' ' ' LEU . 7.2 m-20 -64.26 -57.97 7.9 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.357 1.063 . . . . 74.51 112.655 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 38.4 mt-10 -67.14 -37.98 84.75 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.07 -0.514 . . . . 74.41 110.231 -174.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.81 -36.19 83.51 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 123.706 0.629 . . . . 70.43 111.212 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.32 -47.85 80.48 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.313 0.383 . . . . 72.44 110.512 175.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.609 HD11 ' HE3' ' A' ' 17' ' ' LYS . 45.4 mt -64.82 -35.21 80.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.003 0.815 . . . . 73.15 111.039 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 64.3 mttp -63.13 -48.06 80.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.747 0.819 . . . . 64.32 110.911 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -72.54 -28.3 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.148 0.579 . . . . 74.02 110.828 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.24 -46.04 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 109.594 -0.521 . . . . 61.05 109.594 170.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -68.22 -30.62 69.72 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.964 0.506 . . . . 63.3 111.252 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 51.7 mm-40 -65.55 -46.68 78.6 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 123.506 0.504 . . . . 64.1 110.042 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -62.28 -37.28 84.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.515 0.726 . . . . 72.34 112.298 176.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.721 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -73.4 -26.79 61.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.184 0.593 . . . . 72.54 111.522 176.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -69.71 -44.01 71.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.707 0.803 . . . . 75.23 110.153 173.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.2 mttm -67.45 -46.45 73.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.49 -0.777 . . . . 72.21 109.794 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.29 80.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.136 0.974 . . . . 63.2 110.695 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.175 0 CA-C-N 115.255 -0.884 . . . . 34.53 112.94 176.257 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 45' ' ' LEU . 68.3 mttm . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.847 -0.797 . . . . 62.3 108.847 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB1' ' A' ' 124' ' ' ALA . 47.2 mm -96.89 109.88 23.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.421 -1.326 . . . . 71.24 107.421 168.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HB2' HG22 ' A' ' 78' ' ' VAL . 71.4 mt -113.17 109.0 18.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.611 -0.885 . . . . 74.31 108.611 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.5 mm -88.49 102.24 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.781 -1.563 . . . . 74.14 106.781 173.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.34 130.14 35.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.464 -1.68 . . . . 73.24 106.464 -176.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 55' ' ' LEU . 70.3 mt -137.67 130.55 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 123.082 0.553 . . . . 61.21 109.521 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -114.7 109.22 17.88 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.682 -0.859 . . . . 73.13 108.682 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -129.05 125.78 38.02 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 108.042 -1.096 . . . . 71.53 108.042 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 59' ' ' ASN . 10.4 t30 -77.97 -13.52 59.85 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.217 0.607 . . . . 51.11 110.406 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -93.77 119.95 33.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.786 . . . . 71.3 109.913 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.65 -30.19 67.12 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.782 1.233 . . . . 63.11 112.451 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -57.0 -51.38 69.46 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.002 0.814 . . . . 74.52 110.018 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.33 -31.84 70.54 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.7 -0.667 . . . . 74.01 112.207 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 HG21 ' A' ' 57' ' ' ILE . 61.1 mt -54.71 -55.21 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 118.183 0.447 . . . . 72.21 109.889 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.13 -31.26 61.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 115.78 -0.645 . . . . 74.35 112.337 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -65.1 -50.99 63.94 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.238 0.615 . . . . 74.13 110.721 176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.38 -40.47 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.956 0.903 . . . . 64.21 110.258 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' HG11 ' A' ' 29' ' ' VAL . 96.8 mttt -53.81 -41.9 67.8 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 123.515 0.51 . . . . 70.4 111.769 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -78.36 -42.13 31.35 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.329 0.652 . . . . 70.53 111.912 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 114' ' ' LEU . 19.5 mm-40 -48.94 -45.77 42.27 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.848 0.859 . . . . 64.44 111.176 171.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 55' ' ' LEU . 5.6 m -94.39 -14.2 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.455 -0.793 . . . . 54.05 112.088 -173.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.49 -42.29 98.55 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.723 0.809 . . . . 73.53 109.952 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.84 -21.88 66.01 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.02 -0.991 . . . . 64.25 111.064 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -100.92 10.11 41.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.778 0.831 . . . . 73.2 111.773 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.77 23.35 78.13 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 115.965 1.146 . . . . 61.53 115.965 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.34 109.15 20.08 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 117.976 0.888 . . . . 74.54 109.3 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.46 104.85 2.42 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.132 -0.692 . . . . 70.33 109.132 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.6 t -82.18 132.72 30.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.024 0.44 . . . . 70.22 110.865 -174.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB2' HD13 ' A' ' 56' ' ' ILE . 11.9 mmt85 -126.18 111.93 15.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.997 1.319 . . . . 75.14 107.794 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.22 134.43 51.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.567 0.747 . . . . 71.15 109.266 -175.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -132.86 128.46 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.155 0.982 . . . . 53.14 109.557 -169.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -134.91 19.35 3.49 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.865 0.866 . . . . 75.3 110.496 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -145.72 146.28 31.19 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.693 0.797 . . . . 53.02 110.069 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.9 p -62.14 -43.94 97.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.315 1.046 . . . . 71.51 113.426 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 34.9 m-20 -69.01 -32.89 72.75 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.038 0.135 . . . . 62.44 110.92 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.66 0.384 . . . . 74.02 110.911 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -42.37 90.04 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.942 0.897 . . . . 74.13 110.621 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 52.4 mtpt -65.96 -39.34 90.34 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.978 -1.01 . . . . 71.32 111.114 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 73.8 mmtt -63.09 -49.12 75.73 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.236 0.614 . . . . 73.13 111.259 -179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 mm-40 -70.29 -35.51 73.77 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.259 0.624 . . . . 64.3 110.608 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.458 ' HG3' HD13 ' A' ' 70' ' ' LEU . 9.2 mmt -64.54 -35.75 81.98 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.367 0.667 . . . . 65.12 111.254 174.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -62.02 -40.0 94.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 123.502 0.501 . . . . 71.1 110.516 174.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -70.34 -36.39 74.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.799 0.439 . . . . 75.43 110.981 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 78.5 mt -64.55 -39.6 94.06 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.109 0.563 . . . . 63.44 109.869 175.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.019 0 C-N-CA 124.039 0.936 . . . . 45.33 112.252 -177.194 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.953 0.882 . . . . 72.32 109.939 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -112.5 141.04 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.479 1.111 . . . . 75.21 108.63 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 7' ' ' ILE . 9.3 tt -115.96 115.57 26.4 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 107.843 -1.169 . . . . 75.02 107.843 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 28.3 mm -97.33 120.57 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 108.728 -0.841 . . . . 75.24 108.728 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.481 HG21 HG23 ' A' ' 15' ' ' ILE . 75.1 mt -103.94 142.48 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.742 -0.836 . . . . 43.21 108.742 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 t -152.82 124.56 7.83 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.093 -1.077 . . . . 40.01 108.093 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 10' ' ' ASN . 33.8 p30 -82.29 -8.35 59.64 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.603 0.361 . . . . 72.13 110.536 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.25 116.25 31.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.517 1.127 . . . . 71.32 108.752 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -74.02 -21.64 59.89 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.638 0.607 . . . . 70.54 112.638 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 35.2 tt0 -65.96 -43.02 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 72.14 110.067 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.38 -33.63 74.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.041 -0.981 . . . . 65.44 110.696 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 5.3 tt -61.89 -40.89 96.97 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.245 -0.434 . . . . 71.1 110.741 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 53.8 mtpt -65.36 -49.39 69.54 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 71.41 110.473 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -54.98 -44.46 74.47 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.073 0.858 . . . . 64.01 110.802 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.512 ' HG2' HD21 ' A' ' 6' ' ' LEU . 42.8 tpp -56.15 -51.59 67.44 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.935 1.294 . . . . 71.31 110.118 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 68.8 mt -65.42 -36.27 83.43 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 71.34 111.94 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.07 -39.58 94.38 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.281 0.632 . . . . 72.42 110.792 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.458 HD13 ' HG3' ' A' ' 42' ' ' MET . 60.9 mt -70.2 -36.41 74.58 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.853 0.861 . . . . 73.31 111.264 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.748 HD13 HG21 ' A' ' 78' ' ' VAL . 83.0 mt -62.6 -43.12 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.028 0.931 . . . . 72.41 110.786 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -62.1 -27.45 68.93 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.518 0.727 . . . . 71.52 111.746 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.18 -40.94 62.19 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.641 -0.709 . . . . 72.51 111.182 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.03 -34.49 22.31 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.842 0.857 . . . . 73.23 112.521 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 83.7 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 123.457 0.551 . . . . 74.11 113.254 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -128.07 146.25 50.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.862 0.865 . . . . 75.04 110.449 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -76.15 95.68 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.297 0.639 . . . . 65.33 110.118 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 71' ' ' ILE . 89.8 t -106.34 127.08 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 124.014 0.926 . . . . 62.44 110.832 -175.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.3 m-85 -114.89 113.27 23.96 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.109 -1.441 . . . . 74.11 107.109 175.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 64' ' ' LEU . 37.7 tp -101.85 134.98 44.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.317 0.579 . . . . 52.21 111.254 -172.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -119.64 113.17 20.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.155 -1.054 . . . . 73.42 108.155 170.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 97' ' ' ILE . 94.9 mt -95.59 116.88 29.46 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.015 -1.106 . . . . 75.54 108.015 171.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -103.25 121.88 43.62 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.479 -0.934 . . . . 54.51 108.479 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 12.8 t70 -155.13 133.96 12.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.739 -1.208 . . . . 74.12 107.739 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -73.18 -18.64 61.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.251 0.62 . . . . 64.11 111.576 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.78 106.87 17.58 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.295 1.038 . . . . 74.22 108.466 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -22.16 66.17 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.372 0.878 . . . . 52.14 113.372 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.11 -60.49 2.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.642 0.377 . . . . 74.45 110.29 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.12 -26.52 62.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.348 0.659 . . . . 74.32 110.654 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 40.7 tp -60.87 -53.46 57.01 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.742 0.817 . . . . 74.4 111.031 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.89 -40.92 71.95 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.726 0.81 . . . . 75.33 111.053 -171.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 mt-10 -54.22 -44.39 71.63 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.562 0.745 . . . . 73.45 111.523 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -76.21 -35.23 59.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.297 0.639 . . . . 75.41 110.827 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.92 -51.14 69.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.154 1.382 . . . . 72.22 110.394 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.19 -29.36 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.981 0.912 . . . . 73.02 112.632 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 64.7 mttm -65.33 -48.56 72.63 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.252 0.621 . . . . 70.04 109.987 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.47 HD12 HD11 ' A' ' 82' ' ' LEU . 70.0 mt -72.53 -31.75 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 115.048 -0.978 . . . . 54.42 111.123 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.15 -30.46 69.6 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.053 -0.976 . . . . 74.14 109.828 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.9 t -79.43 -21.92 44.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.042 0.937 . . . . 73.41 111.279 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.04 -26.84 65.19 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.269 0.628 . . . . 75.12 110.865 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.49 37.08 1.5 Allowed Glycine 0 C--N 1.348 1.195 0 CA-C-N 116.134 -0.484 . . . . 72.14 112.154 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -116.32 137.44 52.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.415 0.686 . . . . 72.32 109.577 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.28 95.82 3.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.531 -0.914 . . . . 73.31 108.531 172.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.5 t -112.67 125.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.377 0.671 . . . . 74.44 109.842 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -105.91 156.42 18.38 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.411 0.684 . . . . 74.34 109.563 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -96.03 156.53 16.3 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.878 -1.056 . . . . 75.22 109.263 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -164.07 142.94 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.24 0.616 . . . . 74.31 110.723 170.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.3 p -111.72 -46.42 3.25 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.958 0.903 . . . . 71.1 110.105 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.35 149.82 31.59 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.306 0.642 . . . . 54.12 111.262 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.82 -38.35 62.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.44 0.696 . . . . 73.42 111.144 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.77 -39.07 80.4 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.06 0.457 . . . . 64.44 110.022 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.6 tt0 -67.47 -35.27 78.84 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.914 -1.039 . . . . 62.14 110.007 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.15 -52.54 63.99 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 123.997 0.811 . . . . 71.4 110.197 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.426 HD22 ' HG3' ' A' ' 21' ' ' GLU . 50.6 mt -59.83 -36.21 76.34 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 124.435 1.084 . . . . 74.01 110.961 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -78.31 -27.85 47.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.374 -0.83 . . . . 74.24 112.677 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -82.72 -28.47 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 109.576 -0.528 . . . . 53.14 109.576 174.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.1 t -60.82 -49.92 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 109.489 -0.56 . . . . 73.45 109.489 171.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.92 -18.69 62.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.584 -0.735 . . . . 71.15 111.383 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -68.33 -46.64 69.66 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.389 -0.597 . . . . 64.32 109.389 169.073 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 28.0 m-85 -63.31 -35.45 80.42 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.277 0.631 . . . . 71.14 112.149 175.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.536 ' SD ' HG12 ' A' ' 22' ' ' VAL . 57.2 mtm -71.34 -31.07 66.94 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.881 0.473 . . . . 74.31 111.542 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -64.7 -39.31 93.44 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.619 0.768 . . . . 75.43 110.086 173.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 62.1 mttm -66.6 -44.55 81.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.496 0.719 . . . . 74.05 110.029 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.551 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -67.91 -34.01 75.8 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.204 -1.362 . . . . 40.43 112.456 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.285 0 O-C-N 123.484 0.49 . . . . 73.42 113.549 178.068 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.057 -0.349 . . . . 64.21 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.483 HG21 ' HB1' ' A' ' 124' ' ' ALA . 65.1 mt -110.19 135.42 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 64.54 109.304 -177.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 76.8 mt -121.29 140.92 51.43 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.812 -0.81 . . . . 75.23 108.812 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mm -123.02 109.9 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 107.891 -1.151 . . . . 60.11 107.891 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -97.07 128.19 43.76 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.287 -1.375 . . . . 55.02 107.287 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.33 130.5 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-O 121.14 0.495 . . . . 64.45 109.881 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.9 114.87 18.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.729 1.212 . . . . 65.44 107.862 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -125.67 145.29 50.23 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.698 0.799 . . . . 74.11 109.381 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -81.6 -17.68 47.41 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 65.44 110.008 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' HB2' HD23 ' A' ' 14' ' ' LEU . 80.5 m-20 -102.57 117.04 33.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.051 0.94 . . . . 74.45 110.272 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.0 -25.49 63.68 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.576 1.15 . . . . 64.44 111.699 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.22 -51.41 58.41 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.208 1.003 . . . . 75.41 109.918 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -66.56 -27.84 68.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.58 -0.737 . . . . 72.52 112.474 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.517 HG23 HD13 ' A' ' 57' ' ' ILE . 64.6 mt -60.45 -51.64 70.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 118.201 0.455 . . . . 71.51 110.571 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 15.7 ptpt -75.59 -32.56 60.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.748 -0.66 . . . . 72.42 111.808 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -65.54 -46.4 79.68 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.471 0.708 . . . . 73.12 110.827 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.43 -35.48 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.969 0.908 . . . . 62.34 110.201 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -54.34 -42.52 70.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.924 0.329 . . . . 65.42 111.749 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 13.8 mmmm -73.36 -38.38 65.73 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.886 0.475 . . . . 70.03 110.854 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -56.16 -53.79 52.94 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.475 0.71 . . . . 64.55 111.651 172.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' SD ' ' A' ' 121' ' ' MET . 13.0 m -81.37 -11.44 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.059 -0.973 . . . . 64.24 111.697 -171.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.42 -43.67 71.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.567 1.147 . . . . 74.32 110.552 170.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -76.85 -25.2 52.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.812 -1.085 . . . . 75.23 111.189 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -98.74 -7.03 28.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.372 0.669 . . . . 72.44 112.263 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.23 43.93 77.81 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 114.783 0.673 . . . . 22.11 114.783 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.66 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 10.2 m-85 -103.44 102.76 12.69 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.808 -0.812 . . . . 75.23 108.808 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.76 116.5 8.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.794 0.838 . . . . 73.14 110.344 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.54 130.06 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.708 0.803 . . . . 72.02 111.446 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -119.37 120.26 36.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.442 1.097 . . . . 73.41 108.617 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.96 118.92 32.61 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.914 -0.772 . . . . 51.55 108.914 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.68 118.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.303 1.041 . . . . 72.44 108.524 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -129.76 5.17 5.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.919 1.288 . . . . 72.23 110.275 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.49 137.82 47.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.303 1.041 . . . . 75.35 108.474 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 p -64.87 -26.15 68.2 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.341 0.656 . . . . 74.41 111.92 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.587 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 14.2 m-20 -66.99 -43.92 81.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.552 0.341 . . . . 71.24 110.6 173.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.57 -35.34 80.65 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.9 0.75 . . . . 72.23 110.547 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 66' ' ' GLU . 4.4 tt -56.51 -52.15 65.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.839 0.856 . . . . 75.23 110.484 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 36' ' ' ASP . 51.9 mtmt -55.49 -57.72 10.75 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.0 0.813 . . . . 73.33 110.368 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.7 mmtp -49.46 -57.49 6.89 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 124.931 1.395 . . . . 65.41 111.858 -174.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.9 mm-40 -67.89 -35.5 78.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.646 -0.706 . . . . 64.03 111.284 -171.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 67' ' ' MET . 92.1 mmm -67.21 -35.21 79.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.374 0.421 . . . . 74.31 111.706 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.2 mmtt -65.82 -40.9 92.25 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.286 -0.635 . . . . 70.44 109.286 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.35 -36.83 85.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.096 0.958 . . . . 74.4 111.321 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD21 HG21 ' A' ' 54' ' ' ILE . 79.4 mt -64.96 -31.56 72.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.152 0.581 . . . . 75.01 111.236 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 123.351 0.661 . . . . 71.32 111.247 177.174 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 29.1 mtmm . . . . . 0 C--O 1.24 0.582 0 N-CA-C 109.544 -0.539 . . . . 70.41 109.544 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.514 HG21 HD21 ' A' ' 45' ' ' LEU . 50.6 mm -105.28 126.19 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.987 0.915 . . . . 62.11 109.318 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.58 127.9 48.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.691 -0.855 . . . . 73.3 108.691 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.485 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.9 mm -111.71 119.53 60.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 123.804 0.842 . . . . 72.25 108.966 175.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.517 HD13 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -95.47 128.86 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.868 -0.79 . . . . 73.34 108.868 171.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -140.61 122.89 15.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.737 -0.838 . . . . 60.33 108.737 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.03 -22.18 42.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.955 0.902 . . . . 53.42 111.269 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.47 117.37 30.76 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.488 -1.301 . . . . 74.42 107.488 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 34.9 pttt -70.79 -15.15 62.64 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.89 -0.595 . . . . 73.15 110.851 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.84 -55.64 21.4 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.53 0.732 . . . . 75.04 109.56 168.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.6 -27.31 67.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.264 -0.88 . . . . 64.4 111.019 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tt -62.08 -49.08 77.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.771 0.828 . . . . 70.04 110.03 173.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.26 -48.93 79.66 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.172 0.589 . . . . 65.52 111.404 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.6 mm-40 -56.8 -46.47 81.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.921 0.763 . . . . 72.01 110.196 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 42' ' ' MET . 40.6 tpp -55.03 -53.13 59.71 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.292 -1.322 . . . . 72.43 110.62 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.14 -42.81 99.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.979 0.912 . . . . 73.4 111.539 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.38 -32.96 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.007 0.523 . . . . 74.14 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.13 -42.64 79.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.79 0.436 . . . . 74.42 110.682 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 67' ' ' MET . 57.2 mt -66.29 -32.41 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 61.2 110.436 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.5 t -59.09 -40.5 85.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.714 0.806 . . . . 75.53 110.646 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -73.47 -28.14 61.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.151 -0.931 . . . . 74.43 111.058 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.51 -31.19 32.95 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.666 0.787 . . . . 45.21 111.573 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.15 61.23 4.06 Favored Glycine 0 C--N 1.348 1.225 0 C-N-CA 123.269 0.461 . . . . 75.12 113.423 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -121.27 149.4 42.95 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.309 0.644 . . . . 71.43 110.567 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -78.87 115.18 18.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.284 0.634 . . . . 61.55 110.298 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 43.4 t -107.35 135.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.707 0.803 . . . . 72.0 110.946 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.66 116.31 28.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.163 -1.421 . . . . 75.43 107.163 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 40.9 tp -110.61 129.16 55.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.296 1.038 . . . . 60.24 111.318 -172.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 37.3 tp -113.63 122.68 47.93 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.761 0.824 . . . . 63.42 109.728 172.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.87 117.84 34.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.982 0.913 . . . . 70.21 108.982 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -109.33 112.38 24.48 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.419 -0.586 . . . . 71.22 109.419 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.83 139.64 26.51 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.024 -0.732 . . . . 72.41 109.024 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -77.36 -20.49 54.71 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.777 0.831 . . . . 74.21 112.226 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.37 91.16 3.54 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.07 -0.715 . . . . 62.31 109.07 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 46.9 mt-10 -62.17 -11.05 12.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.166 0.986 . . . . 62.44 113.195 -176.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.31 -60.58 3.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.58 0.752 . . . . 65.45 110.597 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.17 -29.82 43.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.853 0.461 . . . . 52.02 110.579 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.654 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 26.9 tp -61.29 -36.1 79.15 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.943 0.897 . . . . 73.14 110.782 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.54 -48.23 80.4 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.032 0.533 . . . . 71.22 110.32 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.29 -50.41 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.082 -0.963 . . . . 71.04 110.992 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.8 -26.36 62.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.771 0.828 . . . . 70.33 111.171 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.77 -55.62 16.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.403 -0.591 . . . . 43.21 109.403 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -63.19 -27.83 69.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.714 0.806 . . . . 73.11 111.473 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.2 -58.41 7.8 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.552 1.141 . . . . 61.5 110.756 174.616 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.7 mt -81.52 -23.36 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 114.355 -1.293 . . . . 64.32 111.052 -173.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.26 -30.29 64.71 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 109.024 -0.732 . . . . 71.25 109.024 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.9 t -72.35 -29.68 64.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.426 0.691 . . . . 51.11 110.06 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -76.76 4.57 9.33 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.556 0.743 . . . . 64.42 111.468 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.85 22.61 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.024 0.345 . . . . 72.21 113.74 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 97' ' ' ILE . 74.6 m-85 -116.65 147.43 41.93 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.852 0.461 . . . . 75.43 110.985 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.62 93.02 2.99 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.654 -0.869 . . . . 73.12 108.654 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 t -112.03 116.92 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 109.642 -0.503 . . . . 55.12 109.642 -172.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -119.39 145.8 45.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.179 0.591 . . . . 61.05 109.768 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HB2' HD21 ' A' ' 90' ' ' LEU . 11.1 ptmm? -111.4 143.53 42.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.364 1.066 . . . . 71.14 110.37 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -147.13 153.77 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 123.533 0.733 . . . . 54.34 109.481 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -118.76 -31.69 4.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.885 0.874 . . . . 75.11 110.722 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.99 149.36 21.58 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.522 0.729 . . . . 72.14 111.553 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.06 -38.09 72.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.068 0.947 . . . . 70.45 111.637 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.42 -44.64 82.39 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.476 -0.784 . . . . 75.02 110.085 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.9 tt0 -75.48 -34.42 60.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.464 -0.789 . . . . 60.22 110.694 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.23 -47.67 68.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.46 0.704 . . . . 72.34 111.157 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 72.8 mt -58.92 -44.28 91.27 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.117 0.886 . . . . 73.53 110.344 176.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -67.62 -32.7 73.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.418 0.687 . . . . 73.33 112.267 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.4 mm -74.8 -32.86 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 109.698 -0.482 . . . . 61.01 109.698 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.55 -40.66 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.632 -0.507 . . . . 64.22 109.632 169.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 32.9 mtp180 -67.4 -30.24 69.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.44 0.696 . . . . 73.2 111.246 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.26 -49.8 70.46 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.588 -0.523 . . . . 60.24 109.588 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.436 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.8 m-30 -60.3 -40.78 91.75 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.244 -0.889 . . . . 73.44 111.664 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.736 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -72.58 -30.42 64.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.547 0.739 . . . . 73.15 111.887 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -66.25 -47.32 74.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.746 0.818 . . . . 75.2 111.146 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -80.44 -35.69 34.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.824 -1.08 . . . . 65.34 110.672 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.33 -32.86 72.23 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.866 -0.606 . . . . 64.5 109.465 169.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.272 0 O-C-N 123.595 0.56 . . . . 74.43 112.276 173.168 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.363 -0.977 . . . . 64.35 108.363 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.78 131.25 40.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.373 -0.973 . . . . 64.13 108.373 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HB2' HG22 ' A' ' 78' ' ' VAL . 20.3 mt -109.57 141.2 42.41 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.573 -1.194 . . . . 63.14 108.033 -177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.3 mm -111.78 104.86 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.063 -1.458 . . . . 71.33 107.063 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -90.82 132.24 36.0 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.638 -1.616 . . . . 60.14 106.638 -179.472 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.5 HD12 HD21 ' A' ' 55' ' ' LEU . 67.3 mt -136.28 137.44 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.446 -0.576 . . . . 63.23 109.446 -176.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 58' ' ' SER . 2.9 t-20 -132.34 115.29 15.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.101 0.96 . . . . 74.23 109.415 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 139.59 53.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.514 -0.921 . . . . 70.3 108.514 169.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.18 -17.48 56.75 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.034 0.533 . . . . 72.24 110.308 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -96.54 123.44 40.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.22 1.008 . . . . 63.24 111.014 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.5 m-20 -59.36 -30.92 68.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.99 1.316 . . . . 71.54 112.376 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.02 -55.67 31.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.264 1.026 . . . . 74.21 110.282 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.93 -24.86 66.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.152 0.581 . . . . 75.44 111.92 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 12' ' ' ASP . 70.1 mt -59.84 -58.7 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.639 -0.504 . . . . 73.25 109.639 174.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -29.22 66.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.072 0.549 . . . . 54.43 111.993 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.72 -55.92 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.509 0.724 . . . . 72.31 110.747 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.48 -33.21 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 124.182 0.926 . . . . 74.33 110.813 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.6 mttt -51.57 -44.62 62.81 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.475 0.484 . . . . 65.51 110.923 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -78.88 -44.43 22.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.509 0.723 . . . . 73.14 111.495 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -49.1 -51.45 31.68 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.536 0.735 . . . . 74.4 112.066 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG23 HG22 ' A' ' 29' ' ' VAL . 5.7 m -85.11 -19.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.165 -0.925 . . . . 61.35 111.688 -171.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.36 -46.68 83.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.288 1.035 . . . . 73.21 110.284 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -79.01 1.18 24.78 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.136 -0.938 . . . . 50.3 112.212 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.71 2.48 21.88 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.744 0.818 . . . . 70.05 111.566 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.84 15.92 69.12 Favored Glycine 0 N--CA 1.473 1.164 0 N-CA-C 114.912 0.725 . . . . 71.03 114.912 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -100.66 124.48 46.31 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.227 0.611 . . . . 74.44 109.778 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.72 107.43 6.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.101 0.961 . . . . 74.42 109.562 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 22' ' ' VAL . 3.5 t -78.83 132.23 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.519 0.727 . . . . 72.12 110.767 -172.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -127.9 149.76 50.17 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 107.554 -1.276 . . . . 72.13 107.554 166.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.14 141.9 51.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.774 -0.825 . . . . 75.43 108.774 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG12 HD13 ' A' ' 63' ' ' LEU . 55.5 t -121.95 114.8 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 62.22 108.093 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -111.78 -1.58 15.56 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.266 1.026 . . . . 72.2 111.003 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -150.41 155.69 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.7 0.286 . . . . 74.15 110.611 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 p -60.37 -28.67 68.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.334 1.054 . . . . 70.11 112.457 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 25.6 t70 -60.73 -52.04 66.8 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.513 0.508 . . . . 63.05 109.694 172.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -59.26 -37.3 77.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.435 1.085 . . . . 74.23 110.854 -177.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.7 tt -54.18 -57.43 11.18 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 114.507 -1.224 . . . . 64.33 110.344 173.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.04 -39.78 75.49 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.26 0.975 . . . . 70.53 111.594 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 29.2 mmmt -62.32 -43.72 98.16 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.955 0.784 . . . . 74.41 110.449 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 24.4 mm-40 -83.43 -21.27 32.99 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.881 0.697 . . . . 74.44 112.881 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.56 -36.02 80.15 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.893 -0.41 . . . . 65.34 109.893 170.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -57.47 -45.23 85.06 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.177 0.923 . . . . 72.42 110.068 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 38.7 mmtm -61.72 -38.76 89.09 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.829 0.705 . . . . 64.41 111.114 -175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.39 -21.74 65.58 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.989 0.516 . . . . 75.32 112.02 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.433 0.693 . . . . 55.4 111.409 178.71 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 107.897 -1.149 . . . . 64.24 107.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -98.11 132.19 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 109.068 -0.716 . . . . 64.13 109.068 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 7' ' ' ILE . 9.1 tt -117.39 127.46 54.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.18 -1.044 . . . . 51.04 108.18 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 67' ' ' MET . 20.8 mm -111.73 128.73 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 109.275 -0.639 . . . . 74.11 109.275 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.93 127.51 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 107.772 -1.196 . . . . 63.04 107.772 169.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.2 t -131.81 135.62 46.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.152 -1.425 . . . . 61.52 107.152 174.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -88.09 -8.05 56.06 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.325 0.25 . . . . 74.21 110.789 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -112.36 125.04 53.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.924 0.89 . . . . 62.21 109.373 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.2 pttm -75.25 -27.37 59.45 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.277 0.631 . . . . 73.22 112.083 -174.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -67.82 -42.2 81.86 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 109.596 -0.52 . . . . 60.21 109.596 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 90.7 mt -61.35 -43.67 98.48 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.825 0.703 . . . . 62.53 109.658 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 80' ' ' LEU . 2.3 tt -54.69 -42.21 71.15 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.741 0.816 . . . . 73.23 112.003 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 51.7 mtpt -65.11 -54.86 23.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.084 0.554 . . . . 73.42 110.821 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -54.43 -41.63 69.58 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.967 0.792 . . . . 73.43 110.833 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 6' ' ' LEU . 36.4 ttm -57.61 -51.84 67.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.431 1.492 . . . . 64.31 111.314 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.16 -22.31 61.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.574 0.75 . . . . 73.4 111.795 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 11.9 mm-40 -64.24 -52.06 60.61 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.895 -0.78 . . . . 73.24 108.895 170.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.28 -37.56 87.93 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.223 -1.353 . . . . 63.13 111.785 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.668 HG21 HG21 ' A' ' 78' ' ' VAL . 85.0 mt -70.76 -35.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.425 0.69 . . . . 74.31 110.85 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -65.49 -32.47 74.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.716 0.406 . . . . 64.41 110.602 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -71.5 -32.18 67.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.052 0.541 . . . . 75.32 110.582 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.19 -34.66 66.1 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.603 0.761 . . . . 60.1 110.419 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.44 83.12 0.43 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.384 -0.825 . . . . 62.04 112.195 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.5 148.15 50.49 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.882 0.873 . . . . 72.33 110.26 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -82.1 100.28 9.69 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.491 -1.3 . . . . 75.0 107.491 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 71' ' ' ILE . 57.8 t -110.95 134.28 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.752 0.821 . . . . 54.14 110.747 -176.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -100.41 127.79 46.65 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.682 -1.229 . . . . 64.45 107.682 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 64' ' ' LEU . 39.5 tp -115.0 132.37 56.62 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.309 0.644 . . . . 75.22 111.413 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 20.9 tp -113.78 126.09 54.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.071 0.548 . . . . 73.31 109.829 169.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 90' ' ' LEU . 95.6 mt -112.06 115.0 28.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.838 0.855 . . . . 74.14 109.552 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.8 112.42 25.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.856 0.862 . . . . 75.22 108.993 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -154.8 137.39 15.15 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.104 -1.073 . . . . 74.31 108.104 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -74.71 -14.6 60.75 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.46 0.704 . . . . 70.52 112.811 -172.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -106.16 83.58 1.92 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.061 -0.718 . . . . 55.5 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 40.2 mt-10 -62.01 -22.79 65.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.731 1.212 . . . . 72.4 113.408 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -62.66 -58.1 8.68 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.189 0.596 . . . . 70.44 110.598 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.36 -29.2 62.48 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.016 0.526 . . . . 61.04 110.596 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 57.6 tp -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.407 1.083 . . . . 74.42 111.668 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.36 -38.5 65.68 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.195 0.598 . . . . 73.04 110.362 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.95 -32.45 71.98 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.01 0.819 . . . . 65.0 111.216 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -80.6 -35.67 33.84 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.758 0.823 . . . . 74.41 110.455 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 28.2 ttpp -62.18 -51.29 68.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.867 0.867 . . . . 73.34 111.08 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -60.37 -23.98 64.72 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.285 0.991 . . . . 71.23 112.911 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -63.39 -56.3 17.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.625 0.77 . . . . 74.03 110.063 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.6 mt -78.39 -27.99 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 114.321 -1.309 . . . . 65.34 110.734 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.75 -33.59 72.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.335 1.054 . . . . 73.02 109.621 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 -20.99 57.62 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.762 0.825 . . . . 75.42 110.578 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.14 4.94 15.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.307 0.643 . . . . 64.23 111.338 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.71 40.72 7.57 Favored Glycine 0 C--N 1.35 1.353 0 C-N-CA 122.81 0.243 . . . . 75.03 112.774 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -120.95 134.85 55.31 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.484 0.714 . . . . 75.14 109.393 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.51 93.78 3.6 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.501 -0.925 . . . . 71.42 108.501 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 80' ' ' LEU . 15.3 t -108.51 131.43 59.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.549 -0.75 . . . . 73.31 109.296 -174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -121.41 159.55 25.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.32 0.648 . . . . 75.25 110.29 172.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 48.9 mtpt -96.74 154.9 17.02 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.681 -1.145 . . . . 71.1 109.554 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -160.28 151.43 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.585 -0.734 . . . . 73.21 109.977 168.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.7 p -120.32 -39.98 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.431 1.093 . . . . 62.33 110.141 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.11 157.2 18.4 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.916 0.886 . . . . 71.03 111.933 -169.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.54 -50.18 40.23 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.867 1.267 . . . . 73.41 111.735 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 5.9 pt-20 -62.08 -43.13 99.5 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 124.254 0.971 . . . . 75.01 109.362 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 111' ' ' GLU . 8.9 tp10 -69.18 -35.57 76.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 114.475 -1.239 . . . . 74.23 110.512 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.81 -50.61 71.85 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.512 0.725 . . . . 33.42 110.686 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.78 -40.55 95.57 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.965 0.791 . . . . 62.42 110.26 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.26 -45.05 74.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.941 0.896 . . . . 72.42 112.552 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.28 -32.05 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.589 0.356 . . . . 41.52 110.533 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 113' ' ' ALA . 65.1 t -61.36 -45.83 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 109.536 -0.542 . . . . 73.53 109.536 172.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -67.62 -22.44 65.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.349 0.66 . . . . 72.21 111.499 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.73 -48.98 57.49 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.953 0.501 . . . . 62.11 109.893 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.5 m-85 -58.85 -43.15 90.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.92 0.888 . . . . 73.42 111.785 176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.413 ' HE2' HG12 ' A' ' 117' ' ' VAL . 71.5 mtm -73.57 -27.04 61.11 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.629 0.772 . . . . 71.04 111.809 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -68.54 -43.83 75.83 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.24 0.616 . . . . 74.24 110.262 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.75 -46.0 73.36 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.428 -0.805 . . . . 74.23 109.524 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.81 74.64 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.141 -0.936 . . . . 53.0 110.761 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.298 0 O-C-N 123.734 0.646 . . . . 71.54 112.583 178.561 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.852 -0.425 . . . . 71.44 109.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt 178.11 125.36 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.563 1.545 . . . . 55.32 107.259 164.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.47 126.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 123.351 0.66 . . . . 72.14 109.376 -167.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 mt -110.57 106.86 16.28 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.346 -1.353 . . . . 73.1 107.346 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.8 103.74 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.59 -1.263 . . . . 73.43 107.59 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.01 124.65 34.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.752 -1.203 . . . . 75.52 107.752 -172.078 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 55' ' ' LEU . 64.7 mt -132.19 121.54 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.33 0.652 . . . . 74.31 109.387 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' HB3' HD23 ' A' ' 82' ' ' LEU . 23.8 t-20 -109.0 117.3 33.85 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 107.585 -1.265 . . . . 62.31 107.585 170.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.2 t -124.01 147.56 47.7 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.391 0.677 . . . . 72.21 109.328 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -83.32 -17.15 43.43 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.189 0.595 . . . . 71.41 110.906 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.598 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.7 m120 -109.11 134.6 51.49 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.825 0.45 . . . . 70.54 111.176 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.22 -24.91 64.98 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.094 0.958 . . . . 65.22 110.975 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.589 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 22.9 mt-10 -57.32 -48.11 79.82 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.885 0.874 . . . . 73.11 110.016 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.4 mm? -61.41 -37.5 83.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.544 -0.753 . . . . 73.41 111.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG22 ' HE2' ' A' ' 19' ' ' LYS . 54.8 mt -56.24 -51.68 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 123.665 0.603 . . . . 73.34 110.543 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 63.1 pttt -73.11 -33.87 65.82 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.671 -0.695 . . . . 75.3 111.995 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 50.3 mtpt -66.45 -41.23 89.4 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 110.29 -0.263 . . . . 75.55 110.29 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -39.01 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.012 0.925 . . . . 75.31 110.326 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 61.6 mttm -54.9 -36.09 64.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.945 0.498 . . . . 52.23 111.204 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.6 -42.71 24.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.156 0.583 . . . . 75.5 110.659 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.78 -33.4 61.33 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.914 0.886 . . . . 63.24 112.812 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.0 m -107.66 -1.73 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.114 0.566 . . . . 73.22 111.887 -173.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.8 -42.26 97.73 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.162 0.985 . . . . 54.04 110.553 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.44 -2.25 58.28 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.271 -0.877 . . . . 62.13 111.469 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 31.5 mm-40 -102.66 -10.65 19.04 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.262 0.625 . . . . 71.32 111.987 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.77 62.07 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 114.508 0.563 . . . . 52.31 114.508 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -106.25 111.28 23.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.295 0.638 . . . . 75.31 109.453 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.16 107.79 7.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.947 0.899 . . . . 74.24 110.673 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.87 135.54 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.661 0.784 . . . . 64.51 109.945 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 56' ' ' ILE . 17.5 mmm180 -124.5 112.08 16.45 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.08 1.352 . . . . 70.01 107.748 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -94.73 116.98 29.4 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.384 -0.969 . . . . 75.12 108.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG12 HD13 ' A' ' 63' ' ' LEU . 30.0 t -115.55 114.05 45.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 108.309 -0.997 . . . . 42.44 108.309 -176.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.5 14.83 4.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.634 0.774 . . . . 74.32 110.819 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.39 142.54 27.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.267 0.627 . . . . 72.1 109.495 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.4 p -60.9 -36.62 79.73 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.517 1.127 . . . . 63.33 113.564 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.28 -45.29 92.1 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.43 0.456 . . . . 62.44 110.166 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 17.4 mm-40 -60.92 -40.49 93.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.225 0.953 . . . . 71.44 110.416 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.62 -58.58 6.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.414 1.086 . . . . 64.34 110.653 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.32 -23.12 65.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.998 0.919 . . . . 73.33 112.697 -172.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.08 -60.56 2.32 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.065 0.546 . . . . 73.41 110.451 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 8.3 pt-20 -77.51 -28.77 52.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.545 0.572 . . . . 73.21 112.545 -166.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' SD ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -69.5 -37.34 77.15 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 120.785 0.326 . . . . 74.34 110.319 -178.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -60.71 -33.11 72.39 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 115.923 -0.581 . . . . 63.43 110.15 172.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.4 -31.91 70.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.031 0.533 . . . . 73.24 110.931 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.51 -27.69 68.65 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 110.311 -0.255 . . . . 71.24 110.311 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.62 -39.56 16.01 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.227 0.611 . . . . 70.11 111.493 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -84.15 -21.3 31.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.742 0.817 . . . . 73.12 112.111 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -93.63 106.88 18.81 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 106.587 -1.635 . . . . 75.2 106.587 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -74.78 -5.61 44.38 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.338 0.655 . . . . 72.3 111.531 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -61.1 138.23 58.21 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.611 0.764 . . . . 72.53 111.974 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -80.42 85.45 5.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.504 -0.771 . . . . 72.23 109.087 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.74 143.16 38.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.492 0.717 . . . . 71.24 111.337 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -84.5 98.99 10.42 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.753 1.221 . . . . 71.44 108.657 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 mm -117.08 147.38 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.535 0.683 . . . . 64.03 109.469 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -127.52 122.72 34.09 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 106.314 -1.735 . . . . 70.13 106.314 174.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 6' ' ' LEU . 27.4 mm -104.66 111.0 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.933 -0.765 . . . . 55.43 108.933 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.4 mt -94.1 124.21 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.777 -1.194 . . . . 71.52 107.777 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -139.03 116.66 11.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.061 -1.459 . . . . 70.33 107.061 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 15' ' ' ILE . 2.2 m-20 -87.24 -0.99 57.57 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.704 0.802 . . . . 72.4 110.547 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.24 109.52 21.54 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.223 -1.399 . . . . 34.03 107.223 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.79 -25.25 65.5 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.011 0.925 . . . . 72.23 111.941 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 56.5 tp60 -66.34 -44.56 82.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.7 0.4 . . . . 71.14 110.023 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -68.31 -30.82 69.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.152 0.581 . . . . 64.34 110.743 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 9.4 tt -63.88 -46.61 84.12 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.03 0.532 . . . . 72.53 110.045 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 53.0 mtpt -55.09 -54.2 46.19 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.876 0.735 . . . . 75.21 110.103 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.99 -43.88 86.82 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.796 1.31 . . . . 73.2 110.427 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 6' ' ' LEU . 59.3 tpp -56.08 -52.27 64.88 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.752 1.282 . . . . 32.13 110.436 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 71' ' ' ILE . 78.0 mt -67.77 -31.57 71.55 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.187 0.595 . . . . 74.35 112.312 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 23.2 mm-40 -64.75 -48.15 75.6 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.251 -0.648 . . . . 70.44 109.251 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HB3' ' SD ' ' A' ' 42' ' ' MET . 20.3 mt -56.43 -44.69 80.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.379 1.072 . . . . 73.24 110.552 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.649 HD12 HD23 ' A' ' 68' ' ' LEU . 86.8 mt -64.85 -40.09 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.724 0.81 . . . . 64.24 110.651 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -65.46 -33.94 77.11 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.802 0.689 . . . . 74.0 111.057 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 60.5 mmtt -70.83 -26.72 63.42 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.348 0.405 . . . . 71.13 110.433 177.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.6 mt -93.63 -20.77 19.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.162 0.985 . . . . 61.45 111.151 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.9 43.55 97.37 Favored Glycine 0 C--N 1.348 1.235 0 O-C-N 123.723 0.639 . . . . 50.11 114.066 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.589 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.1 m-30 -86.99 146.26 26.2 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 117.161 0.48 . . . . 72.23 110.192 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.53 126.29 30.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.914 -0.402 . . . . 74.42 109.914 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 71' ' ' ILE . 93.9 t -121.43 138.27 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.87 0.868 . . . . 63.31 110.551 -177.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.36 114.73 22.27 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 106.717 -1.586 . . . . 75.53 106.717 166.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 66.6 tp -104.74 129.5 52.96 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.108 0.963 . . . . 71.43 112.06 -170.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 HG21 ' A' ' 116' ' ' ILE . 52.6 tp -118.82 112.97 20.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.375 1.07 . . . . 74.13 108.8 172.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.6 mt -99.6 130.37 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.452 0.701 . . . . 74.22 109.819 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 51.3 tt0 -131.0 104.33 7.06 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.263 -1.014 . . . . 43.45 108.263 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 10.3 t70 -137.17 140.9 42.13 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.439 -1.319 . . . . 72.53 107.439 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.61 -42.89 70.36 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.4 0.437 . . . . 75.54 110.547 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.57 114.67 25.43 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.582 -0.896 . . . . 72.14 108.582 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.678 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.2 mt-10 -79.5 -6.59 57.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.137 0.791 . . . . 70.05 113.137 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -74.87 -25.74 59.18 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.755 -0.832 . . . . 75.32 108.755 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.78 -56.94 3.43 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.663 0.785 . . . . 61.51 109.522 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.678 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 31.8 tp -52.32 -52.82 50.97 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.88 1.272 . . . . 64.22 112.889 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -70.35 -47.78 59.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.363 0.665 . . . . 65.45 111.277 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 40.3 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.127 0.571 . . . . 73.35 111.534 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 31.4 t80 -67.32 -40.98 86.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.879 0.872 . . . . 73.44 110.013 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 106' ' ' LYS . 28.0 tttm -57.13 -54.46 46.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.02 1.328 . . . . 72.33 111.298 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 11.2 ptm180 -71.17 -22.19 62.07 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.298 0.999 . . . . 72.12 111.73 -167.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 97.0 mttt -61.97 -46.51 88.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.477 0.656 . . . . 75.43 110.383 171.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.8 mt -83.7 -28.03 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.943 1.297 . . . . 74.43 110.741 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 41.5 tt0 -74.82 -33.74 62.23 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 64.15 109.784 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -65.47 -20.49 66.37 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.219 0.608 . . . . 73.43 110.935 174.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -87.83 1.68 53.34 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.002 0.921 . . . . 71.44 111.267 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.72 6.32 83.05 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-O 119.45 -0.639 . . . . 60.23 114.349 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.31 143.71 50.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 117.104 0.452 . . . . 73.44 109.952 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.56 94.82 0.79 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.764 -0.828 . . . . 71.23 108.764 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.5 t -111.17 125.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.104 0.562 . . . . 73.01 109.549 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -119.49 143.58 47.47 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.835 0.854 . . . . 60.04 109.497 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 50.8 mtmt -96.52 153.26 17.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.754 -0.832 . . . . 74.04 108.754 170.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.52 148.28 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.675 0.609 . . . . 74.25 110.203 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 p -129.3 -11.66 4.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.502 1.121 . . . . 65.32 110.18 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 112' ' ' GLU . 19.9 m-20 -89.92 134.79 34.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.751 0.82 . . . . 54.44 109.468 174.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 6.2 p-10 -73.4 -40.98 63.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.628 0.371 . . . . 74.44 111.46 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 39.7 mt-10 -72.83 -41.0 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.365 0.666 . . . . 62.12 109.794 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . 13.7 tp10 -65.35 -38.14 89.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.992 0.807 . . . . 74.32 110.565 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.77 -47.65 67.36 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.633 0.773 . . . . 72.03 110.826 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.48 HD11 ' HE2' ' A' ' 17' ' ' LYS . 67.0 mt -60.59 -34.42 74.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 124.429 1.081 . . . . 71.5 111.265 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 10.7 mmpt? -76.04 -35.33 59.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.262 0.625 . . . . 73.1 110.689 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 81' ' ' LEU . 24.2 mm -65.06 -35.72 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.071 0.549 . . . . 63.31 109.691 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 113' ' ' ALA . 44.8 t -62.72 -37.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 115.799 -0.637 . . . . 45.21 109.946 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -65.44 -35.12 79.98 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.091 0.556 . . . . 74.33 111.464 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.98 -53.99 52.13 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.278 -0.638 . . . . 65.32 109.278 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.4 m-30 -56.4 -44.88 80.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 114.55 -1.205 . . . . 74.21 112.507 -175.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.761 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.2 mtm -69.37 -36.11 76.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.45 0.7 . . . . 73.22 112.457 -178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.41 -35.18 58.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.852 0.461 . . . . 75.25 111.093 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.13 -40.46 52.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.502 0.721 . . . . 73.33 109.991 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.18 76.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.612 0.765 . . . . 74.34 110.313 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.01 -34.87 90.35 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 115.825 -0.625 . . . . 61.1 112.401 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.3 m -70.35 -21.97 62.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.808 0.843 . . . . 52.23 111.638 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.8 mt -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.146 0.978 . . . . 54.12 109.992 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -69.35 -65.19 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.957 0.903 . . . . 71.54 109.573 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -80.4 109.0 14.48 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 107.446 -1.316 . . . . 54.15 107.446 164.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -59.5 98.18 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.609 1.163 . . . . 64.21 112.155 -170.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -80.17 -175.22 4.93 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.3 -0.864 . . . . 73.21 109.392 167.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.38 153.32 43.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.789 0.436 . . . . 72.25 109.956 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -59.75 121.1 10.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.177 0.591 . . . . 74.03 111.676 -171.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 CA--C 1.554 1.119 0 C-N-CA 123.969 0.907 . . . . 70.24 109.323 178.209 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HB2' ' HD1' ' A' ' 51' ' ' PHE . 33.9 mtt . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 107.818 -1.179 . . . . 53.43 107.818 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -142.67 133.68 25.75 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.567 0.747 . . . . 53.31 109.391 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -98.46 114.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.936 -1.135 . . . . 64.53 107.936 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' ' 78' ' ' VAL . 52.8 mt -113.88 111.07 21.12 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.73 -0.47 . . . . 63.12 109.73 -169.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.2 mm -83.76 102.09 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 106.799 -1.556 . . . . 72.43 106.799 171.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.44 127.04 35.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.769 -1.567 . . . . 65.44 106.769 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.454 HD12 HD21 ' A' ' 55' ' ' LEU . 86.8 mt -133.54 117.75 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.243 -1.021 . . . . 75.13 108.243 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.699 ' HB2' HD13 ' A' ' 64' ' ' LEU . 4.4 t30 -106.72 109.46 21.37 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 108.037 -1.097 . . . . 45.53 108.037 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 15' ' ' ILE . 2.1 t -128.83 130.46 46.97 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.578 -0.897 . . . . 53.15 108.578 169.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -87.65 -12.29 45.93 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.358 -0.608 . . . . 71.12 109.358 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.61 117.36 29.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.3 1.04 . . . . 71.11 109.874 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.36 -34.29 73.65 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.517 1.127 . . . . 62.44 112.17 -176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -58.12 -49.89 75.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.813 0.845 . . . . 74.21 110.03 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.2 mm? -71.96 -27.34 62.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.822 -0.626 . . . . 74.35 111.808 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 66.1 mt -58.54 -61.8 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.056 -0.72 . . . . 70.14 109.056 172.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 21.9 ptmt -63.11 -34.64 78.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.954 0.724 . . . . 72.32 112.954 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.69 -52.19 53.44 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.294 0.638 . . . . 51.23 111.237 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' A' ' 113' ' ' ALA . 78.0 mt -61.54 -34.96 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 115.533 -0.758 . . . . 71.31 110.751 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 49.3 mtmt -60.7 -37.33 81.32 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.491 0.316 . . . . 63.15 111.276 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -71.55 -44.09 65.19 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.763 0.425 . . . . 61.12 110.776 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -48.65 -45.2 38.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.588 0.755 . . . . 73.44 112.36 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.643 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 8.1 m -90.36 -18.03 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 115.406 -0.815 . . . . 72.4 112.356 -174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.72 -46.94 85.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.798 0.839 . . . . 75.53 110.546 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.09 -11.51 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.149 -0.932 . . . . 73.1 111.762 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -99.77 5.51 45.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.565 0.746 . . . . 62.14 110.819 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.91 33.07 78.67 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.168 0.827 . . . . 71.31 115.168 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.643 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 24.7 m-85 -94.93 114.02 25.81 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.357 0.663 . . . . 75.24 109.765 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -68.95 107.34 3.07 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.928 -1.033 . . . . 72.23 109.013 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.17 117.27 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.571 -0.741 . . . . 72.14 109.91 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' HD13 ' A' ' 56' ' ' ILE . 25.8 mmm180 -116.69 109.14 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.523 -1.658 . . . . 72.31 106.523 173.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.21 141.96 33.34 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.25 -0.648 . . . . 73.11 109.25 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 63' ' ' LEU . 67.4 t -128.84 115.93 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.121 0.969 . . . . 64.04 108.647 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -118.57 -1.47 11.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.959 0.903 . . . . 74.44 110.357 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.87 149.19 36.56 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.501 0.721 . . . . 60.43 109.751 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -59.95 -34.69 73.6 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.924 0.89 . . . . 75.44 112.791 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.7 t70 -63.94 -44.74 91.93 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.519 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.93 -37.45 79.53 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 124.039 0.837 . . . . 73.44 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.1 tt -58.55 -51.87 68.04 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.447 -1.251 . . . . 74.45 110.861 174.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.57 -24.57 63.71 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.437 0.695 . . . . 71.41 111.786 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 32.4 mmmt -65.21 -45.87 83.0 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 108.462 -0.94 . . . . 73.51 108.462 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 44.0 mm-40 -72.1 -30.71 65.35 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 115.513 -0.767 . . . . 64.11 112.876 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.497 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.9 mmt -61.18 -35.99 78.63 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 118.62 0.645 . . . . 62.34 110.687 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -62.12 -51.8 66.46 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.978 -1.01 . . . . 72.01 110.25 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -62.33 -33.61 75.03 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.692 1.197 . . . . 62.44 112.612 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 81.0 mt -67.15 -48.64 67.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.129 0.572 . . . . 42.4 110.422 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.14 72.91 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.578 -0.737 . . . . 72.43 111.802 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -90.73 -10.39 43.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.047 0.939 . . . . 71.4 112.261 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -109.38 117.92 35.29 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.161 -1.051 . . . . 75.12 108.161 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -13.04 21.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.181 0.593 . . . . 63.23 111.18 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -82.76 133.45 35.15 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.48 0.712 . . . . 73.02 110.159 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.487 ' HD1' ' HB2' ' A' ' 1' ' ' MET . 3.1 p90 -80.32 78.11 7.03 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 122.424 1.107 . . . . 62.14 110.301 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -88.44 158.64 18.3 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 113.93 -1.487 . . . . 75.12 109.133 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 27' ' ' TYR . 12.9 mptt -66.95 93.98 0.3 Allowed 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.034 -0.728 . . . . 73.11 109.034 171.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.69 115.29 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.372 -0.973 . . . . 63.3 108.372 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 7' ' ' ILE . 6.5 tt -108.08 121.95 45.87 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.382 -1.34 . . . . 73.42 107.382 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.0 mm -105.11 111.43 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.55 -0.907 . . . . 75.54 108.55 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.0 mt -88.22 139.13 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.593 -0.891 . . . . 73.41 108.593 169.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 34.9 t -133.14 131.9 41.0 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.599 -1.26 . . . . 74.22 107.599 171.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.04 -27.6 24.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.253 0.549 . . . . 74.22 110.19 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.58 130.98 55.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.289 1.036 . . . . 70.33 110.067 -173.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -75.05 -19.72 59.88 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.568 0.747 . . . . 72.02 112.621 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 55.4 tp60 -77.18 -37.35 53.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.139 -0.689 . . . . 71.22 109.139 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 32' ' ' VAL . 56.4 mt -62.01 -38.81 90.06 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 109.5 -0.555 . . . . 55.04 109.5 171.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 8' ' ' ASN . 3.4 tp -58.96 -43.38 91.29 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.165 -0.47 . . . . 72.13 111.182 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -57.19 -57.5 12.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.865 0.466 . . . . 72.44 110.627 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 38' ' ' LEU . 4.7 mm-40 -55.28 -45.14 76.18 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 124.186 0.929 . . . . 65.41 109.808 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.473 ' O ' HG13 ' A' ' 71' ' ' ILE . 37.2 tpp -51.3 -63.91 0.98 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.14 1.376 . . . . 55.21 110.573 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.23 -32.09 72.89 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.468 1.107 . . . . 54.41 112.927 -170.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.81 -34.16 57.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.769 0.428 . . . . 73.42 110.105 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.497 HD13 ' HG3' ' A' ' 42' ' ' MET . 59.1 mt -72.97 -28.76 62.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.125 0.57 . . . . 71.04 110.675 171.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 67' ' ' MET . 84.1 mt -77.89 -24.91 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.102 0.561 . . . . 73.02 110.318 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.9 t -63.14 -43.6 97.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.357 0.663 . . . . 75.11 110.693 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -19.29 59.14 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.356 -0.384 . . . . 65.22 111.336 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 71' ' ' ILE . 76.6 mt -78.52 -28.73 46.27 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.459 0.704 . . . . 72.25 110.669 172.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.83 58.84 7.72 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 123.483 0.563 . . . . 62.15 113.817 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.493 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 21.7 m-85 -107.25 161.23 14.97 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.178 0.591 . . . . 73.33 111.902 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' HG2' HD13 ' A' ' 127' ' ' LEU . 56.0 tptt -89.6 96.24 10.61 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.006 -0.997 . . . . 73.12 108.654 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 4' ' ' LEU . 67.1 t -105.37 127.74 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.572 0.749 . . . . 75.44 111.27 -174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.26 113.77 27.53 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 107.163 -1.421 . . . . 71.15 107.163 171.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 6' ' ' LEU . 42.2 tp -104.22 136.43 43.84 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.138 0.575 . . . . 44.3 111.594 -173.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -118.37 113.26 21.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.52 1.128 . . . . 72.13 108.597 170.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 97' ' ' ILE . 39.5 mt -98.31 119.99 37.94 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.383 0.673 . . . . 73.53 110.698 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -114.84 136.71 52.79 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.217 1.007 . . . . 61.04 108.655 171.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 90' ' ' LEU . 3.1 t70 -142.11 178.45 7.54 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.193 -1.04 . . . . 73.33 108.193 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -96.48 -37.31 10.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.609 0.764 . . . . 75.2 109.508 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -109.38 135.02 51.11 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.863 0.865 . . . . 74.33 110.673 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.99 -36.07 69.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.106 0.963 . . . . 70.03 111.822 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 5.8 m-20 -59.79 -51.8 68.2 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.787 0.68 . . . . 51.31 110.913 -173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.83 -32.49 52.21 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.808 0.693 . . . . 72.4 110.982 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 84' ' ' ASP . 26.1 tp -56.47 -48.12 77.77 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.568 0.747 . . . . 72.14 110.414 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 13.4 tp10 -67.98 -51.91 41.96 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.151 0.98 . . . . 72.14 110.471 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 3.3 tm-20 -47.51 -45.3 26.39 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.976 1.71 . . . . 65.01 111.151 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.74 -35.67 44.36 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.888 -1.505 . . . . 75.21 112.026 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.37 -40.41 97.18 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.06 0.944 . . . . 74.12 111.04 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 74.2 mtp180 -60.26 -34.36 73.6 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.239 1.016 . . . . 73.21 111.494 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.63 -47.77 74.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.086 0.955 . . . . 75.22 110.814 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 82' ' ' LEU . 49.5 mt -76.58 -30.77 19.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 114.868 -1.06 . . . . 52.13 111.007 -174.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.43 -35.26 80.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.61 -0.723 . . . . 73.43 109.962 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -71.69 -20.89 61.86 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.588 0.755 . . . . 73.33 111.118 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -75.91 -6.28 50.12 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.395 0.678 . . . . 75.21 111.23 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.27 5.05 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.919 0.295 . . . . 70.42 112.402 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -119.58 141.26 49.42 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.465 0.706 . . . . 75.42 109.388 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.65 91.26 1.86 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.733 -1.21 . . . . 74.44 107.733 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.85 123.54 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.313 -0.625 . . . . 50.44 109.313 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -117.5 148.98 41.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 71.41 108.866 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HE3' ' HG ' ' A' ' 90' ' ' LEU . 51.6 mtpt -97.0 157.34 15.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.701 0.8 . . . . 72.53 110.105 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -159.79 144.68 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.618 0.767 . . . . 63.44 110.358 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.5 p -137.56 -12.09 1.57 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.684 0.794 . . . . 73.02 110.89 166.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -93.42 144.29 25.48 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.302 0.573 . . . . 70.15 112.245 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.61 ' HA ' HD11 ' A' ' 14' ' ' LEU . 19.6 t70 -58.69 -58.07 10.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.178 1.391 . . . . 70.44 113.059 -175.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.99 -36.14 83.44 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.531 0.732 . . . . 43.42 111.344 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.6 tt0 -62.74 -42.85 99.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.541 1.136 . . . . 73.31 110.821 -174.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 18' ' ' ILE . . . -53.79 -44.81 70.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.752 0.821 . . . . 74.44 111.425 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 25.3 mt -62.1 -46.96 86.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.275 0.984 . . . . 71.54 109.74 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 99.5 mttt -61.17 -43.19 99.28 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.382 1.073 . . . . 61.24 112.602 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 112' ' ' GLU . 16.5 mm -65.33 -40.11 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 121.28 0.562 . . . . 73.01 109.823 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.5 t -65.98 -36.1 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 114.999 -1.001 . . . . 65.42 110.808 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 96.8 mtt180 -60.34 -36.66 78.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.254 0.621 . . . . 74.31 110.817 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 31.4 mt-10 -67.06 -47.02 72.57 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 115.877 -0.601 . . . . 51.03 110.928 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 5' ' ' ILE . 14.4 m-30 -60.21 -41.62 93.39 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.52 0.728 . . . . 74.13 111.962 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.56 ' SD ' HG12 ' A' ' 22' ' ' VAL . 79.4 mtm -65.03 -38.72 91.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.59 0.756 . . . . 73.53 111.246 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -66.18 -39.23 89.56 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.635 0.774 . . . . 74.3 111.533 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 60.8 mttp -75.15 -46.33 35.0 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.706 0.803 . . . . 73.21 111.245 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.14 91.91 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.52 1.128 . . . . 72.03 112.42 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -25.12 60.99 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.983 0.802 . . . . 50.31 114.05 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.7 m -76.67 -37.13 56.73 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.432 0.693 . . . . 74.34 111.007 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.524 HD13 ' HG2' ' A' ' 77' ' ' LYS . 52.1 mt -74.24 -20.87 60.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.878 0.871 . . . . 75.11 111.894 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.89 -26.09 67.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.752 0.821 . . . . 72.31 111.589 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -85.22 16.48 3.57 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.243 0.617 . . . . 73.33 110.99 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -110.57 85.36 2.1 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 108.061 -1.089 . . . . 61.32 108.061 168.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -86.97 -23.71 24.97 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.242 -0.89 . . . . 72.33 110.498 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.12 27.99 2.01 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 40.03 110.473 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.41 -22.84 65.37 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.123 0.969 . . . . 72.13 111.39 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 108.31 -0.996 . . . . 75.52 108.31 159.569 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 40.0 mtm . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 110.194 -0.299 . . . . 75.44 110.194 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER 76.57 115.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.36 1.864 . . . . 41.1 109.654 -162.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 127' ' ' LEU . 29.6 mt -106.24 141.32 21.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 124.756 1.223 . . . . 61.13 108.099 171.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -109.47 107.29 17.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.019 -1.104 . . . . 75.13 108.019 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.1 mm -83.37 106.15 13.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.836 -1.542 . . . . 75.41 106.836 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.29 124.15 36.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.955 -1.498 . . . . 73.12 106.955 -176.704 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.67 120.59 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 108.636 -0.875 . . . . 70.34 108.636 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.1 t30 -120.14 112.8 19.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 107.453 -1.314 . . . . 73.23 107.453 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -118.63 146.64 44.49 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.486 0.714 . . . . 63.44 109.987 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -84.53 -29.71 25.72 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.984 0.914 . . . . 70.4 109.024 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' HD23 ' A' ' 14' ' ' LEU . 72.9 m-20 -101.02 120.12 39.73 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.739 0.816 . . . . 72.45 110.768 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.14 -40.28 89.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.674 1.361 . . . . 41.33 114.674 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.88 -25.79 67.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.315 0.246 . . . . 71.04 111.279 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HG ' ' OE1' ' A' ' 83' ' ' GLN . 4.1 mm? -66.28 -32.96 74.69 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 122.769 0.428 . . . . 74.41 111.586 178.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.0 mt -57.8 -61.57 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 109.365 -0.606 . . . . 74.51 109.365 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.68 -31.49 71.63 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.922 0.764 . . . . 62.11 112.343 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.1 mtpp -72.63 -51.46 19.49 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.169 0.588 . . . . 74.14 111.712 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.68 -31.92 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.766 0.826 . . . . 74.11 111.127 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HD2' HG11 ' A' ' 29' ' ' VAL . 28.6 mmmt -44.83 -49.65 10.7 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.718 1.207 . . . . 74.43 111.006 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.19 -40.82 19.18 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.295 -0.866 . . . . 71.41 111.289 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -47.25 -39.7 14.9 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 123.653 0.781 . . . . 74.13 112.227 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 55' ' ' LEU . 6.9 m -102.65 -22.61 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.422 -0.808 . . . . 64.23 112.819 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.67 -47.97 80.81 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.481 0.712 . . . . 75.12 110.598 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -71.46 -16.32 62.36 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.919 -1.037 . . . . 71.31 111.985 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.49 4.23 51.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.535 0.734 . . . . 73.24 111.906 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.27 67.03 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.607 -0.269 . . . . 73.05 113.679 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.9 110.72 23.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.226 -1.027 . . . . 75.44 108.226 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.13 106.25 1.93 Allowed 'General case' 0 C--N 1.35 0.615 0 O-C-N 123.767 0.667 . . . . 64.53 109.551 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG11 ' HD2' ' A' ' 19' ' ' LYS . 2.4 t -78.53 125.45 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 121.16 0.505 . . . . 65.11 109.926 -173.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HB2' HD13 ' A' ' 56' ' ' ILE . 21.0 mmm180 -126.41 152.83 45.82 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 125.853 1.661 . . . . 70.24 107.421 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.83 143.07 40.81 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.367 -0.605 . . . . 41.24 109.367 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.84 118.19 48.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 124.337 1.055 . . . . 45.23 108.581 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -127.8 21.02 6.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.695 0.798 . . . . 73.44 109.807 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -150.75 139.76 21.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.811 0.844 . . . . 73.31 110.174 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -68.37 -36.85 79.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.895 0.878 . . . . 74.35 113.249 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.95 -34.22 77.48 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.686 0.394 . . . . 61.51 110.298 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mm-40 -65.02 -46.82 79.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.396 -0.82 . . . . 73.21 110.559 172.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.84 -44.05 69.99 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.458 1.103 . . . . 75.14 111.805 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -64.33 -39.97 94.95 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.135 -0.939 . . . . 74.24 110.688 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -76.11 -22.83 55.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.302 0.641 . . . . 73.04 112.218 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 14.7 mm-40 -61.04 -53.33 58.45 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.786 -0.82 . . . . 62.44 108.786 168.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.51 ' HG3' HD13 ' A' ' 70' ' ' LEU . 24.4 mmt -61.08 -25.06 66.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.886 -1.052 . . . . 71.11 112.735 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -59.0 -55.86 29.71 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 123.751 0.657 . . . . 54.25 109.438 170.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -73.92 -32.53 63.58 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.888 0.875 . . . . 64.23 111.871 -172.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.5 mt -66.29 -29.82 70.11 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.692 0.797 . . . . 71.13 110.565 177.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -93.79 -30.0 15.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.517 0.727 . . . . 64.24 111.904 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.61 -26.84 61.83 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.212 0.605 . . . . 72.44 110.582 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.6 143.09 32.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.678 -0.86 . . . . 74.11 108.678 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 46' ' ' ALA . 34.2 mmtp -128.98 -5.28 5.03 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.482 0.713 . . . . 75.35 111.649 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.45 169.9 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.646 0.736 . . . . 63.54 111.041 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -90.73 30.83 1.12 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.61 -1.177 . . . . 74.14 111.474 -170.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 38.9 mt-10 -82.58 97.28 8.39 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.566 0.746 . . . . 61.41 109.83 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HD2' ' HG2' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -71.2 131.07 42.98 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.189 0.596 . . . . 75.35 111.164 -174.126 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.0 mm -111.52 148.06 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 108.468 -0.938 . . . . 62.42 108.468 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -118.65 125.57 50.03 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 107.758 -1.201 . . . . 62.3 107.758 174.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' HD22 ' A' ' 6' ' ' LEU . 26.0 mm -110.98 114.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 109.39 -0.596 . . . . 72.34 109.39 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.93 124.99 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.435 -0.95 . . . . 61.44 108.435 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 45.3 t -124.95 146.31 49.43 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.874 -1.158 . . . . 55.01 107.874 172.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' OD1' HD11 ' A' ' 15' ' ' ILE . 39.9 m-80 -109.26 -0.23 19.28 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.909 0.483 . . . . 74.33 110.827 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.96 133.39 53.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.613 0.765 . . . . 41.51 109.873 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -73.91 -26.84 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.782 0.833 . . . . 71.15 112.389 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -73.2 -39.75 65.3 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 110.038 -0.356 . . . . 71.22 110.038 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.0 -43.74 98.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.105 0.562 . . . . 65.25 109.669 171.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -58.77 -45.07 90.63 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.402 -0.817 . . . . 54.51 111.219 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -59.06 -59.29 5.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 63.51 110.959 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.042 0.839 . . . . 72.41 111.103 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 71' ' ' ILE . 35.4 tpp -53.08 -63.62 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.551 1.157 . . . . 54.43 110.275 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 78' ' ' VAL . 59.8 mt -64.7 -34.2 77.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.595 0.758 . . . . 75.53 112.538 -171.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.48 -37.67 80.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.28 0.632 . . . . 62.12 111.102 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD13 ' HG3' ' A' ' 42' ' ' MET . 84.9 mt -71.61 -35.26 70.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.938 0.495 . . . . 61.23 110.999 175.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 67' ' ' MET . 77.7 mt -65.56 -34.38 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.421 0.689 . . . . 72.41 110.209 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.1 m -65.06 -32.02 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.688 -0.687 . . . . 60.03 110.783 174.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -78.62 -26.02 45.23 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.338 0.655 . . . . 62.05 110.784 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 46' ' ' ALA . 88.0 mt -79.02 -24.4 43.69 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 63.41 110.552 175.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.05 37.02 13.34 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 116.055 -0.521 . . . . 63.04 113.077 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -113.6 159.69 19.35 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.19 0.596 . . . . 72.33 110.204 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -102.61 136.59 42.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.532 -0.914 . . . . 62.21 108.532 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 68' ' ' LEU . 52.5 t -109.7 140.79 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.484 1.114 . . . . 74.11 110.71 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.29 115.08 28.72 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.537 -1.653 . . . . 72.12 106.537 165.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 6' ' ' LEU . 47.2 tp -109.68 124.45 51.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.131 0.572 . . . . 74.2 110.588 -170.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -108.33 113.36 26.38 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.649 -0.871 . . . . 73.45 108.649 170.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.61 114.0 27.65 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.554 -0.906 . . . . 61.04 108.554 172.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' HG3' HG13 ' A' ' 107' ' ' VAL . 48.7 tt0 -110.02 117.62 34.25 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.775 -0.824 . . . . 71.1 108.775 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -138.66 168.44 19.78 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.414 -0.587 . . . . 70.35 109.414 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -90.86 -13.17 34.22 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.361 0.664 . . . . 64.15 111.526 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.63 121.1 37.59 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.689 0.796 . . . . 62.45 109.123 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.03 -23.33 44.39 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.967 0.907 . . . . 61.11 113.374 -176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -71.29 -49.27 44.6 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.537 0.608 . . . . 73.32 109.962 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.74 -33.66 75.31 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.876 -0.602 . . . . 41.24 109.977 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.59 -44.67 95.74 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.429 -1.26 . . . . 72.32 110.997 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -68.4 -49.69 58.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.885 0.874 . . . . 51.41 111.079 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 47.5 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.574 0.75 . . . . 72.22 112.104 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.42 -35.79 73.62 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.328 0.392 . . . . 64.21 110.527 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.99 -52.9 63.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.409 0.684 . . . . 70.24 111.603 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -66.09 -22.7 66.42 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.86 0.725 . . . . 72.32 112.513 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.3 mttm -63.33 -44.94 93.45 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.831 0.824 . . . . 64.03 110.703 171.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 60.8 mt -83.65 -26.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 114.422 -1.263 . . . . 74.21 111.289 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.64 -24.18 67.5 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.11 1.364 . . . . 72.21 110.87 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -67.32 -19.18 65.42 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.51 1.124 . . . . 64.21 112.365 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -83.99 1.17 45.0 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.548 0.739 . . . . 71.12 112.276 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.83 31.79 55.1 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-O 121.18 0.322 . . . . 71.11 112.922 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -109.26 129.24 55.51 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.627 0.771 . . . . 64.42 108.929 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.17 97.07 0.5 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 109.557 -0.534 . . . . 65.33 109.557 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 80' ' ' LEU . 21.5 t -100.1 135.92 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.474 -0.935 . . . . 73.25 108.474 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.3 tpt180 -118.95 151.49 38.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.209 0.604 . . . . 74.25 110.707 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.35 140.88 31.15 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.15 0.98 . . . . 65.44 108.843 168.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG13 ' HG3' ' A' ' 83' ' ' GLN . 14.0 p -156.27 142.56 10.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 O-C-N 123.498 0.499 . . . . 74.43 110.04 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.9 p -122.73 -29.36 4.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.663 1.185 . . . . 64.13 109.88 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.15 129.08 34.08 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 74.41 109.258 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -67.74 -43.16 80.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.587 0.755 . . . . 74.1 111.016 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.32 -38.24 87.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.956 -0.565 . . . . 64.23 110.55 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.1 tp10 -68.66 -37.94 80.04 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.523 -0.762 . . . . 73.22 109.838 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -54.84 -45.98 74.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.854 0.862 . . . . 64.42 112.11 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 17' ' ' LYS . 62.5 mt -55.73 -45.33 77.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.992 0.917 . . . . 64.24 110.833 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.71 -43.99 97.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.603 -1.181 . . . . 54.34 111.165 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 105' ' ' ARG . 33.4 mm -66.51 -37.24 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.902 0.481 . . . . 61.23 111.024 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 113' ' ' ALA . 81.5 t -58.3 -44.14 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.125 0.57 . . . . 71.41 110.389 175.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.51 -24.92 64.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.831 -1.077 . . . . 63.51 111.245 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.61 -48.51 54.72 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.494 0.318 . . . . 73.45 110.168 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -57.05 -39.1 74.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.751 0.82 . . . . 64.13 112.4 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -67.02 -41.28 86.91 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.909 0.755 . . . . 75.13 111.322 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.13 -41.36 97.24 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.203 0.601 . . . . 73.2 110.856 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.82 -39.57 56.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.09 0.956 . . . . 62.42 111.024 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.34 -38.78 43.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.853 0.861 . . . . 72.54 111.945 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -51.45 -32.56 30.87 Favored Glycine 0 CA--C 1.537 1.456 0 O-C-N 124.488 1.118 . . . . 71.01 115.178 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.2 p -68.6 -54.28 17.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.183 0.593 . . . . 54.15 110.985 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.559 ' HB2' HD11 ' A' ' 3' ' ' ILE . 57.4 mt -73.85 -25.75 60.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.274 0.629 . . . . 74.2 110.137 -175.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' HG2' ' HD2' ' A' ' 53' ' ' LYS . 10.5 tp10 -68.29 -55.31 12.56 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.875 1.27 . . . . 63.42 110.72 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -67.82 -10.44 52.93 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 115.644 -0.707 . . . . 74.54 111.633 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -107.42 -176.65 3.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.718 1.207 . . . . 74.31 109.982 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -92.07 -72.09 0.61 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.777 -0.453 . . . . 73.1 109.777 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -132.42 133.34 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.11 0.481 . . . . 74.31 110.944 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -111.15 -8.48 14.4 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 107.946 -1.131 . . . . 62.23 107.946 160.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 125.725 1.61 . . . . 73.12 107.437 179.61 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 tpp . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.437 -0.579 . . . . 75.21 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -159.86 146.17 15.97 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.142 0.577 . . . . 64.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.89 128.84 75.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 123.974 0.91 . . . . 72.23 108.637 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 68.2 mt -116.9 136.84 52.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.207 -1.034 . . . . 45.33 108.207 174.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' HB ' HD12 ' A' ' 55' ' ' LEU . 21.9 mm -104.97 110.92 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.562 -1.273 . . . . 74.4 107.562 173.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.671 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -94.33 127.39 40.17 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.309 -1.367 . . . . 74.21 107.309 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -131.19 118.91 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.402 -0.592 . . . . 72.23 109.402 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HD23 ' A' ' 82' ' ' LEU . 21.4 t-20 -111.18 118.5 36.13 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.749 -1.204 . . . . 61.54 107.749 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -125.66 145.8 50.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.557 -0.905 . . . . 74.34 108.557 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.62 -28.35 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.385 0.428 . . . . 72.25 110.399 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 38.4 t-20 -102.7 135.87 43.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.856 0.863 . . . . 54.13 110.799 -166.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.04 -30.33 71.3 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.147 0.979 . . . . 74.3 111.883 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.95 -51.09 70.55 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.759 0.662 . . . . 70.34 109.979 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.0 mm? -64.78 -35.61 81.65 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.474 -0.785 . . . . 73.01 111.264 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.4 mt -56.12 -63.44 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 109.593 -0.521 . . . . 65.22 109.593 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -65.05 -31.31 72.47 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.451 0.7 . . . . 61.35 112.881 -172.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -69.77 -49.21 55.16 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.921 0.489 . . . . 74.04 110.91 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.78 -33.98 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.344 0.658 . . . . 70.44 110.764 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.9 mtpt -58.36 -38.48 77.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.184 0.593 . . . . 65.33 110.823 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.16 -42.5 55.89 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.895 0.478 . . . . 70.1 110.852 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -50.2 -37.38 34.94 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.973 0.909 . . . . 75.11 112.474 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 29' ' ' VAL . 10.3 m -102.35 -17.93 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.116 0.566 . . . . 73.01 112.345 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.8 -50.23 74.62 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.061 0.945 . . . . 44.24 109.97 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.95 6.42 13.38 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.699 -1.137 . . . . 74.43 111.81 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -113.81 13.18 18.41 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.198 0.999 . . . . 71.53 111.67 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.22 72.72 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.636 0.615 . . . . 53.21 114.636 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -98.34 115.6 28.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.382 -0.97 . . . . 74.51 108.382 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.98 103.77 0.63 Allowed 'General case' 0 C--O 1.243 0.755 0 O-C-N 123.987 0.804 . . . . 60.14 109.474 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 22' ' ' VAL . 3.0 t -76.89 119.21 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.286 -0.87 . . . . 64.5 110.396 -170.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -128.53 144.44 51.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.815 1.246 . . . . 74.34 108.14 176.272 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -141.95 138.17 31.76 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.877 -0.786 . . . . 65.14 108.877 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 63' ' ' LEU . 53.2 t -98.73 115.89 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 114.792 -1.095 . . . . 62.02 108.762 -173.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.34 -38.59 30.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.207 0.603 . . . . 74.24 111.594 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.31 165.03 29.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.857 0.863 . . . . 70.22 110.902 -163.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 38.0 t -53.41 -40.03 64.77 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.547 1.139 . . . . 74.22 112.697 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 23.5 m-20 -66.84 -40.07 87.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.172 -0.442 . . . . 74.35 110.83 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' HG13 ' A' ' 32' ' ' VAL . 36.9 mm-40 -58.94 -39.63 82.19 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.309 0.644 . . . . 71.55 110.083 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.7 tp -56.15 -61.3 2.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.234 1.014 . . . . 72.45 110.209 174.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.33 -28.32 69.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.174 -0.921 . . . . 71.01 111.697 -171.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 74.3 mmtt -70.39 -53.24 17.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.248 0.619 . . . . 72.24 110.424 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.57 -31.18 63.48 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.994 0.738 . . . . 65.44 112.994 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.625 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 89.1 mmm -66.73 -30.04 70.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.614 0.366 . . . . 70.42 111.463 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 58.8 mttp -63.65 -41.73 98.19 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.228 0.611 . . . . 34.33 110.741 171.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -34.79 78.67 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.654 0.596 . . . . 74.43 110.782 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.56 -40.77 84.93 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.587 -0.733 . . . . 74.14 110.213 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.25 65.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.296 0.638 . . . . 72.3 112.546 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.7 mt-10 -78.4 -0.04 27.58 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.52 0.933 . . . . 60.52 113.52 -176.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -144.87 140.35 28.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.244 0.474 . . . . 64.5 111.643 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -23.73 15.31 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.874 0.869 . . . . 65.42 111.489 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.75 154.47 41.81 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.001 0.921 . . . . 53.11 109.726 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.12 72.44 2.22 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.841 0.857 . . . . 75.32 112.383 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.02 111.33 10.12 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.001 -1.481 . . . . 72.21 107.001 168.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -80.9 86.14 6.1 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.771 0.669 . . . . 75.24 109.302 -170.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.17 113.63 40.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 75.11 107.133 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 22' ' ' VAL . 5.0 tt -91.21 127.6 36.71 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.086 -1.079 . . . . 71.34 108.086 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.702 HG21 ' SD ' ' A' ' 67' ' ' MET . 21.9 mm -111.22 133.07 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.345 -0.613 . . . . 71.03 109.345 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.24 123.7 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.904 -1.147 . . . . 71.44 107.904 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.0 t -121.31 116.46 24.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.511 -1.292 . . . . 72.51 107.511 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -77.3 -19.22 56.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.14 0.976 . . . . 73.21 110.886 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.43 140.39 36.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.712 1.205 . . . . 75.14 109.408 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.08 -35.62 69.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.431 0.692 . . . . 62.01 112.317 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 57.4 tp60 -75.42 -40.61 57.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.505 0.322 . . . . 53.44 110.479 -173.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD13 HG12 ' A' ' 32' ' ' VAL . 96.7 mt -60.78 -36.9 80.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.073 0.549 . . . . 42.23 110.474 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 7.7 tt -61.1 -49.21 78.22 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.204 0.94 . . . . 53.33 110.562 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -55.66 -57.39 12.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.969 0.793 . . . . 71.13 110.803 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 21.1 mm-40 -52.96 -47.2 68.33 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.661 1.225 . . . . 74.15 110.682 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 56' ' ' ILE . 31.6 ttm -57.23 -53.9 52.89 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.63 1.206 . . . . 65.5 111.515 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 71' ' ' ILE . 97.1 mt -67.07 -28.5 68.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.124 0.57 . . . . 65.54 112.19 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.81 -32.03 61.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.173 0.589 . . . . 75.51 111.118 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.98 -37.67 72.73 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.162 0.585 . . . . 75.31 110.042 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 68' ' ' LEU . 85.8 mt -70.31 -30.28 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.769 0.828 . . . . 54.24 110.809 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -60.16 -35.76 76.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.181 0.592 . . . . 61.32 110.302 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -71.69 -36.05 70.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.605 0.762 . . . . 74.35 110.983 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.69 -25.62 59.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.704 0.802 . . . . 72.5 111.554 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.89 30.51 59.35 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 115.973 -0.558 . . . . 70.21 114.075 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -90.57 136.15 33.25 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.513 -0.551 . . . . 64.15 109.513 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -79.69 114.07 18.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.235 -1.024 . . . . 74.13 108.235 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.3 t -101.67 140.73 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.992 -0.549 . . . . 44.45 111.386 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -108.6 116.39 31.88 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.734 -1.58 . . . . 71.12 106.734 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 104' ' ' VAL . 60.2 tp -104.59 128.91 52.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.235 0.614 . . . . 71.33 110.446 -173.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 tp -112.7 117.12 31.35 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.032 -0.729 . . . . 60.52 109.032 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.4 mt -104.88 118.36 36.36 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.136 -0.69 . . . . 43.42 109.136 173.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -109.48 112.59 24.79 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.074 -1.454 . . . . 53.21 107.074 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 10.1 m-20 -128.16 174.9 8.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.152 -0.931 . . . . 72.21 109.276 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.945 -0.57 . . . . 63.31 109.897 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.09 127.42 53.18 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.145 -0.687 . . . . 75.52 109.145 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -76.98 -24.89 52.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.978 0.733 . . . . 62.4 112.978 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.85 -43.45 71.89 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 110.01 -0.367 . . . . 73.2 110.01 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -79.36 -35.27 41.13 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.279 1.032 . . . . 71.31 109.887 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 16.6 tp -54.15 -50.99 65.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.371 1.068 . . . . 73.24 110.406 171.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.93 -39.58 69.35 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.529 0.732 . . . . 73.24 111.235 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.32 -46.65 72.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.282 1.033 . . . . 75.42 110.823 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -81.27 -35.04 31.62 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.99 0.916 . . . . 63.0 110.969 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -60.42 -52.76 63.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.314 1.046 . . . . 70.22 111.58 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.46 -24.45 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.183 0.993 . . . . 73.43 112.465 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -63.6 -49.56 72.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.926 0.89 . . . . 71.55 109.873 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -82.65 -33.09 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.495 -1.684 . . . . 75.11 110.514 -171.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.5 -36.18 82.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.175 0.99 . . . . 75.23 108.787 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.8 t -70.52 -20.8 62.8 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.345 -0.843 . . . . 72.33 111.431 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -77.41 -4.06 43.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.245 0.618 . . . . 75.21 111.722 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.97 39.7 4.26 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 112.334 -0.306 . . . . 44.24 112.334 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -118.04 135.91 53.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.403 0.681 . . . . 75.12 109.429 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.61 102.71 8.11 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 108.776 -0.824 . . . . 74.41 108.776 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 80' ' ' LEU . 5.6 t -118.16 139.67 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.214 0.606 . . . . 63.41 110.069 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -120.31 156.8 30.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.53 0.732 . . . . 72.11 109.372 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -94.24 141.87 28.07 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.757 -0.831 . . . . 72.33 108.757 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 p -155.16 142.03 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 123.867 0.729 . . . . 73.24 110.807 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.9 p -123.47 -29.83 3.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.21 1.004 . . . . 61.03 109.995 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.01 143.27 32.63 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.556 0.743 . . . . 63.41 109.904 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.557 ' HA ' HD11 ' A' ' 14' ' ' LEU . 6.3 p-10 -74.49 -35.21 63.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.586 0.354 . . . . 70.41 111.582 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.66 -49.77 56.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.04 0.536 . . . . 61.34 109.802 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 116' ' ' ILE . 26.4 mm-40 -58.51 -38.98 78.85 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.085 0.865 . . . . 65.44 110.82 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.65 -51.45 63.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.908 0.883 . . . . 33.41 111.178 177.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.02 -35.09 74.33 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.915 0.759 . . . . 72.24 110.961 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' HG2' ' NH2' ' A' ' 118' ' ' ARG . 96.2 mttt -71.04 -46.22 62.48 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.295 -0.866 . . . . 61.24 111.267 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 112' ' ' GLU . 41.3 mm -70.41 -27.65 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.25 0.62 . . . . 64.51 110.434 -175.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -57.62 -48.7 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.425 -0.583 . . . . 72.13 109.425 168.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 115' ' ' LYS . 82.0 mtm-85 -70.17 -22.17 62.99 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.69 -0.686 . . . . 75.0 111.629 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -70.91 -46.92 61.68 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.218 0.607 . . . . 72.14 109.95 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -66.39 -35.41 80.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.626 0.77 . . . . 65.2 112.012 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.535 ' SD ' HG12 ' A' ' 22' ' ' VAL . 69.1 mtm -73.23 -24.92 60.55 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.666 0.604 . . . . 62.13 110.806 174.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -72.93 -46.74 50.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.467 0.707 . . . . 65.25 110.488 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.06 -36.91 83.07 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.687 -0.688 . . . . 73.02 109.778 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.12 87.43 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.428 -0.805 . . . . 62.11 109.993 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.36 67.88 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 124.008 0.817 . . . . 55.31 112.772 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.8 t -72.49 -39.1 67.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.865 0.866 . . . . 72.33 110.309 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.25 -17.59 34.32 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.786 0.835 . . . . 72.35 111.33 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -81.64 -64.47 1.18 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.916 1.286 . . . . 71.53 109.006 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -74.96 96.82 3.23 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.845 -1.539 . . . . 71.54 106.845 174.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -73.17 85.21 1.37 Allowed 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.921 0.763 . . . . 75.21 111.885 -168.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -70.23 -25.13 63.24 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 114.778 -1.101 . . . . 72.05 108.883 168.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 55.6 99.12 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.861 2.064 . . . . 74.13 113.286 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -85.75 -61.07 1.84 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.637 0.775 . . . . 74.52 109.447 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 . . . . . 0 CA--C 1.551 1.008 0 C-N-CA 124.681 1.192 . . . . 71.44 108.743 175.695 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.666 -0.494 . . . . 62.34 109.666 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -155.0 158.78 39.69 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.031 -0.729 . . . . 70.34 109.031 169.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.1 130.85 62.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-N 115.806 -0.634 . . . . 71.12 109.913 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' HB2' HG22 ' A' ' 78' ' ' VAL . 86.5 mt -126.19 118.19 24.68 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.463 1.105 . . . . 63.34 108.711 173.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.2 mm -93.26 105.19 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.923 -1.14 . . . . 63.33 107.923 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.663 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -91.69 124.07 35.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.445 -1.317 . . . . 62.01 107.445 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.449 HD12 HD21 ' A' ' 55' ' ' LEU . 77.2 mt -126.69 119.11 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.863 -0.791 . . . . 73.51 108.863 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' HB2' HD12 ' A' ' 64' ' ' LEU . 21.9 t-20 -104.68 124.04 48.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.983 -1.488 . . . . 75.34 106.983 170.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 9.0 t -126.13 142.5 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.674 0.609 . . . . 70.13 109.647 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -80.64 -29.56 36.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.261 0.624 . . . . 74.34 109.637 170.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.534 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.7 m-20 -99.26 124.53 44.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.69 0.796 . . . . 51.13 111.071 -174.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.76 -19.09 64.71 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.555 1.142 . . . . 60.3 113.107 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.56 -43.99 89.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.08 0.552 . . . . 74.44 110.554 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -65.23 -29.92 70.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.573 -0.285 . . . . 74.1 111.697 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 HD21 ' A' ' 59' ' ' ASN . 56.1 mt -60.48 -60.8 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 N-CA-C 109.542 -0.54 . . . . 74.13 109.542 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.76 -41.74 99.36 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.211 0.605 . . . . 65.05 111.831 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.4 mtpt -69.16 -55.11 11.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.402 0.681 . . . . 73.41 111.268 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -57.56 -37.08 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.599 0.76 . . . . 70.53 110.409 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.6 mttm -53.45 -43.25 67.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.893 0.477 . . . . 73.44 111.772 175.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -77.15 -46.45 23.37 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.684 0.794 . . . . 74.52 111.549 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 7.5 mm-40 -50.01 -48.76 52.39 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.54 0.736 . . . . 73.53 111.434 176.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.752 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.2 m -88.86 -12.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.897 -0.592 . . . . 61.11 111.287 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.93 -38.62 91.74 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.087 -0.709 . . . . 71.13 109.087 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -67.57 -25.02 65.58 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.659 -1.155 . . . . 73.24 110.767 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 16.9 mm100 -103.12 3.59 36.06 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.816 0.846 . . . . 72.54 112.486 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.25 75.58 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 115.476 0.95 . . . . 53.32 115.476 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -105.44 125.7 51.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 117.476 0.638 . . . . 71.11 110.168 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -73.32 99.73 2.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.855 0.862 . . . . 64.41 109.6 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 19' ' ' LYS . 22.0 t -82.33 134.16 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.558 0.343 . . . . 73.22 111.131 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -127.62 117.37 21.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.771 -1.566 . . . . 75.22 106.771 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.98 131.96 45.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 109.585 -0.524 . . . . 65.23 109.585 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -129.12 117.3 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.227 1.011 . . . . 74.21 108.941 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.58 22.89 3.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.605 1.162 . . . . 63.14 108.293 169.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -140.36 144.34 36.22 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.408 1.083 . . . . 74.23 109.906 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 t -58.45 -47.01 85.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.772 0.829 . . . . 72.53 111.693 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 11.5 m-20 -68.27 -25.96 65.42 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 119.306 -0.378 . . . . 73.22 111.885 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.17 -40.37 74.75 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.118 0.417 . . . . 72.14 110.889 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -55.39 34.88 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.693 0.621 . . . . 70.24 110.322 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 39.6 mtpt -62.45 -43.09 99.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.34 -1.3 . . . . 72.2 110.905 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -62.06 -43.74 98.19 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.058 0.943 . . . . 63.13 110.542 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.8 mm-40 -69.37 -30.65 68.7 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.681 0.613 . . . . 64.1 111.703 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -70.24 -32.73 70.72 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.611 0.365 . . . . 73.25 111.359 176.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.9 mmtp -64.72 -42.27 95.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.008 -0.738 . . . . 74.31 109.008 173.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.65 -42.42 99.59 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 124.221 0.951 . . . . 74.21 111.283 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 92.9 mt -67.02 -31.99 72.91 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.906 0.482 . . . . 75.21 110.912 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.52 56.69 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.769 -0.65 . . . . 74.22 111.789 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -85.25 -36.79 20.69 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.83 0.852 . . . . 72.13 111.334 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.4 87.73 3.69 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.887 0.851 . . . . 51.24 108.788 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.15 2.18 28.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.16 -1.382 . . . . 72.32 112.016 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -71.48 161.08 31.6 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.313 1.045 . . . . 61.44 110.84 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -88.61 31.33 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.153 0.581 . . . . 74.44 111.739 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -53.59 128.6 29.79 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.659 1.184 . . . . 71.44 111.571 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -77.9 95.52 4.78 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.31 1.044 . . . . 71.24 109.037 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' HB ' HD23 ' A' ' 4' ' ' LEU . 59.4 mt -113.33 142.3 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -124.33 125.89 45.09 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.05 -1.463 . . . . 74.24 107.05 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.663 ' HB ' HD22 ' A' ' 6' ' ' LEU . 12.0 mm -111.55 122.11 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.612 -0.884 . . . . 74.54 108.612 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.58 140.5 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 108.873 -0.788 . . . . 73.53 108.873 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -141.44 167.3 22.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.552 1.141 . . . . 74.32 107.957 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.573 HD21 HD11 ' A' ' 15' ' ' ILE . 14.3 m120 -118.0 -7.67 10.83 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.427 0.691 . . . . 75.03 110.409 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -116.95 134.97 54.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 73.42 110.502 -167.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -77.29 -25.86 51.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.582 1.153 . . . . 63.02 112.085 -175.132 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.72 -43.1 38.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.461 0.304 . . . . 70.12 110.295 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.11 -34.86 79.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.534 0.734 . . . . 64.44 110.259 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.6 tt -65.56 -41.46 92.93 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.827 -0.624 . . . . 51.14 110.668 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -58.62 -58.78 7.05 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.619 0.574 . . . . 75.11 110.012 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -52.25 -41.82 63.12 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.865 0.728 . . . . 73.33 111.213 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.3 tpp -54.62 -63.02 1.29 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.164 0.986 . . . . 74.21 111.184 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -26.14 64.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.417 0.687 . . . . 53.25 112.581 -171.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.11 -33.74 50.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.7 0.4 . . . . 73.33 110.258 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 42' ' ' MET . 76.6 mt -71.55 -37.3 71.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.349 0.66 . . . . 64.3 110.616 172.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 74' ' ' LEU . 80.6 mt -72.6 -26.0 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.232 0.613 . . . . 52.44 110.296 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -65.11 -33.68 76.6 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.156 0.582 . . . . 75.12 110.07 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.38 -39.66 71.06 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.581 -0.736 . . . . 73.2 110.755 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 71' ' ' ILE . 71.3 mt -69.47 -36.1 76.24 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.927 0.891 . . . . 72.11 111.528 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.57 42.98 31.32 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.011 -0.54 . . . . 61.54 113.455 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.4 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.9 m-30 -98.36 140.72 32.21 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.641 0.376 . . . . 75.44 111.251 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -72.43 107.9 5.23 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.529 -0.915 . . . . 61.2 108.529 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 4' ' ' LEU . 98.1 t -106.61 139.92 26.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 123.367 0.667 . . . . 72.34 111.203 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.514 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.4 m-85 -109.52 113.38 26.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.062 -1.458 . . . . 72.13 107.062 166.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 64' ' ' LEU . 57.8 tp -96.71 139.38 32.86 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.119 0.568 . . . . 65.31 111.786 -175.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 22.4 tp -124.87 126.76 46.07 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.418 1.087 . . . . 34.22 108.16 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -113.48 113.41 25.11 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 108.604 -0.888 . . . . 55.13 108.604 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 23.6 tm0? -112.37 102.89 10.99 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.81 -1.181 . . . . 74.02 107.81 174.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -151.52 136.38 17.25 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.237 -1.394 . . . . 70.22 107.237 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.35 -24.27 59.15 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.079 0.4 . . . . 65.32 112.079 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.44 84.33 5.34 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.04 -0.726 . . . . 73.12 109.04 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.682 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 36.2 mt-10 -68.59 -13.93 62.67 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.801 0.667 . . . . 74.14 112.801 -174.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.33 -52.53 32.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.689 0.796 . . . . 32.34 110.001 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.59 -34.38 65.07 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.228 -0.896 . . . . 64.33 110.236 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.682 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 14.9 tp -64.97 -35.82 82.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 62.03 110.584 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.47 -49.79 74.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.003 0.521 . . . . 73.25 110.6 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 30.2 mm-40 -69.34 -40.92 77.26 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.635 -0.711 . . . . 75.55 111.291 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 24.4 t80 -69.82 -34.4 73.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 116.324 -0.398 . . . . 75.22 110.242 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' HG11 ' A' ' 104' ' ' VAL . 19.2 ttpt -58.74 -58.13 9.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.883 0.873 . . . . 64.13 110.665 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.503 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 2.3 ptm180 -67.41 -24.67 65.68 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.229 0.825 . . . . 71.23 113.229 -170.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.4 mptm? -72.86 -37.43 67.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.518 0.327 . . . . 71.31 111.105 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.9 mt -85.34 -23.74 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-O 121.584 0.707 . . . . 53.41 110.289 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 32.0 tt0 -64.75 -33.69 76.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.712 1.205 . . . . 75.53 109.14 171.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.0 t -70.96 -26.38 63.14 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 114.933 -1.031 . . . . 75.02 110.802 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -79.5 -0.82 34.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.632 0.773 . . . . 73.32 111.621 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.84 82.39 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 122.961 0.315 . . . . 53.3 113.298 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 97' ' ' ILE . 55.8 m-85 -82.61 144.64 30.17 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 122.68 0.392 . . . . 72.54 110.728 176.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -74.2 92.45 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.07 -0.968 . . . . 72.04 109.073 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.5 t -103.77 119.68 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.414 -0.587 . . . . 74.34 109.414 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -116.97 134.91 54.14 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.663 0.785 . . . . 75.12 109.155 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HB2' HD21 ' A' ' 90' ' ' LEU . 17.9 ptmt -97.91 155.93 16.84 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.851 0.86 . . . . 74.22 110.03 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -169.15 158.92 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.611 0.764 . . . . 73.12 109.463 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -128.48 -33.82 2.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.797 0.839 . . . . 73.13 110.584 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.62 144.29 26.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.153 0.581 . . . . 72.11 110.395 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.0 -38.64 66.55 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.574 0.749 . . . . 73.42 111.245 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.72 -41.39 92.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.509 0.724 . . . . 71.13 109.923 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.506 ' O ' HG12 ' A' ' 116' ' ' ILE . 14.4 tp10 -75.03 -32.85 61.69 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 115.063 -0.971 . . . . 65.11 110.333 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.42 -42.7 99.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.001 0.52 . . . . 63.21 111.046 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.555 HD11 ' HE2' ' A' ' 17' ' ' LYS . 80.7 mt -62.27 -35.72 79.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.431 0.692 . . . . 75.34 110.586 176.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 53.0 mtpt -70.73 -27.07 63.69 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.081 -0.963 . . . . 74.21 111.227 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 112' ' ' GLU . 26.4 mm -78.9 -36.07 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.414 -0.587 . . . . 52.45 109.414 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 113' ' ' ALA . 96.1 t -63.09 -39.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.497 0.719 . . . . 75.52 110.062 176.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.6 ptt180 -62.07 -35.5 78.83 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.361 0.413 . . . . 73.21 109.904 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 67.3 mm-40 -63.68 -47.09 82.64 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.977 0.798 . . . . 64.54 109.919 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' ILE . 25.6 m-85 -59.16 -47.23 86.08 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.102 0.876 . . . . 75.14 111.415 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.752 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -66.78 -38.49 86.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.746 0.819 . . . . 72.43 112.002 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -68.32 -41.44 80.82 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.212 1.005 . . . . 75.24 111.516 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 46.5 mttp -75.22 -37.16 61.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.404 0.682 . . . . 72.02 110.534 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.75 -34.2 75.19 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.326 0.65 . . . . 21.11 110.063 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.56 89.04 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 114.84 -1.073 . . . . 54.33 112.368 172.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 m -74.51 -31.54 62.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.114 0.566 . . . . 75.42 110.537 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 41.0 mt -78.46 -0.41 29.22 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.373 0.669 . . . . 71.31 111.684 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.68 -19.18 49.61 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.698 0.799 . . . . 70.34 111.448 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -131.98 147.46 52.46 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.717 0.807 . . . . 75.22 110.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.7 m80 62.42 20.36 11.81 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.363 1.065 . . . . 74.43 112.247 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -88.9 28.49 1.16 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.267 1.027 . . . . 71.05 111.485 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -51.13 -44.51 61.37 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 73.45 110.583 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -149.64 104.37 3.34 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.55 -0.907 . . . . 61.43 108.55 169.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 124.112 0.965 . . . . 73.52 108.503 177.695 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.992 0.425 . . . . 64.44 110.423 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 53' ' ' LYS . 26.7 ttpt -152.43 96.14 2.12 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.996 0.919 . . . . 72.41 108.536 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 77' ' ' LYS . 20.7 mt -94.31 129.01 45.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.276 -0.875 . . . . 72.22 108.937 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.71 110.05 21.98 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.741 -0.837 . . . . 61.04 108.741 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 mm -84.9 106.84 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 107.899 -1.148 . . . . 64.43 107.899 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.659 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.76 138.23 31.72 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.261 -1.385 . . . . 72.23 107.261 -177.517 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.52 HD12 HD21 ' A' ' 55' ' ' LEU . 79.2 mt -138.7 131.8 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.031 0.532 . . . . 74.21 109.68 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -120.62 114.64 22.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 107.375 -1.343 . . . . 60.43 107.375 168.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -124.96 144.41 50.38 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 64.12 108.892 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.18 -11.26 47.33 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.012 0.434 . . . . 73.13 109.988 173.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.54 129.34 36.02 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.23 1.012 . . . . 72.03 110.284 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.11 -38.39 78.89 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.645 0.591 . . . . 64.42 111.212 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.02 -44.32 94.69 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 74.35 110.638 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.0 -24.95 67.36 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.872 0.693 . . . . 72.34 112.872 -175.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.8 mt -57.95 -58.76 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 O-C-N 123.562 0.539 . . . . 74.34 110.062 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.15 -32.67 63.24 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.043 0.386 . . . . 71.34 112.043 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 114' ' ' LEU . 30.1 mtpp -60.91 -51.96 67.05 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.223 0.609 . . . . 62.11 109.938 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 7' ' ' ILE . 90.1 mt -64.71 -38.14 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.075 0.859 . . . . 64.31 110.498 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' HG11 ' A' ' 29' ' ' VAL . 95.8 mttt -55.85 -43.04 76.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.286 0.366 . . . . 73.44 111.518 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -72.1 -43.55 64.62 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.553 0.533 . . . . 75.44 110.53 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -50.12 -48.32 53.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.194 -0.912 . . . . 71.1 112.464 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.41 -15.04 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.081 0.552 . . . . 62.42 111.596 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.656 0.741 . . . . 72.43 109.482 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.54 -25.12 66.51 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.973 -1.467 . . . . 75.24 111.118 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.96 -2.88 56.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.017 0.927 . . . . 74.11 112.048 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 34.68 72.85 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 115.06 0.784 . . . . 74.21 115.06 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -102.39 125.22 49.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.793 -0.817 . . . . 70.5 108.793 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -82.35 118.69 23.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.34 -0.615 . . . . 62.23 109.34 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 19' ' ' LYS . 26.3 t -88.54 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.909 0.483 . . . . 74.04 110.349 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -125.86 137.63 53.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 106.615 -1.624 . . . . 74.14 106.615 167.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -121.95 126.41 48.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 107.823 -1.177 . . . . 73.15 107.823 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 38' ' ' LEU . 96.7 t -105.19 115.32 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 123.809 0.844 . . . . 74.03 109.564 -170.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.04 -17.7 18.99 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.32 0.648 . . . . 73.44 111.606 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.07 154.25 41.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.413 0.285 . . . . 61.24 111.044 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.7 p -55.56 -47.15 76.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.299 1.039 . . . . 71.52 112.695 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 4.7 m-20 -62.76 -33.61 75.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.547 0.339 . . . . 75.22 111.134 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.49 -51.34 69.05 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.72 0.638 . . . . 72.12 110.013 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 9.0 tt -49.61 -47.52 49.55 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.547 1.139 . . . . 53.42 110.947 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' SER . 24.6 mtpp -73.09 -25.69 60.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 74.32 111.362 -174.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 45.5 mmtm -70.15 -41.9 73.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.911 0.485 . . . . 70.01 110.308 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 8.9 mm-40 -59.24 -42.32 90.8 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.938 0.774 . . . . 72.23 110.494 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' HD13 ' A' ' 70' ' ' LEU . 23.0 mmt -60.2 -36.14 76.98 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.729 0.811 . . . . 71.12 112.353 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -68.81 -38.41 79.9 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.232 -0.895 . . . . 74.52 110.25 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.42 -34.14 74.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.852 0.461 . . . . 74.31 110.639 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.6 mt -65.43 -28.45 69.25 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.609 0.764 . . . . 73.54 111.335 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.32 -49.8 9.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.336 0.655 . . . . 74.14 110.991 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.85 -44.28 70.19 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.356 1.062 . . . . 74.31 111.424 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -84.58 125.46 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.084 -1.45 . . . . 74.24 107.084 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.9 156.44 37.18 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.243 0.964 . . . . 70.51 110.844 -172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -78.8 72.32 5.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 122.088 0.947 . . . . 65.31 111.299 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -136.73 19.15 3.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.593 1.157 . . . . 65.01 108.877 173.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.24 125.53 6.75 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.046 0.938 . . . . 70.22 108.819 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -90.94 130.15 36.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.061 0.544 . . . . 73.42 109.985 -174.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mm -111.47 115.83 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.133 0.573 . . . . 51.45 109.598 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -83.94 134.86 34.65 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.085 -1.08 . . . . 63.44 108.085 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.659 ' HB ' HD22 ' A' ' 6' ' ' LEU . 16.0 mm -116.53 135.58 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.032 0.533 . . . . 62.44 109.724 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -115.63 136.52 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 107.343 -1.355 . . . . 72.13 107.343 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -142.19 128.9 20.42 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.875 -1.158 . . . . 42.53 107.875 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.44 -9.15 59.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.736 0.414 . . . . 75.22 110.734 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.2 137.16 52.33 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.434 0.694 . . . . 64.11 111.098 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.75 -29.59 36.24 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.874 -1.057 . . . . 34.1 113.167 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -69.41 -41.37 76.47 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.515 -0.55 . . . . 74.11 109.515 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.06 -45.36 87.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.375 -0.83 . . . . 41.35 109.989 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -53.25 -48.35 68.3 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.942 0.776 . . . . 71.04 111.417 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.78 -54.41 46.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.867 0.467 . . . . 71.34 111.792 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -49.31 68.32 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.038 1.335 . . . . 63.45 109.823 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 56' ' ' ILE . 4.3 ttp -53.61 -52.91 58.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 113.012 -1.904 . . . . 73.15 112.879 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.527 HD21 ' HG ' ' A' ' 6' ' ' LEU . 80.2 mt -65.35 -33.9 77.05 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.607 0.595 . . . . 74.35 112.607 -175.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.89 -30.36 65.31 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.551 0.532 . . . . 53.22 110.554 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 42' ' ' MET . 95.2 mt -72.14 -37.84 69.36 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 122.721 0.408 . . . . 74.22 111.179 171.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.466 HD12 HD23 ' A' ' 68' ' ' LEU . 68.4 mt -68.51 -29.17 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 122.99 0.516 . . . . 60.52 110.357 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -61.15 -34.51 75.14 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.411 0.684 . . . . 63.41 110.534 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -72.02 -30.75 65.52 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.06 0.457 . . . . 74.31 110.259 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.1 -22.91 48.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.656 0.782 . . . . 73.22 110.859 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.03 31.48 75.21 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.007 -0.542 . . . . 53.31 113.987 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -88.86 150.64 22.79 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.009 0.523 . . . . 75.13 111.797 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' HE2' HD13 ' A' ' 127' ' ' LEU . 31.4 mmmt -66.85 117.25 8.69 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.66 -1.155 . . . . 65.04 109.191 173.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 68' ' ' LEU . 54.5 t -108.84 122.52 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.881 -0.414 . . . . 72.03 109.881 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -110.67 111.3 22.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.144 -1.798 . . . . 75.31 106.144 167.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 tp -106.29 133.79 50.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.577 0.751 . . . . 74.35 110.613 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD13 HG21 ' A' ' 116' ' ' ILE . 39.4 tp -115.68 118.5 33.24 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 63.21 109.455 173.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 90' ' ' LEU . 85.1 mt -103.27 122.89 45.72 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.831 0.853 . . . . 72.45 109.561 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -113.76 109.41 18.52 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.497 -0.927 . . . . 71.11 108.497 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -154.58 148.34 25.46 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.345 0.403 . . . . 62.02 110.066 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.5 -40.39 26.19 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.189 0.596 . . . . 70.51 112.287 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -86.37 95.62 9.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.277 -0.638 . . . . 52.42 109.277 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.3 mt-10 -71.6 -18.27 62.23 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.821 0.674 . . . . 72.24 112.821 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 3.9 m-20 -64.43 -46.93 81.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.288 -0.634 . . . . 71.12 109.288 172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.03 -36.96 58.88 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.368 -0.833 . . . . 71.12 110.357 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 30.1 tp -66.92 -51.62 53.05 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 123.889 0.876 . . . . 71.13 110.826 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 25.5 tp10 -59.43 -51.63 69.07 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.226 0.954 . . . . 63.23 110.041 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 1.4 tm-20 -52.72 -52.63 55.47 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.678 1.236 . . . . 74.13 111.472 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.83 -40.82 98.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.644 1.178 . . . . 74.21 111.146 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.04 -30.97 71.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.102 0.961 . . . . 51.52 111.054 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 9.0 mmm180 -63.64 -36.92 85.4 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.677 0.391 . . . . 73.22 111.295 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.9 -46.49 90.41 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.184 -0.916 . . . . 72.35 110.732 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.43 HG21 HD23 ' A' ' 80' ' ' LEU . 18.7 mt -74.54 -29.53 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 114.687 -1.142 . . . . 71.51 110.902 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.93 -34.46 73.49 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.526 -1.216 . . . . 72.31 109.805 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -73.88 -20.76 60.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.627 0.771 . . . . 74.24 110.991 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -71.88 -12.65 61.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.705 0.402 . . . . 74.22 110.584 172.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.96 52.69 4.23 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.769 -0.532 . . . . 54.24 111.769 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -127.64 145.07 51.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.159 0.584 . . . . 74.42 109.824 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.67 94.76 3.28 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.594 -0.891 . . . . 73.44 108.594 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.78 109.3 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.411 -0.588 . . . . 52.21 109.411 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 0.7 OUTLIER -101.83 150.56 23.04 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.237 -0.653 . . . . 74.45 109.237 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -98.4 155.42 17.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.703 0.801 . . . . 63.32 109.123 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.95 152.32 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.267 0.627 . . . . 74.42 110.289 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -119.01 -40.57 2.83 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.352 0.661 . . . . 54.44 111.581 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -94.91 155.29 16.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.814 0.446 . . . . 73.13 111.523 -172.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.61 -45.33 68.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.93 0.892 . . . . 73.15 112.182 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.68 -37.16 70.78 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.207 0.527 . . . . 64.03 109.745 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.29 -36.33 83.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.517 1.127 . . . . 75.41 111.04 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.52 -44.64 95.86 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.38 0.425 . . . . 23.22 110.657 175.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 17' ' ' LYS . 72.2 mt -59.83 -33.21 71.46 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.905 0.753 . . . . 55.02 110.652 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.2 mmmp? -71.04 -53.02 16.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.367 -0.833 . . . . 64.21 111.445 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.416 HG21 HD13 ' A' ' 81' ' ' LEU . 38.1 mm -63.3 -32.81 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 117.881 0.309 . . . . 71.44 111.126 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.2 t -64.2 -46.25 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.227 0.611 . . . . 70.1 110.832 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.6 ptm180 -69.89 -29.93 67.24 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.916 0.135 . . . . 71.14 110.67 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 45.7 mm-40 -69.57 -44.34 71.05 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.463 -0.569 . . . . 73.21 109.463 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 7.9 m-30 -55.15 -44.8 75.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.387 1.075 . . . . 70.33 112.15 175.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 118' ' ' ARG . 69.0 mtm -71.29 -27.28 63.31 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.782 0.676 . . . . 51.14 112.035 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -76.34 -38.07 56.44 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.696 0.399 . . . . 74.42 110.418 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 68.1 mttm -60.68 -50.63 72.71 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.825 -0.806 . . . . 60.4 108.825 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.75 85.1 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.865 -1.516 . . . . 71.42 110.984 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.11 -25.24 66.07 Favored Glycine 0 C--N 1.346 1.085 0 O-C-N 124.361 1.038 . . . . 71.33 113.102 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.6 m -77.93 -37.96 46.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 122.776 0.43 . . . . 73.52 110.493 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.437 HD13 ' HE2' ' A' ' 77' ' ' LYS . 81.7 mt -76.7 -46.35 25.85 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.774 0.83 . . . . 62.32 111.53 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -46.92 -57.53 4.87 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 124.978 1.311 . . . . 54.3 111.944 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -74.28 91.89 2.21 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.498 -1.228 . . . . 60.44 108.825 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -86.62 89.13 7.82 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.918 0.887 . . . . 72.41 109.719 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m170 62.35 -87.6 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.154 1.382 . . . . 73.42 111.372 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -107.01 -21.16 13.09 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.16 0.584 . . . . 75.34 110.912 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.85 114.37 12.06 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.984 -0.747 . . . . 74.01 108.984 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.8 m80 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 118.527 -0.749 . . . . 64.44 110.144 -175.736 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.233 -0.654 . . . . 74.2 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 51' ' ' PHE . 55.2 mttp -128.47 147.8 50.69 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.613 0.365 . . . . 74.4 110.199 174.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 77' ' ' LYS . 39.1 mt -114.65 109.76 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 107.624 -1.25 . . . . 72.25 107.624 167.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.8 122.77 46.43 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.474 -0.936 . . . . 61.52 108.474 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 33.6 mm -89.71 112.21 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 108.034 -1.098 . . . . 64.31 108.034 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -93.83 134.85 35.75 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 107.344 -1.354 . . . . 73.02 107.344 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.429 HD12 HD21 ' A' ' 55' ' ' LEU . 82.2 mt -139.55 128.0 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.33 0.652 . . . . 62.21 109.342 176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 64' ' ' LEU . 24.3 t-20 -119.9 112.7 19.53 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.353 -0.98 . . . . 70.34 108.353 169.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -127.92 140.77 51.81 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.419 1.087 . . . . 71.45 108.301 167.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.08 -4.88 59.18 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.225 0.61 . . . . 64.45 110.283 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.49 109.76 21.61 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.998 0.919 . . . . 72.4 108.616 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.29 -18.63 64.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.971 0.908 . . . . 73.32 111.914 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.02 -56.16 24.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.255 0.972 . . . . 75.11 109.003 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.1 mm? -65.08 -36.27 83.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.077 -0.51 . . . . 72.31 111.433 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' HE2' ' A' ' 19' ' ' LYS . 60.5 mt -53.75 -56.53 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.655 0.597 . . . . 74.23 110.466 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.46 -37.28 74.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.088 0.403 . . . . 71.22 112.088 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.9 mtpt -66.76 -44.43 81.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.109 0.564 . . . . 64.22 111.163 -177.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.418 HD13 HD13 ' A' ' 7' ' ' ILE . 87.2 mt -62.87 -42.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 123.885 0.741 . . . . 71.31 109.683 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HE2' HG22 ' A' ' 15' ' ' ILE . 55.4 mtmt -60.95 -31.44 70.99 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 119.113 -0.47 . . . . 73.22 111.741 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -72.3 -52.16 17.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.426 0.29 . . . . 75.54 110.58 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 mm-40 -43.82 -53.98 5.57 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.137 0.975 . . . . 70.03 112.054 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.557 HG12 ' SD ' ' A' ' 121' ' ' MET . 6.1 m -83.6 -21.28 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.631 -1.168 . . . . 73.12 111.885 -169.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.48 -46.74 86.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.908 0.883 . . . . 72.01 110.004 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -65.02 -29.5 70.41 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.265 -0.88 . . . . 70.12 110.654 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.6 mm-40 -83.35 -0.02 47.94 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.318 0.647 . . . . 74.22 111.809 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.6 29.32 57.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.852 0.701 . . . . 72.22 114.852 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -102.42 122.76 44.93 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 117.373 0.587 . . . . 75.23 109.703 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -84.56 120.1 25.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.342 0.657 . . . . 75.13 109.512 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 23.2 t -96.03 143.49 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.329 0.652 . . . . 70.53 111.273 -175.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -118.72 118.08 30.66 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.257 -1.016 . . . . 64.12 108.257 171.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.11 116.92 23.13 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.094 -1.076 . . . . 75.21 108.094 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.08 115.77 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 108.263 -1.014 . . . . 74.23 108.263 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -137.97 17.38 2.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.681 1.192 . . . . 55.32 108.399 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -143.74 138.19 28.64 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.576 1.151 . . . . 72.23 110.296 -176.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.4 t -63.8 -42.75 97.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.161 0.984 . . . . 62.42 113.154 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.06 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 123.038 0.211 . . . . 35.34 110.626 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 22.4 mm-40 -64.93 -46.25 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.838 0.455 . . . . 72.2 110.366 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 66' ' ' GLU . 6.9 tt -55.67 -51.01 68.73 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.039 0.936 . . . . 70.0 111.264 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -69.52 -40.87 76.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.262 -0.881 . . . . 74.12 111.474 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -72.46 -24.09 61.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.007 0.523 . . . . 60.33 111.657 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 48.7 mm-40 -68.29 -44.11 76.21 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 110.026 -0.361 . . . . 72.53 110.026 169.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.533 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -64.57 -25.68 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.333 0.653 . . . . 62.3 112.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.08 -57.71 10.57 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.562 0.539 . . . . 73.55 109.892 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -65.61 -33.97 77.14 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.584 0.754 . . . . 75.3 112.242 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.682 0.793 . . . . 63.21 110.184 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.88 77.07 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.141 0.423 . . . . 70.03 112.141 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.39 -8.58 51.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.533 0.733 . . . . 72.24 112.408 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 65.37 10.47 6.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.608 1.163 . . . . 74.31 111.907 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.79 -23.02 39.58 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.508 1.123 . . . . 62.31 109.637 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -115.58 79.55 1.31 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 107.476 -1.305 . . . . 73.42 107.476 167.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.549 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 87.0 t80 -76.26 -18.51 58.97 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.114 0.565 . . . . 70.13 110.856 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -53.47 150.96 6.11 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.534 1.133 . . . . 61.43 112.307 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' NZ ' ' HG3' ' A' ' 128' ' ' GLU . 13.3 mmmm -73.95 101.09 3.71 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.393 0.677 . . . . 72.31 109.348 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -100.55 122.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 115.894 -0.594 . . . . 73.34 109.919 -170.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 7.1 tt -87.83 127.71 35.34 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.245 -1.391 . . . . 65.43 107.245 169.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.2 mm -107.02 112.27 39.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.9 -0.778 . . . . 72.23 108.9 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.4 mt -95.19 114.53 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.037 -1.468 . . . . 61.21 107.037 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -112.1 118.53 35.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.852 -1.536 . . . . 33.33 106.852 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.12 -32.16 72.25 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.681 0.613 . . . . 75.23 110.385 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -100.33 134.86 42.64 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 74.13 109.817 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.4 -22.97 47.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.543 0.737 . . . . 64.33 112.937 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 6.7 tp60 -72.44 -42.02 65.5 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.983 -0.747 . . . . 75.14 108.983 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.47 -31.54 72.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.28 0.632 . . . . 75.31 110.689 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 80' ' ' LEU . 6.9 tt -61.12 -47.33 86.77 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.855 0.462 . . . . 64.31 110.182 173.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.91 -56.52 20.96 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.821 0.701 . . . . 60.14 110.982 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 38' ' ' LEU . 8.6 mm-40 -57.59 -39.03 75.89 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.966 0.791 . . . . 70.31 110.619 -176.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.463 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.2 tpp -56.22 -56.63 18.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.395 1.059 . . . . 73.0 110.243 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD23 HD12 ' A' ' 71' ' ' ILE . 95.5 mt -72.58 -27.63 62.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.641 0.776 . . . . 45.43 112.935 -172.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.55 -36.14 60.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.919 0.488 . . . . 75.44 110.071 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD13 ' HG3' ' A' ' 42' ' ' MET . 79.6 mt -67.38 -38.69 85.13 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.43 110.65 170.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 76' ' ' TYR . 84.9 mt -67.2 -30.33 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.601 0.761 . . . . 74.42 110.162 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -68.22 -35.48 78.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.951 0.501 . . . . 71.33 110.311 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.64 -38.47 77.17 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.84 0.856 . . . . 75.21 110.672 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.93 -18.74 49.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.982 0.913 . . . . 70.43 111.502 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.84 29.87 68.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.469 0.948 . . . . 74.44 115.469 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.553 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.0 m-85 -83.62 146.15 28.44 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.102 0.951 . . . . 64.03 111.135 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HB3' HG12 ' A' ' 3' ' ' ILE . 15.7 tppt? -73.87 124.94 27.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.487 0.715 . . . . 71.31 110.079 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.35 139.35 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.383 0.611 . . . . 72.52 111.335 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -112.25 113.91 26.4 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 106.638 -1.616 . . . . 74.23 106.638 166.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 64' ' ' LEU . 31.6 tp -102.17 140.94 35.78 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.614 0.765 . . . . 53.23 110.737 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.9 tp -126.14 120.72 30.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.068 0.947 . . . . 75.21 109.55 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.56 118.5 35.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.437 1.095 . . . . 73.14 109.452 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -102.16 117.34 34.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.949 0.34 . . . . 74.25 110.415 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 13.6 m-20 -147.6 146.38 29.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.535 1.134 . . . . 54.42 108.776 173.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -84.86 -17.04 39.22 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.922 -0.581 . . . . 73.53 109.624 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.96 85.99 6.84 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.733 0.813 . . . . 62.13 108.828 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.37 -26.65 68.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.484 0.713 . . . . 72.22 112.915 -173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.79 -55.01 26.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.783 0.833 . . . . 73.25 110.271 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.06 -41.33 70.86 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.689 -0.687 . . . . 71.24 109.95 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 27.0 tp -57.27 -41.07 79.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.725 1.21 . . . . 70.23 111.002 177.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.59 -49.35 75.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.623 0.577 . . . . 75.44 111.056 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -58.3 -54.84 42.46 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.108 0.88 . . . . 74.05 111.507 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -64.53 -33.9 76.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.865 0.466 . . . . 73.04 110.729 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.6 OUTLIER -63.49 -58.62 6.45 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.419 0.687 . . . . 63.42 111.165 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -65.98 -31.48 72.41 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.727 0.642 . . . . 73.45 112.394 -171.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.16 -40.61 96.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.158 0.583 . . . . 73.51 111.189 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.0 mt -82.48 -27.35 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.629 0.771 . . . . 55.53 110.847 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.97 -27.45 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.847 -0.615 . . . . 72.31 109.775 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -76.47 -16.09 59.75 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.658 0.783 . . . . 64.3 110.823 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -77.59 -6.32 53.33 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.984 0.513 . . . . 63.44 110.812 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 50.0 3.43 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.431 0.457 . . . . 62.12 112.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -131.35 144.55 51.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.43 0.692 . . . . 72.41 110.157 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.5 91.07 3.9 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.263 -1.014 . . . . 72.12 108.263 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG12 ' HG2' ' A' ' 94' ' ' LYS . 30.0 t -104.55 133.53 48.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 108.087 -1.079 . . . . 51.43 108.087 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 4.5 tpt180 -121.69 146.45 47.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 110.166 -0.309 . . . . 75.52 110.166 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 54.3 mtpt -96.04 138.38 33.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 74.12 108.146 173.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.2 137.83 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 123.416 0.447 . . . . 53.12 110.671 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 p -104.55 -52.91 2.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.996 0.918 . . . . 73.13 109.517 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.51 139.86 42.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.162 0.585 . . . . 62.11 110.474 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.46 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.8 m-20 -71.55 -36.57 71.0 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.571 0.748 . . . . 74.41 110.098 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.22 -34.93 79.54 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.215 -0.902 . . . . 74.31 110.708 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.9 tt0 -73.95 -33.38 63.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.691 1.196 . . . . 72.15 109.894 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.07 -49.6 77.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.769 0.428 . . . . 45.13 110.612 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.419 HD11 ' HE2' ' A' ' 17' ' ' LYS . 79.4 mt -56.69 -44.82 81.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.923 0.889 . . . . 74.43 111.524 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 19.4 ptmt -75.43 -29.33 59.69 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.083 -0.508 . . . . 75.33 111.633 -172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.2 mm -72.47 -32.0 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 117.772 0.26 . . . . 71.42 110.404 176.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.6 t -62.56 -39.5 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 109.72 -0.474 . . . . 65.34 109.72 172.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.3 -41.63 97.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.4 0.68 . . . . 53.03 110.382 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 35.7 mm-40 -63.67 -44.72 92.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.657 0.783 . . . . 72.14 111.236 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 11.8 m-30 -60.6 -46.47 90.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.164 0.986 . . . . 71.42 112.578 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.557 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.3 mtm -68.03 -31.19 70.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.488 0.715 . . . . 71.45 111.655 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.42 -47.45 67.22 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.591 0.557 . . . . 73.53 110.862 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -65.23 -42.38 93.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.344 0.658 . . . . 62.25 110.171 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.82 88.77 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.922 0.889 . . . . 33.22 110.905 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.58 -25.99 74.82 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.823 -1.08 . . . . 54.41 112.915 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.4 m -83.97 -27.27 28.58 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.578 0.751 . . . . 65.32 111.092 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.3 -49.96 30.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.093 0.557 . . . . 62.2 109.572 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.447 ' HG3' ' NZ ' ' A' ' 53' ' ' LYS . 10.9 mm-40 -67.81 -37.8 82.44 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.233 -0.894 . . . . 71.42 111.395 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -125.49 103.6 7.97 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.522 0.729 . . . . 61.14 109.229 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -71.69 -19.62 62.04 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.26 0.624 . . . . 73.34 111.376 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -111.24 179.0 4.16 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.16 0.984 . . . . 62.51 109.496 168.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -142.79 81.2 1.72 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.019 -0.734 . . . . 65.03 109.019 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.75 127.49 31.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.838 1.255 . . . . 71.14 111.935 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 124.131 0.972 . . . . 62.41 109.012 176.638 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.669 -0.123 . . . . 63.15 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.628 ' HZ2' ' HA ' ' A' ' 45' ' ' LEU . 18.9 ptpt -165.51 156.26 13.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.179 0.992 . . . . 72.14 108.83 169.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.6 mt -105.23 122.61 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 109.045 -0.724 . . . . 71.22 109.045 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' VAL . 69.1 mt -105.59 111.25 23.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.185 0.594 . . . . 45.14 109.437 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' A' ' 120' ' ' PHE . 21.9 mm -89.02 99.41 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 107.046 -1.465 . . . . 74.32 107.046 172.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.2 111.52 23.19 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 106.591 -1.633 . . . . 72.52 106.591 -174.532 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.61 124.35 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.045 0.538 . . . . 43.32 109.714 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.4 t30 -113.33 114.83 27.2 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.9 -1.148 . . . . 61.53 107.9 174.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -123.4 146.94 47.59 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.36 0.664 . . . . 73.01 110.632 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.19 -36.9 22.47 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.022 -0.535 . . . . 72.51 110.213 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.582 ' HB2' HD23 ' A' ' 14' ' ' LEU . 77.3 m-20 -98.44 131.85 44.37 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.06 -0.973 . . . . 72.23 111.228 -167.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.35 -29.81 70.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.476 1.111 . . . . 71.02 111.9 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.51 -49.47 64.73 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.784 0.834 . . . . 71.43 111.134 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -67.24 -30.11 69.93 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 116.141 -0.481 . . . . 75.13 111.798 -172.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 37.0 mt -57.06 -60.18 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-O 120.947 0.404 . . . . 73.24 110.004 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -69.67 -37.03 76.52 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.53 -0.759 . . . . 73.55 112.472 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.4 mtpt -74.29 -40.99 61.91 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.191 0.596 . . . . 75.14 112.202 -176.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG23 HG11 ' A' ' 117' ' ' VAL . 83.0 mt -61.54 -38.62 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 109.514 -0.55 . . . . 72.33 109.514 174.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG2' HG21 ' A' ' 29' ' ' VAL . 56.4 mtmt -59.32 -35.65 74.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.283 0.364 . . . . 63.11 111.652 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.96 -54.3 28.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.736 0.414 . . . . 63.33 110.43 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.7 mm-40 -46.68 -52.29 14.15 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.727 1.211 . . . . 74.02 112.715 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.646 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 m -87.21 -11.84 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.129 -0.941 . . . . 74.04 112.026 -170.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.0 -45.7 86.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.423 0.689 . . . . 55.14 110.311 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.45 -31.14 71.7 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.825 -1.08 . . . . 55.4 110.747 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -91.58 -1.86 57.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.889 0.875 . . . . 74.52 112.081 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.75 29.19 69.72 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.835 1.094 . . . . 70.43 115.835 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.646 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.4 m-85 -90.06 112.77 24.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 117.704 0.752 . . . . 74.41 109.231 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB2' HD13 ' A' ' 54' ' ' ILE . 54.7 mt-30 -70.93 104.32 2.92 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.827 0.851 . . . . 61.3 109.81 -175.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' HG2' ' A' ' 19' ' ' LYS . 48.7 t -79.35 134.44 27.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.934 0.397 . . . . 75.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -119.95 107.92 13.7 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.405 -1.702 . . . . 64.05 106.405 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.77 119.85 24.4 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.529 -0.545 . . . . 61.23 109.529 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.66 HG12 HD13 ' A' ' 63' ' ' LEU . 98.7 t -111.73 112.49 40.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 N-CA-C 108.16 -1.052 . . . . 71.35 108.16 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -105.55 -28.49 10.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.079 0.952 . . . . 75.3 110.562 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -139.5 162.22 35.6 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.561 0.744 . . . . 64.22 110.211 -168.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -48.81 -45.6 40.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.92 1.288 . . . . 60.21 112.736 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 1.5 m-20 -57.27 -49.29 76.52 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.142 0.577 . . . . 74.53 110.227 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 30.3 mm-40 -55.62 -43.01 75.74 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 124.256 0.973 . . . . 71.11 110.468 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 42' ' ' MET . 6.5 tt -54.97 -56.97 13.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.903 0.881 . . . . 72.11 109.959 173.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 56.6 mtpt -58.86 -33.55 70.58 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.948 -1.024 . . . . 64.01 111.282 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 75.7 mmtt -68.42 -52.42 33.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.464 0.705 . . . . 74.15 110.629 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.2 mm-40 -72.14 -31.82 66.33 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.096 -0.502 . . . . 73.53 111.837 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.1 mmm -70.59 -24.34 62.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.847 0.459 . . . . 74.12 111.197 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.0 mmtp -64.9 -44.63 88.94 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.971 -0.381 . . . . 73.43 109.971 171.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.88 -30.21 70.77 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.662 0.601 . . . . 74.21 111.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.628 ' HA ' ' HZ2' ' A' ' 2' ' ' LYS . 66.9 mt -70.62 -47.0 62.3 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.994 -0.373 . . . . 65.15 109.994 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.1 -31.76 66.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.846 0.859 . . . . 44.34 113.066 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.32 -41.3 11.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.241 1.016 . . . . 64.44 112.255 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.37 93.05 4.02 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.96 -0.756 . . . . 73.2 108.96 -167.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -106.56 84.24 1.98 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.386 0.674 . . . . 62.21 109.52 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -95.57 -177.75 4.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.225 -1.028 . . . . 75.51 108.225 167.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -81.82 65.72 7.08 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 122.38 1.086 . . . . 75.13 109.513 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.27 118.93 35.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.046 -1.434 . . . . 73.33 109.897 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -82.36 103.47 11.95 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.406 -1.331 . . . . 75.22 107.406 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 45' ' ' LEU . 40.9 mm -101.09 115.48 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.835 -0.802 . . . . 61.14 108.835 -175.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -94.13 121.33 35.51 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 107.349 -1.352 . . . . 74.41 107.349 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.743 HG21 ' SD ' ' A' ' 67' ' ' MET . 17.9 mm -100.24 133.35 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 108.236 -1.024 . . . . 61.31 108.236 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' ILE . 62.8 mt -105.83 123.99 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.465 -0.939 . . . . 74.13 108.465 169.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.5 t -122.08 124.31 43.62 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 107.869 -1.159 . . . . 74.21 107.869 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -5.99 54.89 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 120.996 0.427 . . . . 70.4 110.089 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' HD12 ' A' ' 63' ' ' LEU . 32.4 t70 -133.85 143.33 48.26 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.233 0.457 . . . . 64.03 112.233 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -69.59 -37.01 76.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.982 0.913 . . . . 73.34 112.48 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 7.4 tp60 -65.07 -41.22 95.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.382 -0.599 . . . . 75.41 109.382 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 32' ' ' VAL . 96.0 mt -56.97 -50.67 71.97 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.675 -0.693 . . . . 72.22 110.376 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 80' ' ' LEU . 9.8 tt -56.9 -44.09 81.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 116.013 -0.54 . . . . 64.31 111.462 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 9.0 mtpm? -58.07 -57.44 12.81 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.084 0.954 . . . . 53.32 111.8 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.3 mm-40 -60.57 -43.11 97.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.498 -0.774 . . . . 72.42 110.423 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.743 ' SD ' HG21 ' A' ' 56' ' ' ILE . 11.1 ttp -59.25 -47.74 84.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.626 -1.17 . . . . 60.12 111.52 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 71' ' ' ILE . 56.5 mt -66.1 -31.94 73.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.835 0.454 . . . . 75.31 111.635 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -41.54 96.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.324 0.65 . . . . 63.21 109.622 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 89.8 mt -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.706 -1.134 . . . . 63.21 111.093 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 68' ' ' LEU . 91.0 mt -64.75 -34.23 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.539 0.736 . . . . 63.04 110.403 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -61.21 -33.13 72.98 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.779 0.831 . . . . 65.12 110.301 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -75.84 -44.77 39.31 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.594 0.757 . . . . 72.31 110.872 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.1 mt -69.14 -33.36 73.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.443 0.697 . . . . 63.1 112.293 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 68.87 1.44 Allowed Glycine 0 C--N 1.347 1.159 0 O-C-N 123.371 0.419 . . . . 71.14 113.519 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -126.08 148.85 49.25 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.318 0.647 . . . . 71.22 111.119 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -80.36 113.18 18.35 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.966 -1.124 . . . . 53.51 107.966 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 4' ' ' LEU . 66.3 t -103.93 135.59 40.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.731 0.813 . . . . 74.32 110.727 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 89.9 m-85 -106.15 113.97 27.83 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.441 -1.689 . . . . 75.3 106.441 163.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD23 HG22 ' A' ' 104' ' ' VAL . 62.8 tp -100.54 127.16 46.99 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.763 0.425 . . . . 61.35 110.236 -176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 22.2 tp -107.83 115.41 30.08 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.409 1.084 . . . . 70.3 108.358 166.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.98 112.17 24.46 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 107.717 -1.216 . . . . 71.44 107.717 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.64 103.95 14.78 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.991 -1.115 . . . . 63.44 107.991 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.18 118.81 23.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.85 -1.537 . . . . 74.21 106.85 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -68.03 -22.71 64.95 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.192 0.932 . . . . 74.34 110.059 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -98.9 115.05 27.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.361 -1.348 . . . . 63.51 107.361 171.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -85.84 6.63 27.29 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.34 0.867 . . . . 72.33 113.34 -173.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.68 -33.67 25.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.238 -1.023 . . . . 72.12 108.238 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.67 -50.58 62.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.53 0.732 . . . . 74.0 109.887 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.603 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 39.7 tp -57.34 -54.42 46.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.442 1.089 . . . . 73.54 111.656 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.43 -54.21 43.57 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.071 0.548 . . . . 75.11 112.375 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -57.42 -40.74 78.98 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.933 0.771 . . . . 74.11 112.336 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -75.42 -37.13 60.61 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.756 0.422 . . . . 74.24 110.071 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -63.34 -53.6 50.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.662 1.185 . . . . 74.42 111.773 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -58.5 -32.6 68.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.305 0.642 . . . . 65.15 112.278 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.27 -51.76 58.68 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.438 0.637 . . . . 70.4 110.969 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.553 HG22 ' HB2' ' A' ' 102' ' ' TYR . 63.8 mt -77.77 -30.01 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 114.956 -1.02 . . . . 65.51 111.862 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.45 -21.89 55.31 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.514 0.725 . . . . 64.42 110.162 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -76.63 -20.4 56.75 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.285 0.634 . . . . 41.42 110.879 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -86.69 8.65 21.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.646 0.778 . . . . 73.42 111.036 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.36 18.16 72.05 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 114.052 0.381 . . . . 74.31 114.052 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.7 m-85 -94.59 131.74 40.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.078 0.551 . . . . 75.44 109.746 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -72.39 99.95 2.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.594 0.757 . . . . 70.13 109.524 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.587 HG22 HD23 ' A' ' 80' ' ' LEU . 19.3 t -99.02 125.49 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 109.899 -0.408 . . . . 74.12 109.899 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 148.49 28.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.979 -0.748 . . . . 75.13 108.979 174.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -96.38 147.57 23.68 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.787 0.835 . . . . 65.41 110.757 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -166.76 149.61 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.45 0.7 . . . . 63.1 110.59 163.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.3 p -120.08 -39.67 2.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.662 1.185 . . . . 74.5 109.482 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.56 148.41 35.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.67 0.788 . . . . 61.53 110.748 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.62 -46.63 21.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.892 0.877 . . . . 73.22 110.044 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.62 -41.5 96.15 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.413 -0.812 . . . . 72.11 109.962 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 116' ' ' ILE . 25.2 tt0 -68.63 -36.65 78.9 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 115.865 -0.607 . . . . 55.23 111.087 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.99 -44.79 71.12 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.851 0.46 . . . . 64.02 111.741 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' HE2' ' A' ' 17' ' ' LYS . 75.4 mt -60.16 -44.59 94.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 123.649 0.593 . . . . 53.42 111.401 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 21.0 pttp -77.26 -18.16 57.82 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.001 0.52 . . . . 74.32 111.478 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.4 mm -79.14 -32.44 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 122.64 0.376 . . . . 75.21 110.243 170.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.1 t -61.79 -39.81 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.877 0.471 . . . . 71.15 110.37 174.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.1 ptm180 -71.01 -22.15 62.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.083 -0.508 . . . . 74.11 111.21 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -64.58 -42.43 95.63 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.765 0.426 . . . . 75.02 110.006 171.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.585 ' HB3' HD12 ' A' ' 5' ' ' ILE . 27.2 m-85 -66.69 -42.57 86.25 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.71 -0.677 . . . . 75.13 111.086 175.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.9 mtm -65.29 -30.88 71.79 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.007 0.523 . . . . 62.42 111.741 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.52 -54.74 31.5 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.766 1.227 . . . . 75.32 111.0 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -74.58 -31.59 62.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.144 -0.934 . . . . 73.24 111.529 -172.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.27 64.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.799 0.839 . . . . 73.51 110.305 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.55 75.19 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 123.486 0.491 . . . . 74.13 112.146 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 m -80.5 -40.5 25.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.492 0.717 . . . . 74.33 110.143 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.66 -10.82 59.85 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.417 0.687 . . . . 72.44 111.103 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.46 -33.88 76.98 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.621 0.768 . . . . 75.03 110.055 169.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -69.45 -36.07 76.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.913 0.485 . . . . 71.33 110.312 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -76.02 95.93 3.7 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.157 0.583 . . . . 75.11 109.528 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -145.46 116.62 7.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.239 1.016 . . . . 75.22 108.389 173.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -74.32 140.17 44.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 72.54 111.387 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -69.12 141.14 54.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.763 0.825 . . . . 71.33 110.575 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 36.0 m80 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.664 0.786 . . . . 73.31 109.591 -173.257 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.049 0.452 . . . . 64.41 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -144.1 137.82 27.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.242 0.617 . . . . 73.24 110.27 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.683 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 44.2 mt -94.85 138.77 20.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.971 0.909 . . . . 64.42 108.869 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -110.3 116.35 31.32 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.688 0.795 . . . . 74.31 109.999 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 29.8 mm -89.02 106.66 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 107.659 -1.237 . . . . 54.42 107.659 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.677 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -94.25 126.78 39.71 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.822 -1.177 . . . . 61.3 107.822 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 55' ' ' LEU . 70.6 mt -129.55 126.33 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 108.705 -0.85 . . . . 61.53 108.705 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 64' ' ' LEU . 5.4 t30 -118.45 119.54 34.89 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.161 -1.052 . . . . 63.43 108.161 173.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 14' ' ' LEU . 8.0 t -124.95 142.77 51.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.306 -0.628 . . . . 60.53 109.306 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -88.71 -9.22 52.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.956 -0.565 . . . . 65.42 110.527 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -110.64 113.9 26.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.228 1.011 . . . . 61.11 109.588 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.34 -15.89 58.76 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.495 1.118 . . . . 54.41 112.933 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -56.83 -42.1 79.01 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.483 0.49 . . . . 73.42 110.411 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 9' ' ' THR . 3.9 mm? -64.4 -31.73 73.05 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.144 -0.48 . . . . 62.22 112.125 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' HE3' ' A' ' 19' ' ' LYS . 36.2 mt -62.44 -57.44 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.574 -0.528 . . . . 52.03 109.574 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -64.97 -36.51 84.62 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.331 -0.849 . . . . 62.4 111.705 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -68.52 -50.21 53.84 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.221 0.609 . . . . 72.14 111.928 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.89 -32.18 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.499 0.72 . . . . 72.54 110.777 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.636 ' HG2' HG11 ' A' ' 29' ' ' VAL . 97.3 mttt -58.47 -36.36 73.6 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.801 0.44 . . . . 61.21 111.582 174.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -75.6 -47.07 28.19 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.627 -0.508 . . . . 51.52 109.627 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.45 -53.6 35.39 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.279 1.031 . . . . 73.11 112.957 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 55' ' ' LEU . 11.6 m -88.29 -2.13 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 115.865 -0.607 . . . . 74.43 111.91 -172.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.97 -41.29 97.6 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.046 -0.724 . . . . 72.04 109.046 166.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -68.98 -13.02 62.21 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.762 -1.108 . . . . 74.03 111.562 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.27 -4.72 17.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.549 0.74 . . . . 75.11 111.363 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.62 30.19 75.98 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.956 0.742 . . . . 74.5 114.956 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -98.14 121.15 39.72 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.359 -0.978 . . . . 72.43 108.359 173.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.68 113.9 12.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.564 0.54 . . . . 72.25 110.294 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 19' ' ' LYS . 2.8 t -85.56 128.53 39.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.456 -0.793 . . . . 74.04 110.48 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -128.77 149.16 50.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.684 1.194 . . . . 64.24 108.339 168.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.09 132.07 27.78 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.883 0.873 . . . . 72.51 109.155 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.66 120.24 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.465 0.706 . . . . 74.33 109.628 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -100.29 -24.16 14.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.406 1.082 . . . . 74.23 111.22 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.23 142.47 50.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.94 0.496 . . . . 75.21 110.617 -168.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 m -65.62 -38.64 89.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.745 0.818 . . . . 73.13 112.384 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.04 -37.3 84.41 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.582 0.753 . . . . 44.22 110.516 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 35.5 mm-40 -71.47 -42.36 68.22 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.122 -0.944 . . . . 72.03 110.236 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.27 -56.28 13.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.592 1.157 . . . . 73.13 111.499 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.94 -37.55 79.87 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.133 0.896 . . . . 74.34 111.202 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.621 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 34.4 mtmm -71.78 -32.7 67.93 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.971 -0.558 . . . . 64.42 111.856 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . 30.3 mt-10 -85.02 -19.26 32.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.157 0.583 . . . . 44.4 111.62 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.451 ' HE2' HD12 ' A' ' 45' ' ' LEU . 9.6 mmt -68.32 -31.79 71.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.735 0.414 . . . . 62.44 109.994 167.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HE3' ' HA ' ' A' ' 40' ' ' LYS . 9.4 mtmp? -71.21 -45.52 63.15 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.741 -0.663 . . . . 72.13 109.228 172.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 4.1 mmmp? -52.49 -41.21 63.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.296 1.038 . . . . 62.5 112.769 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD12 ' HE2' ' A' ' 42' ' ' MET . 88.4 mt -62.96 -36.96 85.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.819 0.448 . . . . 60.14 111.586 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -84.85 -22.56 29.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.859 0.864 . . . . 55.14 112.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -89.05 -41.59 12.23 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.936 -0.764 . . . . 70.4 108.936 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -93.58 84.17 4.62 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.065 -1.457 . . . . 71.34 107.065 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.34 9.3 18.33 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.406 -1.27 . . . . 72.43 112.417 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.25 148.35 18.69 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.728 0.811 . . . . 74.33 110.968 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.8 -22.1 65.16 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.747 0.819 . . . . 74.21 113.061 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -50.42 127.66 18.04 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.394 1.078 . . . . 72.32 112.632 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 63.0 mmtt -83.34 134.94 34.88 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.592 0.757 . . . . 64.44 109.056 -178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -110.44 131.44 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.74 -0.467 . . . . 74.31 109.74 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD21 HD12 ' A' ' 7' ' ' ILE . 7.6 tt -102.06 122.63 44.46 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 107.482 -1.303 . . . . 70.2 107.482 174.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.677 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.3 mm -108.46 122.87 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.039 -0.726 . . . . 71.22 109.039 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.9 mt -105.31 144.78 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.654 0.781 . . . . 73.13 109.42 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.1 t -142.64 154.38 44.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.806 0.843 . . . . 63.23 108.868 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -94.94 -26.11 16.26 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.269 0.557 . . . . 74.31 110.116 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -108.37 125.54 51.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.978 -1.01 . . . . 71.01 109.615 -167.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 49.9 mtmt -72.95 -24.48 60.8 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.14 -0.937 . . . . 54.12 112.372 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.3 -39.05 65.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.837 0.455 . . . . 72.44 109.824 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -58.11 -47.08 84.36 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 116.005 -0.543 . . . . 71.32 109.598 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 80' ' ' LEU . 7.3 tt -54.99 -43.47 73.58 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.751 -1.113 . . . . 61.23 111.753 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.75 -58.57 7.26 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.683 0.614 . . . . 75.11 111.193 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.21 -40.06 84.62 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.949 0.781 . . . . 52.42 111.12 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.5 tpp -53.3 -57.35 10.85 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.209 1.404 . . . . 71.43 110.456 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 71' ' ' ILE . 82.1 mt -67.37 -34.38 77.17 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.359 0.663 . . . . 74.43 112.652 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.72 -38.27 86.36 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.6 0.563 . . . . 61.12 110.819 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -73.94 -33.82 64.07 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.737 -0.665 . . . . 75.33 111.08 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.57 HD12 HD23 ' A' ' 68' ' ' LEU . 94.8 mt -65.25 -32.21 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.255 0.622 . . . . 64.35 110.512 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -63.68 -33.12 74.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.413 0.685 . . . . 72.01 110.479 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -77.77 -32.29 52.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.729 -0.669 . . . . 60.25 110.6 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 46' ' ' ALA . 81.1 mt -69.27 -33.79 73.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.375 0.67 . . . . 74.35 110.682 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.96 57.75 3.16 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.786 0.679 . . . . 72.51 112.435 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.96 154.72 38.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.028 0.531 . . . . 73.43 110.24 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -80.77 126.89 31.87 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.264 0.626 . . . . 70.31 109.99 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -107.46 132.71 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.888 0.475 . . . . 62.43 110.293 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.415 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 74.6 m-85 -114.79 114.16 25.2 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 107.079 -1.452 . . . . 75.51 107.079 165.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 64' ' ' LEU . 40.8 tp -109.15 132.76 53.81 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.409 0.684 . . . . 75.02 111.753 -168.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 29.0 tp -118.86 117.33 28.57 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.43 1.092 . . . . 52.0 108.688 174.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.87 112.15 24.24 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.841 0.456 . . . . 74.42 110.01 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 53.1 tt0 -101.53 105.1 16.03 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.08 -1.082 . . . . 74.54 108.08 173.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB3' HD22 ' A' ' 90' ' ' LEU . 22.0 t70 -153.87 129.96 10.34 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.321 -0.992 . . . . 71.41 108.321 -176.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -84.75 -14.0 49.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.277 0.631 . . . . 71.33 111.967 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.98 69.91 6.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.583 -0.895 . . . . 74.41 108.583 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 42.5 mt-10 -57.14 -19.19 18.65 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.977 1.103 . . . . 75.32 113.977 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.43 -54.12 41.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 70.41 109.905 172.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.22 -41.33 77.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.363 -0.835 . . . . 74.23 110.17 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 49.8 tp -65.44 -31.03 71.9 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 124.525 1.13 . . . . 74.22 111.846 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -66.64 -48.45 69.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.535 -0.543 . . . . 73.2 109.535 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.42 -47.99 81.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.768 -1.105 . . . . 71.32 110.323 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 71.1 t80 -58.72 -42.89 89.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.497 -1.229 . . . . 75.43 110.784 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.9 -51.97 64.88 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.913 -1.04 . . . . 51.11 110.691 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -60.26 -31.57 70.34 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.845 0.716 . . . . 75.42 112.007 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -57.65 -50.34 73.5 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.436 0.636 . . . . 74.34 110.156 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.7 mt -80.19 -27.56 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 114.339 -1.3 . . . . 73.51 111.598 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -73.3 -32.7 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.051 0.94 . . . . 72.34 109.539 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -74.32 -14.53 60.9 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.506 0.722 . . . . 35.11 110.967 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -86.24 9.74 16.77 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.624 0.769 . . . . 73.21 111.399 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.31 21.77 78.47 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 122.862 0.268 . . . . 71.51 113.69 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -96.11 144.98 25.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.884 0.474 . . . . 64.52 110.701 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -76.46 100.3 5.19 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.447 -0.945 . . . . 74.31 108.447 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.71 114.74 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.166 -0.309 . . . . 75.32 110.166 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.2 tpm_? -101.34 143.89 30.83 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.456 0.702 . . . . 74.2 109.558 174.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -95.94 145.17 25.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 123.754 0.822 . . . . 71.12 108.893 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 13.1 p -153.88 147.68 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.089 -0.708 . . . . 74.35 109.089 173.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.7 p -119.8 -28.91 5.12 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.416 0.686 . . . . 75.2 110.411 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.06 144.35 25.34 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.673 0.789 . . . . 71.32 110.885 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.57 -44.67 33.67 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.122 1.369 . . . . 73.2 110.93 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.85 -37.14 78.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.269 -0.878 . . . . 64.42 109.808 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 8.5 tp10 -61.36 -47.94 83.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.833 -1.076 . . . . 74.22 110.358 175.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.64 -44.97 66.46 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.212 0.945 . . . . 60.4 112.172 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.13 -39.58 69.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.809 0.844 . . . . 71.23 111.854 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -77.15 -32.72 56.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.404 -0.816 . . . . 73.51 111.316 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.668 HG21 ' HG2' ' A' ' 105' ' ' ARG . 24.2 mm -69.56 -30.99 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.491 0.186 . . . . 75.45 110.511 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.2 t -57.03 -38.82 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 123.014 0.526 . . . . 65.41 109.946 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -59.41 -38.76 81.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.124 -0.944 . . . . 73.42 111.358 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.87 -55.1 38.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.981 0.801 . . . . 75.3 111.071 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 27.4 m-85 -55.3 -47.79 75.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.009 0.818 . . . . 70.44 112.894 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.02 -38.88 92.7 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.263 0.977 . . . . 71.23 111.737 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -70.38 -41.47 73.03 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.581 0.752 . . . . 62.21 111.464 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.58 -41.83 68.53 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.693 0.797 . . . . 64.21 109.72 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.67 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.79 0.836 . . . . 71.0 111.077 172.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.08 -35.89 92.34 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.041 -0.981 . . . . 14.33 112.131 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.1 m -70.65 -35.76 73.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.82 0.448 . . . . 72.32 110.712 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.3 -34.03 76.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.743 0.817 . . . . 61.43 111.246 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.584 ' HG3' ' HE3' ' A' ' 53' ' ' LYS . 39.2 mm-40 -82.26 -6.94 59.58 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.108 0.563 . . . . 51.11 111.852 176.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 57.41 42.75 24.24 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.211 1.005 . . . . 64.33 110.214 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 127.85 32.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 114.626 -1.17 . . . . 75.51 110.141 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -83.92 54.67 2.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.169 0.985 . . . . 73.54 112.093 -168.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -133.14 80.6 1.89 Allowed 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.47 -1.678 . . . . 52.41 106.47 164.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -148.44 137.57 21.81 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.222 -1.354 . . . . 75.1 108.797 -172.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.6 m170 . . . . . 0 C--O 1.25 1.115 0 N-CA-C 109.12 -0.696 . . . . 72.14 109.12 178.152 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' HB2' ' HE1' ' A' ' 76' ' ' TYR . 1.1 mpt? . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.704 0.287 . . . . 73.32 110.246 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -163.93 159.0 20.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.189 0.518 . . . . 64.23 111.358 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 77' ' ' LYS . 79.8 mt -107.83 133.63 52.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-N 114.893 -1.049 . . . . 62.52 108.833 177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.75 117.58 34.56 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.542 0.737 . . . . 74.15 109.541 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.18 103.46 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.667 -1.235 . . . . 74.33 107.667 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.42 126.69 36.59 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 106.781 -1.563 . . . . 62.05 106.781 -177.762 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.406 HD12 HD21 ' A' ' 55' ' ' LEU . 63.8 mt -131.32 125.31 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 121.218 0.532 . . . . 74.51 110.243 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.38 116.31 28.71 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.938 -1.504 . . . . 64.45 106.938 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.4 t -119.93 145.01 47.13 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.914 -0.773 . . . . 73.31 108.914 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.05 -28.19 54.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.633 0.773 . . . . 54.3 109.9 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -97.68 138.15 35.51 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.37 -0.832 . . . . 74.53 111.698 -170.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.59 -33.39 71.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.655 1.182 . . . . 74.33 110.956 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -39.56 81.38 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.504 -0.771 . . . . 75.41 110.728 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.4 mm? -67.75 -23.45 65.25 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.38 0.511 . . . . 62.53 112.38 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 57' ' ' ILE . 68.6 mt -57.24 -58.39 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 O-C-N 123.415 0.447 . . . . 73.23 109.862 171.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -71.84 -33.73 68.71 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.236 0.615 . . . . 53.03 112.425 -174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.83 -44.38 66.61 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.038 0.535 . . . . 64.52 111.2 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 22' ' ' VAL . 66.1 mt -61.55 -39.82 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 123.823 0.702 . . . . 73.44 109.499 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG2' HG21 ' A' ' 29' ' ' VAL . 96.8 mttt -56.49 -38.63 72.02 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 123.332 0.395 . . . . 72.35 111.645 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.8 mmpt? -68.72 -49.76 56.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.293 0.37 . . . . 72.24 111.207 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.3 mm-40 -50.39 -47.37 56.4 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.587 0.755 . . . . 75.32 112.001 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.568 HG12 ' SD ' ' A' ' 121' ' ' MET . 5.2 m -83.73 -21.25 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.268 0.627 . . . . 65.04 112.588 -173.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 36.9 tt0 -62.77 -39.17 93.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.786 0.835 . . . . 70.2 110.172 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -83.88 -1.58 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.165 -0.925 . . . . 54.05 111.74 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 32.2 mm-40 -110.17 -3.4 16.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.354 0.662 . . . . 64.1 111.754 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.24 32.81 55.19 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 114.28 0.472 . . . . 71.25 114.28 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 22.1 m-85 -109.63 109.32 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.678 0.791 . . . . 74.12 109.366 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -83.12 114.28 21.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.269 1.028 . . . . 74.34 110.936 -169.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HG2' ' A' ' 19' ' ' LYS . 44.5 t -81.96 141.4 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.23 0.612 . . . . 51.13 111.172 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB2' HD13 ' A' ' 56' ' ' ILE . 18.7 mmt85 -125.3 124.57 41.9 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.326 -1.361 . . . . 73.34 107.326 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -86.18 120.69 27.82 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 108.986 -0.746 . . . . 71.4 108.986 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.78 114.74 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.883 -1.154 . . . . 71.24 107.883 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -139.08 15.74 2.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.704 0.802 . . . . 64.33 110.262 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 21.6 t70 -145.05 150.52 37.01 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.166 -0.679 . . . . 61.04 109.166 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -55.36 -39.86 70.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.496 1.118 . . . . 71.15 112.975 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 29.6 m-20 -65.38 -39.42 92.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.108 0.563 . . . . 75.43 111.315 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 9.4 mm-40 -60.24 -41.51 93.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.347 0.659 . . . . 73.14 110.115 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.56 -51.52 69.07 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.925 -0.58 . . . . 72.13 110.902 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -64.18 -24.57 67.72 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.587 0.755 . . . . 62.0 112.109 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 31.8 mmmt -80.18 -55.93 4.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.182 0.593 . . . . 64.32 110.749 176.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.48 -36.3 76.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.174 0.589 . . . . 74.25 112.465 -169.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.1 mmm -68.65 -28.37 66.83 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.249 0.343 . . . . 73.23 111.519 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -74.73 -31.34 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.995 -0.526 . . . . 63.33 110.88 173.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -40.26 95.34 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.25 0.547 . . . . 73.4 110.21 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 HD21 ' A' ' 50' ' ' ASN . 64.9 mt -65.86 -45.29 82.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.467 -1.242 . . . . 73.43 109.807 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.23 72.33 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.953 0.901 . . . . 61.21 112.722 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.11 -10.23 59.4 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.063 0.945 . . . . 75.13 112.23 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 78.08 -41.74 0.33 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.303 1.441 . . . . 73.22 111.951 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.71 71.52 0.08 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.809 1.243 . . . . 72.42 113.677 -168.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.421 HD21 HD23 ' A' ' 45' ' ' LEU . 16.2 p-10 171.28 72.63 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.934 2.094 . . . . 61.23 106.735 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -58.19 -28.93 65.25 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.288 1.035 . . . . 74.11 111.55 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -42.72 140.36 1.34 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.846 1.658 . . . . 63.1 112.516 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD2' ' HG3' ' A' ' 128' ' ' GLU . 10.6 mmpt? -71.81 109.47 5.71 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.013 -1.106 . . . . 63.43 108.013 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.85 131.46 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-O 121.184 0.516 . . . . 65.15 109.784 -167.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 7' ' ' ILE . 8.5 tt -110.1 129.2 55.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.242 -1.392 . . . . 74.22 107.242 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.593 HG21 ' SD ' ' A' ' 67' ' ' MET . 22.1 mm -110.78 113.73 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.138 -0.69 . . . . 60.23 109.138 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -91.48 113.72 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.474 -0.936 . . . . 74.23 108.474 169.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -126.35 117.75 23.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.099 -1.075 . . . . 61.21 108.099 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -89.93 2.6 54.88 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.48 0.712 . . . . 75.23 110.531 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.05 120.49 42.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.089 -1.078 . . . . 74.03 108.089 172.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.91 -21.19 47.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.945 0.498 . . . . 72.35 112.163 -172.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 7.0 tp60 -68.74 -45.95 70.13 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.361 -0.607 . . . . 72.4 109.361 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.29 -42.97 87.76 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.037 0.836 . . . . 60.14 110.191 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 80' ' ' LEU . 6.2 tt -53.83 -47.88 70.47 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.96 0.788 . . . . 75.31 110.827 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -61.4 -50.28 73.49 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.769 0.828 . . . . 74.14 111.689 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 22.3 mm-40 -57.13 -47.05 82.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.625 0.726 . . . . 71.41 110.132 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.593 ' SD ' HG21 ' A' ' 56' ' ' ILE . 6.8 ttp -63.01 -40.84 98.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.447 -1.706 . . . . 75.42 111.876 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 73.7 mt -66.84 -37.68 84.94 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.62 0.368 . . . . 73.14 111.439 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.15 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.383 0.427 . . . . 73.33 110.745 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.23 -47.16 74.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.437 0.695 . . . . 74.01 110.963 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 67' ' ' MET . 74.1 mt -63.58 -34.29 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 123.69 0.796 . . . . 62.35 110.376 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -63.68 -41.86 98.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.671 0.788 . . . . 65.02 110.286 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.78 -25.64 56.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.296 0.638 . . . . 65.32 110.995 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.2 mt -79.28 -27.14 42.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.435 0.694 . . . . 71.41 110.872 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 39.89 26.87 Favored Glycine 0 C--N 1.347 1.167 0 C-N-CA 123.405 0.526 . . . . 62.21 114.344 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.497 ' HE1' ' HB2' ' A' ' 1' ' ' MET . 29.0 m-85 -99.08 151.16 21.26 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 117.155 0.478 . . . . 72.33 110.37 173.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HB2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -70.21 133.89 47.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.518 0.727 . . . . 75.22 110.113 174.392 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 71' ' ' ILE . 58.0 t -117.22 121.47 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.216 0.607 . . . . 73.14 110.076 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -112.43 114.79 27.68 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 106.155 -1.794 . . . . 71.14 106.155 167.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 104' ' ' VAL . 61.2 tp -115.32 126.81 54.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.907 0.883 . . . . 74.45 110.581 -168.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 29.5 tp -110.68 116.55 31.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.789 0.836 . . . . 42.21 109.3 175.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.61 113.05 26.09 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.965 -0.754 . . . . 74.14 108.965 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 48.8 tt0 -106.01 109.56 21.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.791 0.436 . . . . 74.31 109.892 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 11.7 t70 -149.19 127.77 12.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.881 -1.155 . . . . 74.42 107.881 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -81.67 -7.52 59.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.333 0.653 . . . . 63.1 112.173 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.79 101.12 11.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 106.646 -1.613 . . . . 73.32 106.646 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 44.2 mt-10 -70.68 -12.96 61.88 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.523 -0.762 . . . . 63.31 112.778 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.14 -45.32 27.2 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.128 -0.693 . . . . 64.11 109.128 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.89 -39.9 79.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.189 0.595 . . . . 73.31 110.227 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 38.8 tp -63.97 -45.19 90.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.518 -1.219 . . . . 75.01 110.812 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.06 -47.97 82.31 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.774 0.671 . . . . 75.4 111.574 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.13 -43.47 92.0 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.056 0.847 . . . . 72.02 111.798 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -76.04 -31.67 58.95 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.224 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -67.96 -50.21 57.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.909 0.884 . . . . 61.42 109.468 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.63 -23.44 60.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.507 0.504 . . . . 75.51 111.457 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.4 -48.0 83.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.222 1.009 . . . . 70.24 111.004 172.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -86.85 -17.0 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 114.934 -1.03 . . . . 64.44 110.959 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.29 -34.37 73.66 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.462 0.705 . . . . 73.12 110.373 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 t -68.15 -23.06 64.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.209 1.004 . . . . 71.11 111.937 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.72 -20.74 64.41 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.324 0.65 . . . . 62.13 111.648 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.45 53.03 3.19 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.883 -0.487 . . . . 64.2 111.883 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -124.45 163.08 22.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.56 0.744 . . . . 72.44 110.173 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.51 98.04 5.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.395 -1.335 . . . . 75.21 107.395 164.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 94' ' ' LYS . 15.3 t -114.38 118.39 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 74.4 108.113 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -112.09 149.68 31.78 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.75 0.42 . . . . 71.32 110.562 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.98 146.61 24.47 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.114 0.966 . . . . 61.44 108.747 171.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 p -159.71 140.95 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 123.557 0.743 . . . . 73.43 110.146 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.0 p -125.12 -30.17 3.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.048 0.939 . . . . 52.34 110.54 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -90.92 148.1 22.68 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.494 0.718 . . . . 64.05 110.469 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.51 ' HB2' HD21 ' A' ' 14' ' ' LEU . 3.0 p-10 -72.31 -43.4 64.23 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.298 0.639 . . . . 63.11 111.697 -172.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 34.3 mt-10 -73.91 -36.24 64.7 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.38 -0.6 . . . . 74.12 109.38 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.4 tt0 -57.33 -40.18 77.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.354 1.034 . . . . 75.12 110.395 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.94 -49.92 74.17 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 123.961 0.788 . . . . 65.43 110.748 175.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 58.0 mt -58.41 -44.78 89.18 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.274 0.984 . . . . 61.14 110.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 2.9 mmmp? -63.44 -42.7 98.66 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.919 0.888 . . . . 52.05 111.279 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.1 mm -71.74 -32.9 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 123.506 0.504 . . . . 63.03 111.296 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 113' ' ' ALA . 45.4 t -63.68 -38.61 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 109.465 -0.569 . . . . 61.42 109.465 172.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 19.0 mtp180 -76.99 -18.78 57.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.349 0.66 . . . . 51.5 111.428 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -66.6 -54.74 20.25 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 108.477 -0.935 . . . . 74.34 108.477 164.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 21.8 m-30 -53.89 -47.33 71.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.514 1.126 . . . . 70.54 112.292 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.568 ' SD ' HG12 ' A' ' 22' ' ' VAL . 72.6 mtm -71.85 -39.18 69.89 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.072 0.858 . . . . 75.45 111.934 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.1 -43.84 94.13 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.37 0.605 . . . . 70.21 110.232 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 94.0 mttt -73.02 -41.77 63.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.722 -1.126 . . . . 74.32 110.197 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.86 79.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.341 0.656 . . . . 62.31 110.672 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -72.36 -26.16 72.65 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.731 0.644 . . . . 72.12 111.808 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.9 t -81.76 -24.78 35.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.465 0.706 . . . . 73.51 110.129 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 87.4 mt -73.0 -44.03 61.48 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 109.225 -0.657 . . . . 75.05 109.225 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 73.5 mm-40 -65.69 -2.56 3.71 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.429 1.092 . . . . 75.15 113.921 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -58.69 165.1 2.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.553 0.741 . . . . 74.25 110.653 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -69.72 80.6 0.44 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.005 0.922 . . . . 75.33 110.887 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.2 m170 152.0 80.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 128.985 2.914 . . . . 75.34 107.806 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -153.07 174.9 13.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.849 0.46 . . . . 75.12 110.829 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -64.58 117.62 7.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.017 -1.105 . . . . 61.41 108.017 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 67.2 t60 . . . . . 0 N--CA 1.483 1.222 0 C-N-CA 124.644 1.177 . . . . 73.44 111.707 -170.394 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.837 -0.431 . . . . 63.0 109.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -154.58 130.82 10.37 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.25 -1.019 . . . . 55.04 108.25 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.434 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 39.6 mm -93.95 127.23 46.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 109.184 -0.673 . . . . 64.1 109.184 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.87 112.61 21.31 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.858 -0.793 . . . . 65.13 108.858 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 120' ' ' PHE . 24.9 mm -88.4 107.27 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 107.779 -1.193 . . . . 74.23 107.779 175.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.635 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.33 132.81 38.55 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 107.428 -1.323 . . . . 62.41 107.428 -179.39 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 81' ' ' LEU . 64.4 mt -134.97 134.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.325 0.65 . . . . 75.23 109.73 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.457 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 2.5 t-20 -109.96 110.25 21.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.72 -0.844 . . . . 72.2 108.72 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -128.57 133.78 48.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.978 -1.119 . . . . 73.33 107.978 163.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -83.58 -5.27 59.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.119 0.968 . . . . 71.33 110.269 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -109.18 127.28 54.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.242 1.017 . . . . 74.21 110.558 -174.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.57 -27.49 69.28 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.283 1.033 . . . . 63.51 112.349 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.56 -45.07 94.61 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.869 0.73 . . . . 62.43 109.841 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.5 mm? -72.73 -28.83 62.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.915 -0.564 . . . . 73.11 111.95 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.516 HD11 HD21 ' A' ' 59' ' ' ASN . 55.8 mt -59.31 -54.03 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.343 -0.614 . . . . 61.45 109.343 175.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 20.7 ptmt -72.56 -31.97 65.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.299 -0.864 . . . . 75.13 112.102 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -69.83 -42.83 73.09 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.877 0.471 . . . . 73.02 111.108 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.73 -34.86 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.708 0.63 . . . . 53.14 109.957 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.2 mttt -58.3 -40.1 81.09 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.245 0.341 . . . . 61.1 111.265 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 1.3 mmmp? -72.89 -44.91 60.74 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.821 0.449 . . . . 73.55 110.468 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -49.73 -53.46 24.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.356 1.062 . . . . 73.54 112.372 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 m -84.81 -15.4 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.49 -0.777 . . . . 73.33 111.638 -171.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.42 -40.58 74.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.549 1.14 . . . . 44.24 110.2 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -67.49 -35.36 79.0 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.099 -0.955 . . . . 60.25 110.732 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.18 -0.54 56.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.388 0.675 . . . . 75.01 112.0 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.1 52.22 43.27 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.162 0.825 . . . . 62.21 115.162 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.3 m-85 -113.95 119.33 36.87 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.762 -0.829 . . . . 64.2 108.762 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -80.61 105.81 12.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.337 0.655 . . . . 74.42 109.773 -175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.11 139.37 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.007 0.432 . . . . 62.11 110.866 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -125.27 145.54 49.96 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 106.141 -1.8 . . . . 74.23 106.141 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -125.73 140.04 53.03 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 118.17 0.441 . . . . 74.24 109.815 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.9 t -131.61 125.26 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.304 1.042 . . . . 72.15 110.15 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -130.08 10.11 5.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.438 1.095 . . . . 73.05 111.247 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.97 147.38 28.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.79 0.436 . . . . 74.0 109.959 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 p -59.47 -32.99 70.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.823 1.249 . . . . 75.31 113.028 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.53 -42.92 86.48 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.17 0.588 . . . . 61.03 110.193 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.38 -41.82 90.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 123.907 0.754 . . . . 55.33 110.072 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.13 -51.13 71.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.405 1.082 . . . . 72.31 111.958 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.45 -33.55 76.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.532 0.733 . . . . 73.12 111.011 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -66.96 -39.19 87.18 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 115.271 -0.877 . . . . 71.22 110.932 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -71.44 -27.73 63.48 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.23 0.331 . . . . 62.23 111.294 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 mmt -70.43 -28.3 64.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.469 0.308 . . . . 63.01 110.904 173.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.78 -51.66 46.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.229 -0.656 . . . . 63.22 109.229 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -48.49 77.36 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.281 1.033 . . . . 54.31 112.658 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.37 -39.3 86.71 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.677 0.791 . . . . 65.23 110.941 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.48 -33.36 69.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.687 0.795 . . . . 73.1 111.801 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.69 -48.1 49.7 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.868 0.867 . . . . 73.21 110.159 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -94.53 77.12 3.82 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.568 -1.197 . . . . 74.25 109.55 -167.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -74.0 -3.34 28.65 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.701 -1.136 . . . . 64.54 111.106 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -47.31 132.09 13.05 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.291 1.036 . . . . 60.23 110.54 172.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.54 7.28 0.86 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.774 0.83 . . . . 74.22 112.542 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.3 131.13 49.72 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 109.093 -0.706 . . . . 73.42 109.093 164.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 35.5 mmtm -87.31 128.46 35.18 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.709 -0.478 . . . . 55.01 109.709 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -108.85 132.39 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.901 -0.777 . . . . 74.41 108.901 -173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 22' ' ' VAL . 8.3 tt -105.22 129.72 53.53 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.399 -1.334 . . . . 54.3 107.399 176.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.635 ' HB ' HD22 ' A' ' 6' ' ' LEU . 25.7 mm -117.11 127.29 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.623 -0.881 . . . . 62.42 108.623 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 15' ' ' ILE . 66.0 mt -110.34 137.67 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.274 1.03 . . . . 71.31 108.283 173.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.5 t -136.89 122.31 19.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.995 -1.113 . . . . 62.23 107.995 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.516 HD21 HD11 ' A' ' 15' ' ' ILE . 1.9 m-20 -79.34 -9.78 59.67 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.12 0.568 . . . . 73.15 111.517 -178.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -113.91 130.21 56.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.855 -0.795 . . . . 61.33 108.855 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.21 -26.75 61.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.867 0.867 . . . . 72.05 112.669 -173.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -72.45 -41.89 65.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.908 -0.775 . . . . 74.31 108.908 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.93 -31.02 72.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.075 0.55 . . . . 71.51 110.462 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 80' ' ' LEU . 9.0 tt -65.19 -47.97 75.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.457 -0.338 . . . . 61.04 110.374 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.67 -50.35 74.21 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.174 0.59 . . . . 72.22 111.203 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.6 -47.27 76.77 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 123.955 0.784 . . . . 75.34 110.264 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 6' ' ' LEU . 44.6 tpp -52.06 -55.17 22.36 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.694 1.246 . . . . 62.12 110.512 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.23 -43.45 98.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.613 0.765 . . . . 54.51 112.328 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.79 -22.46 61.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.651 0.78 . . . . 73.22 111.005 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.31 -32.07 29.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.783 . . . . 62.11 111.541 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 67' ' ' MET . 91.2 mt -67.36 -27.99 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 109.371 -0.603 . . . . 52.41 109.371 173.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -60.83 -33.85 73.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.162 0.985 . . . . 74.14 110.981 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -73.84 -24.59 59.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.265 0.626 . . . . 74.4 111.036 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.06 -32.84 16.54 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.201 1.0 . . . . 75.4 111.572 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.48 1.64 Allowed Glycine 0 C--N 1.351 1.401 0 C-N-CA 123.231 0.443 . . . . 72.0 113.614 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -125.06 146.63 49.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.305 0.642 . . . . 73.02 110.357 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -79.93 108.72 13.73 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.934 -0.765 . . . . 62.15 108.934 173.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.6 137.54 24.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.123 -0.944 . . . . 72.32 110.534 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' HE1' HD12 ' A' ' 3' ' ' ILE . 77.4 m-85 -111.02 114.04 27.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.076 -1.453 . . . . 72.44 107.076 170.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 64' ' ' LEU . 38.5 tp -104.3 128.97 52.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.945 0.498 . . . . 74.24 110.867 -173.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB3' HG12 ' A' ' 7' ' ' ILE . 29.1 tp -115.99 112.62 22.08 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.469 1.107 . . . . 72.12 108.256 171.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -98.83 113.34 25.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.847 -0.797 . . . . 52.04 108.847 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.413 HE22 ' HG ' ' A' ' 14' ' ' LEU . 49.2 tt0 -102.57 116.9 33.53 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.504 -1.295 . . . . 74.24 107.504 171.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.483 ' O ' HD22 ' A' ' 90' ' ' LEU . 23.4 t70 -157.0 127.53 6.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.526 -0.916 . . . . 72.22 108.526 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -78.45 -16.21 57.81 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.936 0.717 . . . . 74.55 112.936 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -97.11 91.33 5.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.533 -1.284 . . . . 65.1 107.533 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.8 mt-10 -65.3 -15.01 62.07 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.076 1.139 . . . . 75.41 114.076 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.66 -50.02 59.93 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.015 -0.735 . . . . 65.2 109.015 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.18 -45.45 76.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.509 -0.769 . . . . 65.42 109.594 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 41.4 tp -57.43 -43.04 83.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.584 -1.189 . . . . 65.02 111.859 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.94 -51.5 54.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.194 0.598 . . . . 74.25 110.584 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -45.77 88.08 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.358 1.036 . . . . 64.32 111.151 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.75 -37.38 86.21 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.881 -0.599 . . . . 74.21 110.744 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -63.08 -56.03 20.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.338 1.055 . . . . 72.13 110.522 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.89 -25.7 65.63 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.96 0.787 . . . . 73.15 112.545 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.87 -48.25 66.64 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.239 0.615 . . . . 64.22 110.506 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.42 -29.07 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.726 0.81 . . . . 71.25 110.991 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.61 -40.87 98.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.471 -1.307 . . . . 73.23 107.471 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -70.91 -24.22 62.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.277 -0.874 . . . . 71.13 111.856 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -77.01 -3.52 39.45 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.036 0.535 . . . . 73.43 111.409 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.39 47.07 3.11 Favored Glycine 0 C--N 1.351 1.377 0 C-N-CA 122.654 0.169 . . . . 65.24 113.12 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -132.34 144.07 50.3 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.546 0.739 . . . . 75.33 109.936 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.95 97.49 6.06 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.51 -0.922 . . . . 73.11 108.51 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.71 139.15 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.241 0.616 . . . . 63.32 110.709 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.524 ' HG2' HG21 ' A' ' 116' ' ' ILE . 13.7 tpt180 -124.06 150.12 45.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.611 1.164 . . . . 75.33 108.693 175.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 56.4 mtpt -98.03 159.58 14.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.644 0.778 . . . . 75.15 109.62 172.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -165.14 148.4 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.989 0.916 . . . . 61.53 109.33 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -118.17 -36.73 3.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.961 0.904 . . . . 75.51 110.499 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.4 139.04 40.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.281 0.632 . . . . 43.04 109.7 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.0 p-10 -75.97 -33.37 59.77 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.505 0.503 . . . . 63.52 110.22 176.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.39 -42.55 96.07 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.895 0.747 . . . . 72.24 109.805 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' HG12 ' A' ' 116' ' ' ILE . 31.1 tt0 -80.2 -31.22 38.71 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.944 -1.026 . . . . 65.43 110.02 -175.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -51.33 -47.67 62.63 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 123.566 0.746 . . . . 73.21 110.458 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.516 HD11 ' HE2' ' A' ' 17' ' ' LYS . 56.4 mt -61.7 -39.63 92.14 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.627 1.204 . . . . 64.1 110.611 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.9 mmpt? -71.77 -25.65 62.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.594 0.758 . . . . 73.43 111.587 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 105' ' ' ARG . 26.9 mm -81.02 -30.22 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 N-CA-C 109.952 -0.388 . . . . 75.22 109.952 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 113' ' ' ALA . 39.6 t -61.88 -42.61 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.915 -0.402 . . . . 63.0 109.915 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 9.9 ptm180 -67.41 -25.44 65.94 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.389 0.431 . . . . 73.22 110.977 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 123.345 0.403 . . . . 55.54 109.975 173.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 5' ' ' ILE . 33.7 m-85 -59.57 -41.49 90.32 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.384 0.674 . . . . 73.13 112.114 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.8 mtm -67.48 -28.98 68.31 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.447 0.467 . . . . 71.22 111.409 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -78.14 -43.01 30.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.489 0.716 . . . . 71.14 111.477 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.86 -42.68 66.59 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.242 1.017 . . . . 75.12 111.008 -174.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.79 64.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.813 0.845 . . . . 74.22 111.081 171.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.52 -29.82 67.33 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.46 1.1 . . . . 12.33 113.241 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -71.41 -36.95 71.51 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.125 0.57 . . . . 71.35 110.328 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.73 -35.24 65.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.401 0.68 . . . . 73.11 110.697 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.03 -27.85 67.74 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.234 -0.894 . . . . 51.53 110.442 174.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 59.2 42.01 19.32 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.61 -1.255 . . . . 72.45 107.61 -165.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.29 81.71 0.36 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.32 -1.763 . . . . 74.32 108.974 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -78.7 82.95 4.89 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.936 0.874 . . . . 74.12 110.331 -175.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -150.41 97.83 2.58 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 105.49 -2.041 . . . . 64.31 105.49 174.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -55.31 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 124.59 1.181 . . . . 44.43 111.891 -172.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.256 1.433 0 C-N-CA 125.19 1.396 . . . . 72.42 108.026 -174.55 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 ttm . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.028 -0.36 . . . . 70.53 110.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 49' ' ' LYS . 2.8 ptmm? -165.61 121.91 1.38 Allowed 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.33 0.652 . . . . 55.42 109.4 175.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -99.73 136.02 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 109.005 -0.739 . . . . 71.23 109.005 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.6 mt -107.54 117.73 34.86 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.269 0.628 . . . . 60.14 109.885 -170.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 120' ' ' PHE . 27.5 mm -94.81 104.0 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.708 -1.219 . . . . 51.15 107.708 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -90.87 129.48 36.91 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.832 -1.544 . . . . 62.11 106.832 -178.548 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.56 132.57 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.157 0.583 . . . . 74.14 110.085 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' SER . 5.4 t30 -120.69 113.59 20.44 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.803 -1.184 . . . . 65.13 107.803 171.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 4.5 t -125.63 145.58 50.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.023 0.529 . . . . 73.3 110.377 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -73.53 -26.03 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.465 0.706 . . . . 74.41 110.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.81 131.01 55.45 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.088 -0.96 . . . . 61.2 112.121 -166.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.7 -21.8 66.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.006 -0.997 . . . . 73.02 110.718 170.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.42 -42.51 92.44 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.194 0.598 . . . . 75.34 110.062 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.1 mm? -74.49 -28.37 60.97 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 119.396 -0.335 . . . . 74.04 111.321 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.0 mt -58.56 -59.97 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.328 -0.619 . . . . 63.41 109.328 171.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -63.59 -37.56 87.79 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 123.611 0.569 . . . . 75.54 111.971 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.0 mtpt -70.68 -50.44 36.52 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 122.53 0.332 . . . . 61.15 111.875 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.12 -35.4 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 122.926 0.491 . . . . 63.23 110.69 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG2' HG21 ' A' ' 29' ' ' VAL . 60.8 mtpt -61.87 -37.31 84.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.717 0.407 . . . . 72.41 111.725 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.49 -49.46 59.52 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.431 0.457 . . . . 71.2 110.364 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 23.9 mm-40 -45.66 -54.24 8.07 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.562 1.164 . . . . 64.13 110.971 176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG12 ' SD ' ' A' ' 121' ' ' MET . 10.2 m -84.13 -20.51 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 115.415 -0.811 . . . . 72.03 112.553 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -68.33 -39.28 81.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.9 0.381 . . . . 72.43 109.997 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.75 -21.63 65.26 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.528 -0.76 . . . . 61.01 110.704 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.3 mm-40 -96.53 -7.29 34.96 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.738 0.815 . . . . 73.41 111.452 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.48 73.75 0.87 Allowed Glycine 0 C--N 1.35 1.315 0 C-N-CA 122.875 0.274 . . . . 33.15 113.551 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 55.2 m-85 -140.93 116.49 10.19 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.636 1.174 . . . . 74.3 108.604 174.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HB2' HD13 ' A' ' 54' ' ' ILE . 93.9 mt-30 -72.17 109.2 5.78 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.694 0.397 . . . . 72.1 110.434 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 19' ' ' LYS . 57.3 t -78.59 137.38 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.835 0.454 . . . . 74.2 110.067 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HB2' HD13 ' A' ' 56' ' ' ILE . 24.6 mmt85 -122.31 111.48 16.95 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.356 -1.35 . . . . 74.23 107.356 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.83 117.35 29.69 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.209 -0.663 . . . . 70.45 109.209 -174.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -120.48 116.72 51.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 124.85 1.26 . . . . 54.0 108.519 -174.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -118.5 -4.66 10.81 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.983 0.913 . . . . 74.44 110.549 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -139.66 145.04 37.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.631 0.772 . . . . 65.13 110.775 -170.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 59.3 p -57.5 -42.48 82.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.906 1.282 . . . . 62.13 112.805 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.9 -28.0 63.21 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.939 0.495 . . . . 73.34 111.204 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 10.9 mm-40 -80.0 -26.8 39.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.288 0.635 . . . . 74.35 111.352 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.66 -44.64 93.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.719 . . . . 72.32 109.47 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 35' ' ' SER . 30.6 mmmt -57.87 -28.64 64.34 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.933 -1.03 . . . . 74.14 111.422 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 40.9 mmtm -71.06 -60.6 2.14 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.208 0.603 . . . . 64.45 110.26 174.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -67.6 -28.54 67.84 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.701 1.001 . . . . 71.11 113.701 -164.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -36.0 82.35 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.782 0.433 . . . . 64.13 111.23 174.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.25 -38.4 75.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.877 0.471 . . . . 73.54 109.822 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -64.75 -36.47 84.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.133 0.573 . . . . 73.44 111.948 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -59.97 -29.85 68.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.102 0.561 . . . . 74.04 111.88 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.77 -36.0 22.02 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.414 0.686 . . . . 72.5 111.432 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.7 -50.36 21.23 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.538 0.685 . . . . 72.41 111.126 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.21 30.78 0.93 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.413 1.085 . . . . 64.31 110.614 -172.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 41.2 ttmt -67.02 94.33 0.33 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.901 0.88 . . . . 61.41 110.705 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -142.95 176.44 9.08 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.84 -1.17 . . . . 61.44 107.84 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -56.13 -16.53 5.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.354 1.061 . . . . 74.41 112.666 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.83 110.71 1.07 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.476 1.51 . . . . 55.11 111.93 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 146.11 31.0 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.365 -0.605 . . . . 64.21 109.365 175.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 28' ' ' GLN . 37.4 mm -119.01 140.8 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.261 0.624 . . . . 74.24 110.275 -175.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 9.9 tt -109.24 128.4 55.03 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.375 -1.343 . . . . 73.13 107.375 167.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.604 ' HB ' HD22 ' A' ' 6' ' ' LEU . 11.1 mm -109.25 126.96 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.243 -1.021 . . . . 73.11 108.243 176.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.1 mt -102.41 121.15 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.708 -0.849 . . . . 75.12 108.708 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 46.3 t -113.64 130.45 56.39 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.665 -1.605 . . . . 71.45 106.665 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.411 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -94.34 6.75 47.73 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.234 0.47 . . . . 55.15 111.353 -179.045 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.28 146.99 43.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.399 0.518 . . . . 71.1 112.399 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -68.8 -41.25 78.96 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.797 1.239 . . . . 72.21 111.81 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -67.08 -46.4 74.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.883 0.873 . . . . 31.31 109.252 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.77 -49.09 76.31 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.783 -1.099 . . . . 71.23 110.471 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 80' ' ' LEU . 8.7 tt -55.57 -41.91 73.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.988 0.915 . . . . 74.35 111.813 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.34 -53.4 49.32 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.511 0.507 . . . . 75.45 110.895 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -47.74 69.36 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.169 0.918 . . . . 71.43 110.385 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 6' ' ' LEU . 47.4 ttm -53.04 -51.98 59.98 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.212 1.805 . . . . 73.43 112.075 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD11 HD22 ' A' ' 80' ' ' LEU . 85.1 mt -64.79 -38.68 91.81 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.713 0.633 . . . . 72.51 111.962 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -70.38 -28.21 64.92 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.888 0.475 . . . . 72.02 111.14 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.65 -40.12 56.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.097 0.959 . . . . 53.45 110.673 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.79 -27.18 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.838 0.855 . . . . 74.3 110.666 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -64.13 -32.97 74.73 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.638 0.775 . . . . 55.11 110.1 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -73.62 -37.66 65.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.406 -0.816 . . . . 73.23 110.199 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.98 -29.07 68.01 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.508 0.723 . . . . 75.0 110.854 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.04 70.59 1.11 Allowed Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.977 -0.556 . . . . 24.13 113.753 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.16 158.23 36.09 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.48 0.712 . . . . 72.32 110.463 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.88 118.09 18.29 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.866 -0.79 . . . . 71.34 108.866 168.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 50.6 t -115.79 122.72 70.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.494 -0.776 . . . . 70.24 109.684 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -101.23 114.43 28.39 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.658 -1.608 . . . . 71.0 106.658 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 64' ' ' LEU . 48.4 tp -101.52 132.91 46.9 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.07 0.548 . . . . 73.03 110.508 -175.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 46.8 tp -118.09 113.84 22.2 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.156 0.982 . . . . 70.21 108.633 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.34 113.35 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.662 0.785 . . . . 75.35 109.625 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 53.4 tt0 -103.67 118.25 36.27 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.808 -0.812 . . . . 73.42 108.808 172.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -156.05 138.03 14.49 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.108 -0.701 . . . . 74.23 109.108 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -79.09 -22.7 44.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.258 0.623 . . . . 73.44 112.012 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -92.79 90.85 7.2 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.938 -1.134 . . . . 64.4 107.938 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.7 mt-10 -73.79 -16.79 61.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.876 1.065 . . . . 70.13 113.876 -165.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.04 -41.85 63.75 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.945 -0.761 . . . . 71.04 108.945 174.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.08 -36.5 64.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.207 -0.906 . . . . 74.31 109.994 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 34.3 tp -62.18 -44.36 96.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.436 1.094 . . . . 72.05 110.794 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.6 -45.98 77.4 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.418 0.687 . . . . 64.34 110.761 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -56.03 -52.57 63.77 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 123.762 0.664 . . . . 70.44 111.849 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.24 -38.95 91.2 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.597 0.759 . . . . 72.23 110.766 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.74 -52.57 62.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.193 0.997 . . . . 75.15 111.008 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -69.12 -25.92 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.653 0.612 . . . . 72.41 112.653 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -46.25 90.95 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.025 0.441 . . . . 74.02 110.017 171.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -81.32 -29.28 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.29 1.036 . . . . 52.31 111.598 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.01 -41.57 99.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.789 0.835 . . . . 54.14 109.554 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -70.3 -27.64 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.874 -1.057 . . . . 73.0 111.014 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.51 -17.85 64.82 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.112 0.565 . . . . 52.22 111.521 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.3 42.45 1.75 Allowed Glycine 0 C--N 1.349 1.286 0 C-N-CA 122.878 0.275 . . . . 64.32 112.505 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -119.29 138.26 53.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.444 0.698 . . . . 72.22 109.881 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -82.18 92.94 6.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.307 -0.998 . . . . 71.43 108.307 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.01 123.76 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.994 0.518 . . . . 63.42 110.939 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -106.37 152.63 23.33 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.765 0.826 . . . . 63.35 109.294 167.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 90' ' ' LEU . 38.3 mtmt -102.67 167.76 9.69 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.615 1.166 . . . . 74.35 109.361 174.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.68 153.35 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.651 0.781 . . . . 65.43 110.574 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.2 p -123.86 -29.5 3.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.232 1.013 . . . . 70.33 110.635 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.96 145.33 26.07 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.503 0.721 . . . . 74.12 111.76 -171.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . 3.6 t70 -61.66 -51.9 66.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.101 1.36 . . . . 74.42 112.468 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.23 -37.89 72.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.979 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.69 -33.4 75.8 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.379 0.425 . . . . 70.11 110.788 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.88 -47.14 83.61 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.459 0.474 . . . . 63.23 110.996 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 17' ' ' LYS . 52.0 mt -59.17 -39.58 82.94 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 124.054 0.846 . . . . 72.4 110.701 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 64.3 mttm -66.38 -44.97 81.65 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 114.745 -1.116 . . . . 71.34 110.696 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 42.7 mm -66.98 -33.6 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 121.995 0.118 . . . . 74.12 110.908 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 113' ' ' ALA . 90.2 t -66.92 -44.35 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.807 0.443 . . . . 75.14 110.626 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -69.55 -25.95 64.26 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.441 -0.207 . . . . 73.34 110.441 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 32.0 mm-40 -65.58 -53.78 37.07 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.699 -0.482 . . . . 74.43 109.699 169.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 5' ' ' ILE . 10.3 m-30 -56.03 -40.03 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.37 1.068 . . . . 75.41 113.128 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.632 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.1 mtm -70.48 -33.25 71.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.108 0.563 . . . . 61.42 112.006 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.55 -39.01 65.04 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.393 0.677 . . . . 74.53 110.704 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 62.6 mttm -68.34 -41.43 80.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.637 0.775 . . . . 75.34 109.77 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.21 -45.14 84.07 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.03 -0.986 . . . . 74.41 110.257 171.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.42 -30.67 78.5 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.021 -0.991 . . . . 61.34 113.13 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 m -71.54 -38.79 70.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.25 0.62 . . . . 73.31 110.153 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 131' ' ' HIS . 86.1 mt -65.5 -42.45 92.09 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.025 -0.731 . . . . 74.54 109.025 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.58 -28.11 69.41 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.952 -1.022 . . . . 72.13 111.652 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -76.81 28.01 0.13 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.772 0.829 . . . . 71.5 112.09 173.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 73.38 41.93 0.44 Allowed 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.372 1.469 . . . . 75.21 111.393 167.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 127' ' ' LEU . 31.8 t60 -72.69 110.18 6.85 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.381 -1.34 . . . . 63.3 107.381 163.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -63.58 133.26 53.44 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.498 0.499 . . . . 75.21 110.651 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -83.96 89.11 7.18 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.458 -0.571 . . . . 71.14 109.458 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.256 1.422 0 N-CA-C 108.35 -0.982 . . . . 75.4 108.35 177.317 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.016 -0.735 . . . . 75.41 109.016 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -153.78 145.5 23.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.954 0.502 . . . . 72.13 110.743 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.2 mt -93.53 128.68 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.417 -0.957 . . . . 71.14 108.417 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 43.3 mt -111.41 135.24 52.25 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.855 -0.795 . . . . 54.01 108.855 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.54 103.36 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 107.319 -1.363 . . . . 62.54 107.319 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -88.49 115.15 25.8 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.005 -1.48 . . . . 61.24 107.005 -178.72 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.492 HD12 HD21 ' A' ' 55' ' ' LEU . 68.7 mt -116.89 132.31 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.924 -0.769 . . . . 54.34 108.924 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.0 t-20 -127.4 114.03 17.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.102 -1.073 . . . . 71.14 108.102 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -125.41 141.1 52.25 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.139 -1.06 . . . . 42.35 108.139 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -84.74 -15.62 44.47 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.753 0.787 . . . . 64.54 109.17 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.9 115.82 25.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 114.51 -1.223 . . . . 54.13 109.737 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.67 -40.72 93.13 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.65 0.78 . . . . 71.31 111.494 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.91 -29.91 70.41 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.912 -0.585 . . . . 74.24 110.978 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.4 mm? -72.6 -26.11 61.57 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.202 -0.427 . . . . 74.43 111.802 175.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG23 HG21 ' A' ' 57' ' ' ILE . 59.3 mt -63.16 -56.71 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 N-CA-C 109.206 -0.665 . . . . 74.5 109.206 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 22.8 ptmt -62.36 -30.58 71.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.267 0.469 . . . . 72.21 112.267 -175.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 27.4 mtpp -68.06 -58.92 3.71 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.073 0.549 . . . . 75.44 111.126 173.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 7' ' ' ILE . 82.3 mt -59.1 -35.07 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.772 0.829 . . . . 74.0 111.565 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.0 mtmt -56.93 -43.46 81.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.84 0.456 . . . . 64.41 110.714 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.16 -51.55 37.11 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 122.689 0.396 . . . . 72.43 110.586 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 15.0 mm-40 -48.66 -54.9 12.92 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 124.56 1.162 . . . . 74.05 112.186 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 m -84.43 -25.95 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.193 -0.912 . . . . 74.44 112.229 -166.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.3 tm-20 -65.03 -36.35 84.11 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.554 -0.906 . . . . 44.31 108.554 174.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -70.3 -27.71 64.61 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.228 -0.896 . . . . 53.44 111.289 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 11.7 mm100 -85.4 -0.15 53.95 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.02 0.528 . . . . 75.03 112.033 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.69 2.31 72.71 Favored Glycine 0 C--N 1.354 1.579 0 N-CA-C 114.701 0.64 . . . . 32.51 114.701 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -91.71 126.48 36.81 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.586 0.693 . . . . 72.33 109.685 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -76.11 112.26 12.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.486 0.714 . . . . 72.24 111.185 -170.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.25 119.62 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.091 0.87 . . . . 63.51 111.22 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -120.17 146.04 46.38 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.501 1.12 . . . . 64.14 108.468 170.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.19 118.77 22.94 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.474 -0.935 . . . . 74.12 108.474 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.92 115.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.714 -0.847 . . . . 53.41 108.714 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -127.19 13.0 7.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.692 0.797 . . . . 63.32 111.014 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.75 144.69 27.22 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.501 0.72 . . . . 73.4 110.837 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -41.79 98.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.286 1.034 . . . . 62.24 113.093 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -33.23 74.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.421 0.288 . . . . 74.15 111.259 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -63.56 -45.51 90.17 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.32 -0.622 . . . . 51.21 109.32 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 42' ' ' MET . 7.0 tt -56.9 -59.88 4.4 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.316 1.046 . . . . 63.25 110.947 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 52.4 mtmt -56.25 -39.04 71.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.131 0.972 . . . . 72.31 111.819 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -63.37 -51.79 64.41 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.703 0.627 . . . . 74.03 111.382 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.2 pt-20 -79.69 -17.94 52.45 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 119.459 -0.305 . . . . 73.03 111.692 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.48 -42.82 82.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.925 0.49 . . . . 54.53 109.935 170.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.7 mmtp -61.54 -43.94 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.435 -0.802 . . . . 71.13 110.103 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -59.62 -40.09 86.41 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.282 0.989 . . . . 72.33 112.229 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 90.9 mt -50.7 -44.0 57.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.609 0.568 . . . . 75.3 111.029 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -79.47 -20.43 47.37 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.905 -1.043 . . . . 52.03 112.625 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 43.7 mt-10 -87.39 -54.42 4.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 72.12 110.712 -177.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.42 90.7 4.62 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.841 1.305 . . . . 73.3 107.504 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -82.34 28.39 0.46 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.799 -1.546 . . . . 73.35 112.209 -172.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -66.14 163.46 17.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.769 0.795 . . . . 72.23 111.247 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.27 30.31 1.49 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.999 0.919 . . . . 72.25 110.451 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -89.43 124.39 34.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.588 0.755 . . . . 70.14 110.589 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 9.2 mptt -82.43 115.67 21.55 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.309 0.643 . . . . 71.43 109.884 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.88 113.97 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.396 -0.82 . . . . 71.42 109.084 -172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 7' ' ' ILE . 7.7 tt -91.49 123.5 34.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.727 -0.842 . . . . 73.12 108.727 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 30.2 mm -100.73 140.46 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 108.633 -0.877 . . . . 75.3 108.633 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 15' ' ' ILE . 67.8 mt -120.56 122.34 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.64 -1.244 . . . . 74.13 107.64 167.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -131.83 137.94 48.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.885 -1.154 . . . . 72.53 107.885 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.19 -26.11 21.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.966 0.906 . . . . 63.02 109.365 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -95.15 133.89 38.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.322 -0.854 . . . . 63.34 110.457 -168.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.18 -37.77 66.41 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.363 -0.835 . . . . 75.23 111.497 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.3 -45.78 83.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.711 0.804 . . . . 64.45 110.467 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.3 -46.66 89.39 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.824 0.702 . . . . 70.33 110.499 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 80' ' ' LEU . 8.5 tt -52.39 -47.18 66.37 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.798 0.686 . . . . 62.21 111.389 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -59.66 -53.74 54.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.818 0.847 . . . . 64.42 111.771 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.36 -42.07 94.98 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.855 0.722 . . . . 72.44 110.915 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 6' ' ' LEU . 40.0 ttm -56.97 -55.52 33.59 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 124.732 1.27 . . . . 72.21 111.103 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.26 -37.38 87.27 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.928 0.768 . . . . 74.32 112.379 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 51.1 mt-10 -70.91 -34.4 71.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.063 0.145 . . . . 73.1 110.983 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.99 -41.78 81.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.119 0.568 . . . . 70.25 110.745 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 78' ' ' VAL . 97.7 mt -66.67 -30.14 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 123.723 0.809 . . . . 73.04 110.365 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 t -65.84 -37.84 87.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.485 0.714 . . . . 74.4 110.542 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 25.7 mmmt -77.6 -12.76 60.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.135 -0.484 . . . . 52.22 110.83 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 46' ' ' ALA . 90.1 mt -92.42 -36.02 13.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.831 0.852 . . . . 62.12 110.697 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.53 82.01 0.84 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.803 -0.635 . . . . 74.33 113.601 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HD2' HG23 ' A' ' 71' ' ' ILE . 58.8 m-85 -133.4 153.12 51.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.609 0.763 . . . . 73.12 110.365 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.02 104.87 10.88 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.072 -0.714 . . . . 75.41 109.072 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 4' ' ' LEU . 22.1 t -114.11 131.09 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 122.706 0.402 . . . . 63.14 110.759 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -101.47 115.73 31.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.21 -1.034 . . . . 74.2 108.21 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 64' ' ' LEU . 46.4 tp -98.67 134.46 41.56 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.084 0.469 . . . . 60.32 110.896 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 27.9 tp -122.11 125.86 47.12 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.883 0.873 . . . . 73.32 108.65 171.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.11 116.34 31.36 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.55 -0.908 . . . . 74.32 108.55 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.71 104.17 15.45 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 72.14 108.012 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 9.7 m-20 -137.0 117.87 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.621 -1.622 . . . . 62.33 106.621 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -70.27 -19.33 63.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.188 0.595 . . . . 73.41 110.454 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -94.55 113.73 25.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.339 -0.985 . . . . 72.12 108.339 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 33.5 mt-10 -75.93 -7.32 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.217 0.451 . . . . 73.34 112.217 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -68.88 -48.98 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.975 -0.75 . . . . 55.32 108.975 168.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.92 -37.14 62.13 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.653 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.62 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 16.1 tp -63.69 -54.36 36.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.708 1.203 . . . . 74.23 110.788 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.78 -50.52 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.668 0.605 . . . . 75.31 112.337 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 22.5 mm-40 -53.94 -52.79 59.5 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.627 0.579 . . . . 62.14 111.815 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 96' ' ' LYS . 30.9 t80 -71.38 -29.01 64.44 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.266 0.626 . . . . 75.42 111.121 -175.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HG3' HG12 ' A' ' 104' ' ' VAL . 26.0 ttpt -64.45 -58.86 5.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.398 0.679 . . . . 64.41 110.854 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -64.34 -23.35 67.26 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.93 -1.032 . . . . 55.22 112.943 -170.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.5 mttm -59.46 -54.39 47.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.748 0.785 . . . . 65.13 110.702 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mt -86.12 -16.68 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.414 1.086 . . . . 71.4 110.972 -171.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.88 -38.19 75.34 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.453 1.101 . . . . 73.42 110.134 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -72.44 -26.05 61.69 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.028 -0.987 . . . . 54.14 111.27 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -76.08 8.11 3.53 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.052 0.76 . . . . 72.21 113.052 -176.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.68 -6.84 82.82 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 113.883 0.313 . . . . 71.14 113.883 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.47 134.5 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.512 0.725 . . . . 74.42 109.895 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.74 95.31 1.11 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.078 -0.712 . . . . 70.24 109.078 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 94' ' ' LYS . 20.2 t -99.27 110.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 108.948 -0.76 . . . . 70.12 108.948 -176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -108.36 154.26 22.1 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.048 0.452 . . . . 73.52 110.373 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -95.12 157.29 15.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.48 1.112 . . . . 75.43 110.939 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.3 p -168.16 139.65 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 124.338 1.024 . . . . 75.33 109.605 161.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 p -107.98 -33.01 7.33 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.729 0.811 . . . . 72.05 110.218 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.61 146.21 28.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.56 0.744 . . . . 75.12 111.998 -174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.52 ' HB3' HD21 ' A' ' 14' ' ' LEU . 19.0 m-20 -72.02 -51.56 21.2 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.476 -1.238 . . . . 74.14 111.137 -176.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.2 -34.86 75.54 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.02 -0.991 . . . . 75.22 110.494 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 34.9 tt0 -73.46 -31.63 63.89 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.973 -0.537 . . . . 70.32 110.866 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.18 -43.15 52.26 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.297 0.373 . . . . 54.4 111.125 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.72 -42.34 98.82 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.267 1.027 . . . . 73.41 111.025 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.2 -31.41 71.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.252 1.021 . . . . 62.55 111.228 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 23.1 mm -78.12 -36.81 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.755 -0.461 . . . . 73.2 109.755 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 113' ' ' ALA . 82.0 t -57.68 -41.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 122.995 0.518 . . . . 72.4 109.738 172.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -58.18 -39.7 79.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.196 -0.911 . . . . 61.43 111.49 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 76.9 mm-40 -62.59 -47.01 85.67 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.557 0.535 . . . . 74.24 110.703 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.469 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.3 m-85 -61.37 -42.66 99.07 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.33 0.652 . . . . 73.12 112.697 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.3 mtm -70.02 -27.83 64.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.383 0.673 . . . . 74.33 111.254 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -74.88 -36.57 62.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 64.33 110.962 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 93.9 mttt -71.99 -41.04 68.1 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.339 0.656 . . . . 61.05 109.566 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.76 88.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.64 0.776 . . . . 75.34 109.924 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.5 -27.24 73.91 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 124.172 0.92 . . . . 34.42 112.695 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.4 m -74.83 -38.59 61.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.117 0.567 . . . . 61.02 109.694 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.74 -11.46 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.608 0.763 . . . . 64.22 110.26 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.35 -41.98 19.3 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.277 0.631 . . . . 74.23 110.891 170.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -89.37 58.16 4.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.023 -0.535 . . . . 70.35 110.877 -171.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -60.81 -44.34 97.0 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.681 0.753 . . . . 61.34 109.595 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 134' ' ' HIS . 57.6 m80 -91.57 57.08 3.19 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.558 -1.201 . . . . 73.45 109.642 176.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -62.57 116.53 5.22 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.773 -1.103 . . . . 71.12 108.632 168.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 67.51 86.87 0.13 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.441 1.096 . . . . 71.54 109.392 -163.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 131' ' ' HIS . 27.6 p80 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 123.851 0.86 . . . . 62.24 109.766 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.315 -0.624 . . . . 65.33 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -113.8 117.13 30.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.189 0.595 . . . . 74.11 109.447 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.4 mt -103.51 121.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.949 -1.13 . . . . 72.4 107.949 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 63.8 mt -106.41 107.54 18.6 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.209 -0.663 . . . . 75.45 109.209 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 120' ' ' PHE . 29.4 mm -83.93 103.28 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.424 -1.325 . . . . 55.55 107.424 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.01 134.2 35.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.663 -1.606 . . . . 73.1 106.663 -176.398 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.483 HD12 HD21 ' A' ' 55' ' ' LEU . 68.4 mt -135.7 125.42 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 109.566 -0.531 . . . . 73.51 109.566 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.3 t-20 -108.04 111.84 24.1 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.407 -0.96 . . . . 72.32 108.407 169.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 t -127.51 138.11 52.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.985 -1.117 . . . . 75.15 107.985 166.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -88.07 -9.69 52.51 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.122 0.487 . . . . 71.21 109.739 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.6 112.37 22.23 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.169 0.988 . . . . 74.34 109.576 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.1 m-20 -56.69 -34.6 67.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.284 1.034 . . . . 74.14 111.577 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.61 -47.89 81.8 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.803 -0.635 . . . . 63.43 110.305 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.46 -29.34 69.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.236 -0.411 . . . . 74.33 111.353 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 57' ' ' ILE . 73.1 mt -60.78 -59.6 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.978 -0.379 . . . . 62.44 109.978 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -64.1 -34.84 78.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.414 0.686 . . . . 71.14 112.158 -175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.5 mtpp -69.13 -51.55 37.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.474 0.71 . . . . 73.11 110.837 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.93 -39.17 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 O-C-N 123.969 0.793 . . . . 61.22 110.522 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG11 ' A' ' 29' ' ' VAL . 92.9 mttt -51.26 -44.63 61.81 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.608 0.567 . . . . 74.43 111.331 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.4 mmmm -81.49 -46.3 14.73 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.798 -0.637 . . . . 74.11 111.742 -173.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 17.0 mm-40 -52.14 -49.95 62.72 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.599 0.76 . . . . 65.15 112.151 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 55' ' ' LEU . 5.5 m -82.47 -21.09 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.964 0.727 . . . . 73.14 112.964 -167.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -75.09 -16.27 60.57 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 122.852 0.095 . . . . 72.32 111.105 178.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.37 -32.4 73.82 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.569 0.543 . . . . 62.25 110.484 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -91.64 3.92 53.92 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.802 0.841 . . . . 70.03 111.877 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.36 39.52 56.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.173 0.429 . . . . 73.24 114.173 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.55 113.63 26.8 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.745 0.818 . . . . 71.13 109.076 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.6 109.5 4.34 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 124.05 0.844 . . . . 71.21 109.372 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 ' HG2' ' A' ' 19' ' ' LYS . 5.2 t -82.82 121.23 35.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.491 -0.777 . . . . 73.43 109.712 -174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.6 mmp_? -126.85 114.52 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.641 1.176 . . . . 73.22 107.901 176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -105.47 138.13 42.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.399 -0.593 . . . . 74.53 109.399 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 63' ' ' LEU . 87.8 t -119.93 116.42 50.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.901 -1.148 . . . . 73.13 107.901 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -101.66 -19.94 15.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.81 0.844 . . . . 74.32 110.0 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -147.67 154.74 40.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.905 0.482 . . . . 74.24 111.036 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 28.3 m -54.47 -33.58 59.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.115 1.366 . . . . 71.14 113.186 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 17.5 t70 -57.35 -47.36 81.81 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.425 0.69 . . . . 71.5 110.239 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.39 -41.82 88.78 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 114.485 -1.234 . . . . 71.43 110.615 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.05 -47.24 68.58 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.068 0.855 . . . . 50.33 111.204 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 35' ' ' SER . 29.1 mtpp -62.81 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.959 0.787 . . . . 72.02 110.513 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 46.2 mmtm -61.5 -47.68 84.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.63 0.772 . . . . 75.41 110.84 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -64.63 -41.07 96.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.099 0.96 . . . . 75.12 111.208 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.469 ' HE1' HG13 ' A' ' 71' ' ' ILE . 9.3 mmt -65.9 -32.82 74.55 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.433 0.693 . . . . 63.45 112.589 -176.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mmtp -66.13 -38.75 88.92 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 123.515 0.509 . . . . 74.34 110.372 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -33.32 74.36 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.718 0.807 . . . . 70.53 110.857 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.01 -35.23 50.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.731 0.812 . . . . 74.34 110.52 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.26 -27.01 61.33 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.076 0.95 . . . . 74.14 111.51 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.85 -8.11 56.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.178 0.991 . . . . 71.13 111.092 173.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 58.27 36.72 25.86 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.679 1.192 . . . . 73.52 111.749 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -65.46 96.51 0.25 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.6 -0.727 . . . . 73.54 110.757 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 67.3 119.39 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.123 1.369 . . . . 74.25 112.211 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -71.1 102.2 2.42 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 121.712 0.768 . . . . 74.11 109.717 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -137.9 160.67 38.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.679 0.792 . . . . 65.43 111.17 -168.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 96.5 10.32 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.484 -1.302 . . . . 64.13 107.484 170.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 36.7 mm -96.7 132.48 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.79 -0.818 . . . . 62.11 108.79 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 22' ' ' VAL . 8.1 tt -105.17 117.29 33.62 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.216 -1.031 . . . . 75.23 108.216 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.2 mm -102.34 112.54 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.989 -0.745 . . . . 75.24 108.989 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -89.24 133.47 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 107.948 -1.13 . . . . 73.1 107.948 170.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -133.79 118.62 18.24 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 107.921 -1.141 . . . . 44.13 107.921 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -83.17 -22.16 33.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.953 0.501 . . . . 64.53 111.924 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 63' ' ' LEU . 21.8 t70 -105.59 141.07 37.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.862 0.865 . . . . 73.43 109.264 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -78.06 -31.22 50.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.564 0.746 . . . . 74.41 111.894 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -69.46 -36.74 76.87 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.959 -0.756 . . . . 74.23 108.959 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 32' ' ' VAL . 79.2 mt -58.89 -41.45 87.22 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 123.557 0.743 . . . . 75.25 110.968 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 8.0 tt -61.08 -47.58 85.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.693 0.621 . . . . 74.12 110.596 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.59 -52.02 66.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.592 0.557 . . . . 75.14 110.975 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.53 -46.71 70.25 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.286 0.991 . . . . 64.41 110.458 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.9 tpp -55.2 -56.36 20.81 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.525 1.141 . . . . 73.23 110.549 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 71' ' ' ILE . 74.6 mt -64.15 -35.26 80.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.757 0.823 . . . . 73.32 112.473 -173.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 43.3 mt-10 -67.08 -40.4 86.98 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.621 0.575 . . . . 64.31 110.563 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 42' ' ' MET . 82.8 mt -68.61 -32.34 72.14 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.418 0.687 . . . . 71.52 111.093 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' HE1' ' A' ' 42' ' ' MET . 77.2 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.106 0.563 . . . . 63.34 110.013 175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -62.0 -33.83 75.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.855 0.462 . . . . 55.2 110.235 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 75.1 mmtt -68.08 -40.42 82.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.553 . . . . 63.34 110.692 175.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.74 -74.65 0.21 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 63.42 110.058 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.15 69.11 0.19 Allowed Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.909 -0.477 . . . . 62.3 111.909 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -126.86 148.91 49.97 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.91 0.484 . . . . 75.2 111.649 -176.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.831 0.852 . . . . 71.22 110.469 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 71' ' ' ILE . 84.5 t -102.36 128.44 55.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.143 -0.48 . . . . 64.22 110.58 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.448 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 19.5 m-85 -114.79 114.59 25.77 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 106.293 -1.743 . . . . 63.52 106.293 170.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 6' ' ' LEU . 41.8 tp -107.14 132.49 52.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.694 0.798 . . . . 74.04 111.657 -168.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 35.9 tp -108.29 123.02 48.15 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.792 0.837 . . . . 70.23 109.098 166.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 90' ' ' LEU . 87.6 mt -106.11 113.34 26.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 123.825 0.85 . . . . 73.03 109.265 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -113.09 112.77 24.4 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.407 0.683 . . . . 74.35 109.2 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -155.94 143.2 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.522 -0.918 . . . . 71.41 108.522 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.79 -32.55 65.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.804 0.841 . . . . 71.42 111.762 -174.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.34 98.5 8.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.222 -0.658 . . . . 64.24 109.222 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -68.52 -38.39 80.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.059 0.544 . . . . 73.03 110.932 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.5 -48.19 76.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.598 0.759 . . . . 64.21 110.89 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.9 -34.97 77.68 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.793 -0.639 . . . . 74.53 110.17 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 82' ' ' LEU . 22.8 tp -70.82 -32.02 68.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.154 -0.93 . . . . 73.52 111.061 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 14.5 tp10 -56.78 -52.26 65.71 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.929 0.768 . . . . 51.52 110.09 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.24 -56.43 20.02 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.458 1.099 . . . . 75.12 110.829 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 27.4 t80 -53.4 -44.7 68.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.633 1.173 . . . . 74.41 111.308 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -40.66 91.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.188 -0.915 . . . . 74.42 111.063 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 13.7 mtp180 -62.09 -36.86 82.99 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.671 0.607 . . . . 64.01 111.766 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.06 -51.26 70.8 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.359 0.599 . . . . 65.03 110.066 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.408 HG21 ' CD2' ' A' ' 80' ' ' LEU . 42.8 mt -68.87 -26.36 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 114.687 -1.142 . . . . 75.31 111.828 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.01 -28.09 69.56 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.099 0.96 . . . . 61.03 111.078 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -74.29 -24.41 59.24 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.703 0.801 . . . . 61.04 112.097 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.19 -15.85 59.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.142 0.577 . . . . 71.14 112.159 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.91 57.77 2.97 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.838 0.132 . . . . 44.14 113.39 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.81 158.51 28.71 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.013 0.925 . . . . 74.45 109.254 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 92.5 7.66 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.224 -1.399 . . . . 65.32 107.224 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -105.78 113.34 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.559 -0.746 . . . . 50.22 109.339 -170.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -108.47 137.11 46.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.151 0.58 . . . . 72.51 109.588 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 8.6 mtpm? -97.12 149.51 21.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.798 0.839 . . . . 75.23 109.174 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.77 153.97 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.57 0.748 . . . . 75.43 109.92 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -117.51 -30.77 5.43 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 61.21 110.556 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 152.96 21.24 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 112.664 0.616 . . . . 72.24 112.664 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -55.57 7.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.446 1.498 . . . . 43.12 111.53 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.35 -43.62 90.31 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.206 -0.906 . . . . 73.45 109.42 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.5 mm-40 -61.63 -42.68 99.23 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.185 -0.916 . . . . 71.22 111.212 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.9 -52.2 44.29 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.177 0.923 . . . . 54.12 111.246 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.46 HD11 ' HE3' ' A' ' 17' ' ' LYS . 54.7 mt -59.44 -36.35 75.76 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 124.025 0.828 . . . . 75.24 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 95.8 mttt -70.54 -29.74 66.29 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.48 -0.782 . . . . 73.41 111.816 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 112' ' ' GLU . 21.3 mm -77.28 -34.23 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 N-CA-C 109.374 -0.602 . . . . 72.22 109.374 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.6 t -62.46 -43.08 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.93 0.492 . . . . 70.41 110.62 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 34.0 ptt180 -64.82 -25.51 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.365 0.415 . . . . 70.24 111.157 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 51.6 mm-40 -72.68 -41.31 65.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 122.842 0.457 . . . . 73.33 110.022 174.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 5' ' ' ILE . 30.7 m-85 -60.78 -43.73 97.7 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.231 0.613 . . . . 74.51 111.245 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.422 ' SD ' ' HB ' ' A' ' 22' ' ' VAL . 77.0 mtm -69.46 -25.06 63.9 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.611 0.764 . . . . 74.23 111.83 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.04 -40.71 68.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.057 0.543 . . . . 63.22 110.743 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.7 mttm -66.23 -52.12 50.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.724 0.81 . . . . 73.24 110.206 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.45 -34.12 75.4 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.487 -1.233 . . . . 75.23 110.856 -176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.75 94.3 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.253 -0.885 . . . . 54.14 112.894 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.8 m -73.41 -34.8 65.68 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.782 0.433 . . . . 64.04 111.244 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.37 -15.55 59.32 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.982 0.513 . . . . 63.22 111.996 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.69 -59.03 4.72 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.047 0.539 . . . . 72.31 110.852 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -89.67 57.56 3.96 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.559 0.695 . . . . 41.22 109.316 171.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 89.66 0.15 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.232 -0.895 . . . . 75.22 110.14 171.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -57.41 -47.67 81.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.105 0.962 . . . . 74.41 110.127 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -83.81 128.64 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.152 -1.055 . . . . 63.32 108.152 172.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -69.74 116.29 9.96 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.088 0.555 . . . . 73.21 110.637 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 124.427 1.091 . . . . 64.04 110.129 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 109.828 -0.434 . . . . 74.3 109.828 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -114.79 149.87 36.31 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.602 0.761 . . . . 71.42 109.675 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.6 mt -110.6 119.08 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.762 -0.829 . . . . 61.41 108.762 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 58.4 mt -105.06 142.13 35.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.162 -1.051 . . . . 73.21 108.162 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.3 mm -114.12 102.66 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 106.946 -1.502 . . . . 43.44 106.946 172.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.649 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.37 127.93 37.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.462 -1.681 . . . . 71.02 106.462 -176.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.69 127.76 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.957 0.503 . . . . 42.43 109.689 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 58' ' ' SER . 25.2 t-20 -115.85 116.4 27.93 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.164 -1.05 . . . . 73.44 108.164 171.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -125.53 144.08 50.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.064 0.546 . . . . 71.21 109.746 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.19 -25.5 60.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.999 0.92 . . . . 71.24 110.6 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 14' ' ' LEU . 75.6 m-20 -106.48 128.64 54.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.929 0.891 . . . . 75.12 111.42 -169.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.17 -19.58 65.6 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.491 1.117 . . . . 70.23 112.045 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.46 -51.06 70.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.454 0.702 . . . . 64.25 109.869 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -64.36 -36.36 83.88 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.309 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 57' ' ' ILE . 55.0 mt -52.42 -59.58 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.161 0.584 . . . . 70.1 110.683 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.53 -32.22 69.59 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.533 -0.758 . . . . 72.41 112.398 -172.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.8 mtpt -74.84 -37.9 62.14 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.294 0.638 . . . . 72.31 112.063 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 117' ' ' VAL . 77.5 mt -62.87 -38.21 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.222 0.609 . . . . 61.24 110.264 173.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.6 mttt -53.78 -48.7 69.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.688 0.618 . . . . 64.13 111.048 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -64.66 -49.9 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.499 0.499 . . . . 62.43 110.612 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -44.38 -51.12 8.85 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.623 1.169 . . . . 53.24 112.649 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.4 m -88.56 -21.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.023 0.749 . . . . 75.45 113.023 -169.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -63.66 -35.49 80.72 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.178 0.513 . . . . 71.42 109.942 170.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -69.87 -14.36 62.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.161 -0.927 . . . . 73.04 111.572 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 21.6 mm-40 -110.73 4.76 20.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.248 1.019 . . . . 74.24 111.804 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.57 40.43 98.68 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 114.551 0.58 . . . . 63.42 114.551 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.6 m-85 -99.98 131.83 45.71 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.93 0.892 . . . . 72.43 109.316 173.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.9 mp0 -77.7 105.91 9.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.319 1.047 . . . . 54.25 108.896 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.8 t -82.02 131.64 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.506 0.722 . . . . 75.21 111.737 -170.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 41' ' ' GLU . 96.8 mtt180 -126.36 156.03 41.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.333 1.053 . . . . 75.33 109.725 165.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.86 125.28 17.66 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.165 -1.05 . . . . 74.44 108.165 166.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 38' ' ' LEU . 60.8 t -104.2 115.23 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.958 0.903 . . . . 75.31 108.573 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.68 -8.94 17.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.347 0.659 . . . . 71.52 110.906 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.95 146.02 30.88 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.291 0.567 . . . . 73.31 111.769 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -58.1 -30.56 66.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.642 1.177 . . . . 61.41 112.758 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.08 -45.59 86.88 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.338 0.655 . . . . 74.13 110.908 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -69.18 -42.19 76.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.365 -0.834 . . . . 72.22 109.412 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HB2' HG11 ' A' ' 32' ' ' VAL . 5.7 tt -55.71 -50.4 70.42 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.138 1.375 . . . . 75.34 112.628 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.562 -0.744 . . . . 74.43 111.459 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 32.2 mmmt -69.78 -55.29 10.26 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.817 0.698 . . . . 75.24 110.444 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 10.6 pt-20 -68.79 -30.83 69.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.193 0.812 . . . . 75.53 113.193 -161.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.508 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -68.98 -38.0 79.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 75.23 111.444 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.79 -33.24 70.54 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.37 -0.377 . . . . 73.43 109.998 175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 14.8 mmmm -64.68 -37.01 86.11 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.833 -0.621 . . . . 52.23 110.583 176.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD12 ' SD ' ' A' ' 42' ' ' MET . 82.4 mt -57.92 -37.12 73.49 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.471 0.708 . . . . 65.44 112.085 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.35 67.08 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.272 -0.876 . . . . 74.33 111.448 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.67 -27.56 15.8 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.95 0.9 . . . . 61.34 110.994 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 13.5 mm-40 -68.36 -39.39 81.84 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.845 0.858 . . . . 62.22 109.795 178.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 72.11 -67.47 0.26 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.567 1.547 . . . . 75.5 114.489 168.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -61.97 175.98 0.62 Allowed 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 124.054 0.942 . . . . 74.14 112.376 -168.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -74.7 14.34 0.5 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.354 1.242 . . . . 74.44 114.354 -162.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.13 123.55 9.66 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.558 0.743 . . . . 73.12 112.147 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HG3' ' HB ' ' A' ' 3' ' ' ILE . 1.5 mppt? -81.3 103.45 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.16 -1.052 . . . . 71.24 108.16 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 28' ' ' GLN . 21.3 mm -101.17 112.33 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.527 -1.286 . . . . 74.42 107.527 -176.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -93.17 126.7 38.41 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.244 -1.021 . . . . 75.5 108.244 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.649 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.9 mm -110.75 112.27 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 108.997 -0.742 . . . . 72.21 108.997 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HG23 ' A' ' 15' ' ' ILE . 59.7 mt -92.42 127.59 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.236 -1.024 . . . . 71.23 108.236 169.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.8 t -135.86 116.5 13.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.614 -1.254 . . . . 60.33 107.614 173.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.16 -20.44 62.29 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.652 0.781 . . . . 71.44 110.898 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.26 134.89 49.68 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.978 0.911 . . . . 73.32 110.518 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 60.9 mttp -78.46 -25.54 45.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.301 0.641 . . . . 74.35 112.25 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 34.2 tt0 -65.75 -46.23 79.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.329 -0.619 . . . . 74.25 109.329 177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.06 -41.96 84.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.491 0.716 . . . . 73.3 110.728 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 80' ' ' LEU . 6.6 tt -58.63 -38.7 78.64 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.954 0.502 . . . . 74.04 111.316 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 58.7 mtpt -66.49 -48.87 68.46 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.097 0.559 . . . . 75.44 111.028 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 10.8 mm-40 -54.81 -44.56 73.91 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.135 0.897 . . . . 72.31 109.968 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.591 ' HG2' HD21 ' A' ' 6' ' ' LEU . 48.0 tpp -61.22 -47.57 85.48 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.637 -1.62 . . . . 61.23 111.685 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' ILE . 97.3 mt -66.21 -36.16 82.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.319 0.648 . . . . 73.22 111.238 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 42.2 mt-10 -67.26 -34.14 76.81 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.795 -0.639 . . . . 74.43 110.387 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.71 -37.87 79.83 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.711 0.404 . . . . 63.05 110.819 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.605 HD13 HG21 ' A' ' 78' ' ' VAL . 98.7 mt -65.32 -32.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.425 0.69 . . . . 62.42 110.009 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -67.4 -23.21 65.54 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.66 0.784 . . . . 75.41 111.468 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.4 mmmm -83.8 -30.91 26.19 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.466 0.706 . . . . 72.12 111.235 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -94.06 -60.67 1.69 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.385 0.674 . . . . 65.44 110.569 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.14 84.98 1.72 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.548 -0.751 . . . . 54.21 111.575 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -131.44 152.75 50.4 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.655 0.782 . . . . 70.12 110.927 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -76.26 94.07 3.5 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.873 -0.788 . . . . 75.45 108.873 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 71' ' ' ILE . 85.2 t -102.43 126.86 56.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 123.646 0.779 . . . . 64.2 110.995 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.42 114.58 28.97 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.24 -1.392 . . . . 72.01 107.24 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 64' ' ' LEU . 37.8 tp -102.1 124.33 47.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.161 0.584 . . . . 74.13 111.377 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.8 tp -106.35 122.03 45.42 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.729 -0.841 . . . . 74.23 108.729 168.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 90' ' ' LEU . 86.7 mt -106.94 112.78 25.89 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.073 0.949 . . . . 73.34 109.075 172.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -109.28 117.83 35.1 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.219 -1.4 . . . . 55.11 107.219 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 90' ' ' LEU . 23.0 t70 -154.61 153.74 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.374 -0.602 . . . . 73.35 109.374 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.4 -19.98 25.86 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.33 0.652 . . . . 65.12 111.278 -172.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -109.1 85.44 2.1 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.93 . . . . 74.23 108.772 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.1 mt-10 -81.69 -12.02 58.82 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.638 1.347 . . . . 65.31 114.638 -168.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -71.68 -43.38 66.1 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 108.932 -0.766 . . . . 73.22 108.932 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.37 -39.08 74.8 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.879 -1.055 . . . . 75.35 109.545 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -63.48 -37.18 86.3 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.117 -0.947 . . . . 51.44 112.055 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 7.3 tt0 -72.18 -37.15 69.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.671 0.388 . . . . 65.1 111.254 -176.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HA ' ' HE ' ' A' ' 95' ' ' ARG . 16.8 mm-40 -64.22 -31.93 73.32 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 75.23 111.563 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -79.52 -36.89 37.79 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.133 0.973 . . . . 72.11 110.824 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 22.8 ttpp -61.92 -55.71 26.8 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.936 0.895 . . . . 75.52 111.489 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 43.6 ptt85 -57.34 -24.12 53.19 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.405 1.066 . . . . 74.3 112.703 -170.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.4 -51.37 37.21 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.298 1.039 . . . . 73.1 110.788 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.0 mt -67.23 -39.06 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.798 1.239 . . . . 55.44 110.752 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.24 -29.72 67.71 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.132 -1.395 . . . . 72.24 110.942 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -74.14 -19.44 60.57 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.437 0.695 . . . . 73.12 110.917 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -86.26 0.3 54.12 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.81 0.844 . . . . 61.32 111.983 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.67 54.47 2.93 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.842 0.135 . . . . 70.2 113.189 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -123.11 142.82 50.47 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.53 -0.915 . . . . 73.41 108.53 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.96 92.08 4.9 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.734 -0.839 . . . . 75.12 108.734 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 20.2 t -106.18 131.05 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.466 0.706 . . . . 74.23 110.165 -174.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -126.76 148.47 49.9 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.979 0.912 . . . . 75.23 110.001 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 10.0 mtpm? -112.35 148.93 33.22 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.716 0.806 . . . . 74.25 110.555 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.99 145.63 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.183 0.593 . . . . 74.22 111.343 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 p -106.76 -35.84 6.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.948 0.899 . . . . 72.22 110.568 170.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.79 142.08 35.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.402 0.681 . . . . 71.4 110.585 -168.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -70.9 -41.11 71.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.273 0.629 . . . . 71.43 111.565 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 66.3 mm-40 -64.01 -49.33 72.86 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.792 0.437 . . . . 73.33 110.224 176.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.8 tp10 -64.63 -34.22 77.78 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.988 0.805 . . . . 74.34 111.704 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.06 -48.37 78.72 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.984 0.514 . . . . 75.1 110.562 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 17' ' ' LYS . 64.6 mt -60.92 -37.44 82.3 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.172 0.92 . . . . 51.22 110.759 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 33.0 mmtp -64.05 -42.09 97.15 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.445 0.698 . . . . 70.24 110.858 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.1 mm -70.17 -30.1 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.676 0.61 . . . . 73.53 111.111 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.0 t -63.95 -43.1 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.677 -0.49 . . . . 71.3 109.677 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -65.36 -31.34 72.4 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.637 0.775 . . . . 71.5 111.223 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 35.0 mm-40 -66.59 -47.91 71.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.22 0.608 . . . . 73.42 110.165 174.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 5' ' ' ILE . 20.5 m-30 -61.42 -38.56 87.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.371 0.668 . . . . 71.52 111.929 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.647 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.8 mtm -68.01 -33.05 73.88 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.244 0.618 . . . . 75.22 111.775 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -51.06 60.52 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.533 0.733 . . . . 64.43 109.755 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 57.4 mttm -60.48 -48.21 82.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.192 -0.913 . . . . 60.34 109.933 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.3 92.8 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 114.653 -1.158 . . . . 44.41 110.851 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.94 -23.0 72.58 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.812 0.695 . . . . 53.44 113.078 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 m -80.69 -33.61 35.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.131 0.572 . . . . 71.34 110.141 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 75.7 mt -76.98 -16.7 59.25 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.565 0.746 . . . . 75.3 110.337 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -74.47 -7.05 51.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.83 1.252 . . . . 73.42 112.75 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -71.46 80.79 0.78 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.917 0.487 . . . . 62.5 110.614 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 167.84 -40.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.036 2.134 . . . . 74.4 107.716 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.0 127.93 33.74 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.901 -1.045 . . . . 64.53 109.331 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -82.86 104.32 12.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.613 0.765 . . . . 73.01 110.064 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -116.41 144.18 44.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.96 1.304 . . . . 75.53 108.235 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 C--O 1.25 1.106 0 N-CA-C 108.603 -0.888 . . . . 63.2 108.603 173.809 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.396 0.141 . . . . 74.45 111.254 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.634 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 15.1 ptmt -55.65 148.57 15.83 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.321 1.23 . . . . 73.22 114.321 -165.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.513 HG12 ' HB3' ' A' ' 77' ' ' LYS . 68.2 mt -94.77 122.2 46.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 113.883 -1.508 . . . . 73.42 109.473 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.525 HD21 ' HE2' ' A' ' 2' ' ' LYS . 65.0 mt -103.75 145.73 29.66 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.981 -0.748 . . . . 52.34 108.981 171.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.1 mm -105.26 103.71 15.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.331 -1.729 . . . . 55.54 106.331 168.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.72 118.04 30.3 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.622 -1.622 . . . . 74.32 106.622 -174.461 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 18' ' ' ILE . 69.6 mt -127.68 122.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.408 -0.59 . . . . 72.52 109.408 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.6 t30 -114.59 112.48 22.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 107.199 -1.408 . . . . 71.24 107.199 169.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -126.12 144.29 50.8 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.992 -0.744 . . . . 71.22 108.992 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -80.45 -24.56 39.46 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.658 0.742 . . . . 72.54 109.032 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.29 115.65 19.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.796 -1.093 . . . . 52.03 111.366 -171.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.04 -37.62 77.41 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.911 1.285 . . . . 51.32 111.63 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.83 -45.1 95.29 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.164 -0.926 . . . . 64.42 110.738 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.4 -32.92 74.8 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 119.174 -0.441 . . . . 75.13 111.824 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.5 mt -54.22 -66.51 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 123.98 0.8 . . . . 74.21 109.608 175.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.02 -34.21 77.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.887 0.875 . . . . 72.11 112.844 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -66.78 -50.63 62.05 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.228 0.611 . . . . 72.33 110.906 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 7' ' ' ILE . 94.8 mt -62.43 -35.78 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.598 0.759 . . . . 64.41 110.55 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.2 mtpt -54.66 -46.29 73.97 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.127 0.571 . . . . 72.24 111.397 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.76 -41.9 51.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.825 0.45 . . . . 74.33 110.736 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -46.8 -53.97 10.84 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.453 1.096 . . . . 63.42 111.98 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.519 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.5 m -84.94 -24.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 114.95 -1.023 . . . . 63.32 111.759 -171.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.1 -41.17 87.49 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.685 0.794 . . . . 75.12 110.042 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -68.51 -28.98 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.977 -1.01 . . . . 74.24 111.22 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.33 1.32 55.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.637 0.775 . . . . 64.35 112.535 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.45 17.43 71.2 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 114.789 0.676 . . . . 73.04 114.789 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 18.6 m-85 -99.27 97.69 8.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.193 -1.04 . . . . 61.14 108.193 176.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -61.67 119.92 9.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.901 0.881 . . . . 71.24 110.33 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.612 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.4 t -75.65 131.81 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.107 0.963 . . . . 74.51 110.497 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -128.75 130.04 46.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.967 -1.494 . . . . 75.15 106.967 166.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.67 137.01 55.03 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.804 -0.813 . . . . 73.0 108.804 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 38' ' ' LEU . 75.2 t -127.28 118.98 51.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 124.238 1.015 . . . . 74.12 108.653 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -120.12 7.59 10.84 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.617 0.767 . . . . 73.42 110.717 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 23.9 t70 -146.06 141.48 27.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.03 0.532 . . . . 72.43 111.055 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 17.9 m -56.35 -42.42 77.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.372 1.069 . . . . 73.12 113.104 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.3 m-20 -61.86 -41.78 98.26 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 110.339 -0.245 . . . . 72.25 110.339 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 45.5 mt-10 -61.39 -39.33 90.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.268 0.627 . . . . 72.14 110.635 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' HG11 ' A' ' 32' ' ' VAL . 7.8 tt -57.99 -52.15 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.218 0.949 . . . . 64.3 111.442 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.9 mtpp -69.84 -36.59 75.69 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.837 -1.074 . . . . 74.43 110.019 -174.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.1 mmtp -62.05 -44.17 97.27 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.3 0.64 . . . . 63.43 110.713 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.2 -48.74 80.13 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.153 0.981 . . . . 73.15 110.373 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -71.64 -22.52 61.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.516 -0.766 . . . . 72.05 112.37 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 mmmm -66.83 -43.32 84.07 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.645 -0.502 . . . . 74.53 109.645 170.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 29.8 mmmt -71.43 -33.69 69.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.071 0.548 . . . . 55.42 111.014 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.34 -40.01 81.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.396 0.678 . . . . 64.22 109.625 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.24 77.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.475 0.71 . . . . 64.4 111.084 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.93 -35.04 66.93 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.699 0.8 . . . . 74.41 110.939 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.81 104.3 2.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.407 0.683 . . . . 62.11 110.75 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 54.74 3.1 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 122.234 1.016 . . . . 74.02 110.143 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -148.6 162.9 38.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.607 -1.179 . . . . 61.4 109.769 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.634 ' HA ' ' HB3' ' A' ' 2' ' ' LYS . 42.8 p90 -101.6 30.33 4.36 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.596 1.158 . . . . 73.1 111.779 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.14 132.43 53.91 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 118.065 0.393 . . . . 71.02 110.335 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -76.09 116.22 16.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.052 0.453 . . . . 74.33 110.518 -175.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -124.93 117.67 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.207 -0.906 . . . . 63.3 108.713 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -90.45 127.52 36.24 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.647 -1.242 . . . . 63.24 107.647 169.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.622 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.4 mm -104.48 112.48 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.014 -0.735 . . . . 63.03 109.014 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 15' ' ' ILE . 68.8 mt -92.28 130.69 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.054 -1.091 . . . . 73.12 108.054 168.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -143.79 130.61 20.36 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.05 -1.463 . . . . 61.01 107.05 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -93.66 -5.78 47.86 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.961 0.504 . . . . 74.33 110.536 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -110.16 115.66 30.14 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.02 -1.104 . . . . 65.24 108.02 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.07 -17.83 61.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.293 0.637 . . . . 62.41 112.073 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.87 -42.19 70.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.344 0.657 . . . . 71.23 109.621 171.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.52 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.93 -0.577 . . . . 74.15 110.091 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 93' ' ' PHE . 9.5 tt -60.9 -43.94 97.83 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.504 -0.317 . . . . 54.14 110.642 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -57.02 -50.09 73.79 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.345 0.658 . . . . 64.1 111.409 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -51.08 -51.09 56.71 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.99 0.916 . . . . 62.43 111.22 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 6' ' ' LEU . 46.7 tpp -58.52 -43.14 89.06 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.248 -1.342 . . . . 71.45 111.195 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.443 HD23 HD12 ' A' ' 71' ' ' ILE . 81.0 mt -69.39 -38.48 78.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.506 0.722 . . . . 44.52 112.215 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -57.81 -45.76 85.64 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.566 0.541 . . . . 72.02 110.154 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.62 -40.94 84.66 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.881 -1.054 . . . . 72.33 111.574 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.443 HD12 HD23 ' A' ' 68' ' ' LEU . 37.4 mt -58.84 -42.39 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 124.533 1.133 . . . . 62.44 110.72 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.4 t -64.89 -41.44 95.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.885 0.741 . . . . 51.43 111.03 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -76.03 -35.25 59.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.083 0.553 . . . . 71.31 111.346 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.55 -15.63 59.14 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.61 0.764 . . . . 64.01 110.995 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.74 39.46 85.99 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 123.615 0.626 . . . . 75.22 113.747 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.0 m-30 -81.97 138.44 34.93 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.481 0.312 . . . . 63.41 111.452 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.513 ' HB3' HG12 ' A' ' 3' ' ' ILE . 6.7 tmtm? -84.59 92.78 8.22 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 106.947 -1.501 . . . . 73.23 106.947 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LEU . 90.6 t -114.48 133.26 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.061 0.544 . . . . 70.51 111.686 -168.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -99.74 151.47 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.81 -1.181 . . . . 75.01 107.81 171.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 64' ' ' LEU . 63.6 tp -132.08 132.67 43.54 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.261 0.482 . . . . 63.41 111.789 -174.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 116' ' ' ILE . 45.1 tp -123.26 114.09 19.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.423 1.089 . . . . 65.41 108.699 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.81 136.24 40.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.759 0.823 . . . . 75.31 109.137 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -141.63 115.51 9.19 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.042 0.537 . . . . 61.12 109.817 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 43.7 m-20 -134.63 149.22 50.53 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.082 0.953 . . . . 72.02 108.452 172.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.84 -32.32 71.93 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.27 0.628 . . . . 74.31 109.822 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -90.4 96.53 10.7 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.434 -0.95 . . . . 71.51 108.434 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 31.3 mt-10 -74.9 -14.18 60.63 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.356 -0.838 . . . . 72.0 112.3 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.16 -55.61 11.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.531 0.732 . . . . 73.04 110.992 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.99 -34.12 75.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.832 0.453 . . . . 72.21 110.562 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 17.2 tp -61.56 -42.98 99.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.414 1.086 . . . . 72.22 110.706 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 19.5 tp10 -64.76 -54.29 33.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.268 0.627 . . . . 63.45 110.265 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.32 -58.25 6.08 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.318 1.011 . . . . 70.21 111.749 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' A' ' 64' ' ' LEU . 40.8 t80 -61.68 -33.36 73.84 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.093 0.957 . . . . 72.01 111.73 -175.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -61.29 -47.97 83.51 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.347 1.059 . . . . 64.31 109.759 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 61.9 mtp85 -61.21 -33.81 74.08 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.679 0.792 . . . . 74.44 112.575 -173.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 5.0 mptp? -63.53 -52.15 62.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.946 0.499 . . . . 74.04 109.762 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -73.06 -30.32 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 114.769 -1.105 . . . . 73.11 111.068 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.52 -38.73 90.51 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 108.708 -0.849 . . . . 62.45 108.708 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 t -73.31 -23.47 60.26 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.422 -0.808 . . . . 74.43 111.208 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 92.3 mt-30 -73.21 -10.71 60.06 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.378 0.671 . . . . 71.33 111.516 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.99 55.25 2.29 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.419 -0.672 . . . . 74.43 111.419 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.93 148.66 49.17 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.8 0.84 . . . . 72.23 110.474 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -75.2 93.22 2.79 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.494 -1.299 . . . . 74.45 107.494 167.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.61 118.34 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.38 -0.6 . . . . 75.1 109.38 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.413 HH11 HD12 ' A' ' 116' ' ' ILE . 23.5 mmt85 -111.03 132.64 54.05 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.786 -1.19 . . . . 75.14 107.786 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 14.3 ptmm? -111.98 147.31 36.2 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.529 -0.545 . . . . 74.5 109.529 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -155.51 159.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 122.792 0.437 . . . . 73.12 110.735 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -141.72 43.92 1.72 Allowed 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 107.5 -1.296 . . . . 72.42 107.5 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.48 133.92 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.361 -1.291 . . . . 52.0 109.603 -174.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.16 -47.04 47.26 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.132 0.789 . . . . 73.54 113.132 -170.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.23 -33.79 63.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.666 0.387 . . . . 64.23 110.348 -175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.2 tp10 -64.71 -40.47 95.41 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.674 0.609 . . . . 75.44 109.64 173.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -48.36 82.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.573 0.546 . . . . 55.2 111.755 177.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.484 HD11 ' HE2' ' A' ' 17' ' ' LYS . 93.5 mt -57.72 -38.33 75.11 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.421 0.688 . . . . 61.22 110.426 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 71.2 tttt -62.69 -46.2 89.27 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.995 -1.002 . . . . 74.14 110.691 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.584 HG21 HD13 ' A' ' 81' ' ' LEU . 46.3 mm -58.16 -42.36 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.258 0.623 . . . . 74.03 110.942 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.2 t -65.81 -41.11 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 115.441 -0.799 . . . . 65.51 110.482 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -67.62 -30.05 69.52 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.018 0.527 . . . . 65.22 111.403 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 47.7 mt-10 -66.7 -46.12 76.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.216 0.606 . . . . 64.13 109.482 173.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 5' ' ' ILE . 18.6 m-30 -60.24 -45.52 92.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.201 1.0 . . . . 74.23 112.634 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.519 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.0 mtm -67.29 -29.03 68.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.404 0.682 . . . . 63.14 111.418 177.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -71.56 -38.32 70.98 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.688 0.795 . . . . 63.03 110.979 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 64.0 mttm -66.23 -49.13 68.3 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.023 0.929 . . . . 72.31 110.055 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 128' ' ' GLU . . . -62.76 -38.41 90.45 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 114.866 -1.061 . . . . 74.15 109.843 175.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.43 -35.39 91.89 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.391 -0.822 . . . . 53.12 113.369 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.3 m -66.69 -31.77 72.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.941 0.497 . . . . 65.42 110.243 177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.55 -37.65 27.41 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.773 0.829 . . . . 73.22 110.866 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 57.2 mm-40 -68.63 -48.66 63.47 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.207 0.603 . . . . 74.41 111.161 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -79.61 167.11 21.15 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.342 -0.845 . . . . 62.31 110.583 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -58.77 118.2 5.44 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.289 0.993 . . . . 63.51 110.46 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -67.56 -35.7 79.55 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.186 -0.915 . . . . 75.24 109.498 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -76.93 89.73 3.51 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.56 -1.2 . . . . 70.05 109.414 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -92.01 28.82 1.74 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.694 0.798 . . . . 75.51 110.818 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.095 0.958 . . . . 75.41 109.64 178.254 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 110.126 -0.324 . . . . 74.43 110.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -159.85 161.3 34.44 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.238 1.015 . . . . 65.22 109.326 171.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.74 124.46 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.419 0.688 . . . . 73.23 109.939 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.9 mt -117.01 110.29 18.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.852 0.861 . . . . 74.01 108.924 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.74 107.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.152 -1.055 . . . . 74.42 108.152 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.02 125.51 38.69 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.774 -1.565 . . . . 61.11 106.774 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.44 129.12 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.029 0.532 . . . . 70.13 110.093 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -120.85 115.7 23.76 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.414 -1.328 . . . . 74.21 107.414 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -125.45 144.24 50.62 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 108.789 -0.819 . . . . 73.51 108.789 170.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 84' ' ' ASP . 5.6 m120 -73.13 -27.72 61.84 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.155 -0.683 . . . . 71.54 109.155 174.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -96.42 113.64 25.24 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.525 1.13 . . . . 52.55 110.16 -170.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.0 -20.42 63.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.504 0.722 . . . . 74.23 112.331 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -55.0 -49.57 71.19 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.965 0.906 . . . . 64.22 110.635 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 110' ' ' ASP . 3.5 mm? -67.7 -31.13 70.88 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.456 -0.793 . . . . 63.55 112.016 179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 58.6 mt -55.18 -58.43 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 118.21 0.459 . . . . 73.14 110.272 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -67.13 -35.66 80.2 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.485 0.55 . . . . 73.04 112.485 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 114' ' ' LEU . 27.7 mtpp -71.3 -39.55 71.38 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.23 0.456 . . . . 74.4 112.23 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.73 -36.0 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.5 0.72 . . . . 53.12 109.909 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 96.9 mttt -55.28 -37.39 67.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.976 0.51 . . . . 74.12 111.54 175.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -70.7 -48.81 52.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.483 0.713 . . . . 71.22 111.024 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -52.07 -38.72 58.09 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.828 0.851 . . . . 73.4 112.462 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.721 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.2 m -100.07 -9.19 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 65.31 112.317 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.46 -46.34 89.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.133 0.973 . . . . 65.24 110.034 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -83.49 3.81 30.63 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.516 -1.22 . . . . 72.02 111.406 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 29.9 mm-40 -113.52 -2.24 13.92 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.046 0.938 . . . . 72.13 110.936 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 48.74 41.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 114.458 0.543 . . . . 71.51 114.458 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 43.5 m-85 -108.19 121.94 45.89 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.776 -0.824 . . . . 63.24 108.776 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -74.42 107.81 6.8 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.847 -0.797 . . . . 73.51 108.847 170.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG21 ' HG2' ' A' ' 19' ' ' LYS . 47.0 t -79.27 124.14 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.535 -0.543 . . . . 61.14 109.535 177.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 29.8 mmm180 -116.17 120.53 39.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.196 0.998 . . . . 73.21 109.122 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -98.12 118.98 35.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.47 0.708 . . . . 75.34 110.288 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.12 117.42 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.967 0.907 . . . . 73.23 109.449 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -131.11 5.58 4.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.98 0.912 . . . . 63.24 110.22 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.19 144.11 34.59 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.783 0.833 . . . . 71.43 109.909 -175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 19.1 m -69.47 -38.21 77.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.32 1.048 . . . . 70.34 113.132 -175.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.2 t70 -71.22 -34.09 70.5 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.799 0.44 . . . . 74.23 109.86 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.1 mm-40 -69.35 -33.21 72.75 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.636 0.585 . . . . 71.13 110.644 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.4 tt -58.78 -45.88 88.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.235 0.614 . . . . 64.14 110.404 171.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 10.2 mtmp? -65.61 -27.41 68.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.859 0.464 . . . . 74.35 111.551 178.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.58 -48.5 79.2 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.672 -0.492 . . . . 71.33 109.672 172.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.8 mm-40 -61.76 -51.74 67.1 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 124.359 1.037 . . . . 73.32 110.79 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 53.7 mmm -60.84 -29.02 69.25 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.871 0.732 . . . . 74.35 111.655 -173.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.3 -59.67 2.85 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.834 0.709 . . . . 63.23 110.194 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -63.56 -35.57 80.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.491 0.716 . . . . 72.12 112.617 -169.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.09 -38.55 83.27 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.609 0.764 . . . . 72.11 110.595 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.22 -33.56 26.08 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.689 -0.687 . . . . 60.13 112.275 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.63 -25.99 54.42 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.593 0.757 . . . . 72.13 110.672 -175.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -89.83 76.72 7.12 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 108.502 -0.925 . . . . 73.44 108.502 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.621 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.35 96.19 0.48 Allowed 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.364 -0.834 . . . . 73.12 109.469 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 52' ' ' GLU . 51.8 t30 -168.94 150.75 4.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.999 -1.001 . . . . 74.1 108.528 -173.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -75.59 5.03 6.53 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.355 0.662 . . . . 72.32 112.417 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 36.0 tt0 -57.41 120.99 9.16 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.181 0.992 . . . . 64.32 110.726 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -83.58 112.83 20.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.963 -1.017 . . . . 73.24 109.576 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.33 150.87 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.134 0.973 . . . . 72.12 108.732 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 22' ' ' VAL . 9.0 tt -116.18 128.5 55.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.097 -1.075 . . . . 74.31 108.097 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.4 mm -115.95 123.24 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 N-CA-C 109.06 -0.719 . . . . 61.34 109.06 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.8 mt -107.16 132.49 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.983 -0.747 . . . . 74.41 108.983 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -131.03 119.94 22.73 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 107.288 -1.375 . . . . 63.12 107.288 172.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -70.37 -23.34 62.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.081 0.552 . . . . 63.12 110.808 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -102.47 116.12 31.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.437 -0.949 . . . . 72.12 108.437 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -78.18 -13.18 59.97 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.953 0.723 . . . . 73.35 112.953 -174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -68.0 -45.22 74.66 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.701 -0.852 . . . . 55.53 108.701 168.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.99 -36.63 84.18 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 115.823 -0.626 . . . . 75.53 110.639 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 80' ' ' LEU . 7.1 tt -57.12 -45.8 83.16 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.431 0.457 . . . . 73.51 110.464 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.71 -54.14 49.88 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.659 0.599 . . . . 62.31 111.06 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.78 -47.73 64.07 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 124.186 0.929 . . . . 65.43 110.492 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.602 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 43.8 ttm -62.42 -49.47 75.35 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.109 -1.405 . . . . 42.32 112.09 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 71' ' ' ILE . 87.5 mt -67.58 -29.95 69.44 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.049 0.54 . . . . 72.12 111.868 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.92 -35.53 72.3 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.975 0.51 . . . . 71.43 110.035 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.72 -31.86 63.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.999 0.52 . . . . 74.42 111.04 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.651 HD12 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -72.04 -30.26 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 109.497 -0.557 . . . . 61.21 109.497 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -65.52 -29.1 69.69 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.294 0.638 . . . . 70.21 110.388 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.63 -21.02 41.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.794 0.838 . . . . 72.22 111.059 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -91.08 -22.28 20.81 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.137 0.975 . . . . 74.25 111.37 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.25 26.13 71.47 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-O 119.284 -0.731 . . . . 41.24 114.874 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -81.11 148.19 29.73 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 117.729 0.764 . . . . 75.12 111.343 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -75.99 114.7 14.92 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.862 0.865 . . . . 74.55 110.349 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 4' ' ' LEU . 95.4 t -118.66 135.02 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.356 0.598 . . . . 72.22 111.984 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -112.07 117.61 33.11 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.091 -1.448 . . . . 72.32 107.091 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 64' ' ' LEU . 56.8 tp -104.34 121.84 44.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.744 0.418 . . . . 63.14 110.551 -174.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 tp -107.03 113.89 27.64 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.712 -0.848 . . . . 74.42 108.712 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 90' ' ' LEU . 90.9 mt -101.82 136.51 41.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.836 0.855 . . . . 42.02 109.294 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -138.38 106.67 5.78 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.697 0.799 . . . . 63.23 108.943 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.4 ' HA ' ' OD1' ' A' ' 10' ' ' ASN . 20.5 t70 -141.19 148.69 40.36 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.249 -0.887 . . . . 73.12 108.632 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.99 -41.07 99.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.327 0.651 . . . . 65.23 111.701 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.6 95.33 9.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.011 0.524 . . . . 70.14 110.216 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.51 -32.53 62.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.803 1.241 . . . . 73.05 113.26 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.42 -57.72 11.73 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.09 0.868 . . . . 71.2 110.96 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.4 -16.34 46.31 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.847 0.459 . . . . 64.31 111.452 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 26.3 tp -70.17 -38.22 75.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 54.52 110.258 174.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -77.19 -36.69 54.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.748 0.419 . . . . 74.43 110.522 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -53.52 -45.63 69.82 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.719 0.637 . . . . 62.35 111.062 170.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -74.25 -35.62 63.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.034 -0.985 . . . . 61.45 110.873 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 27.3 ttpp -61.21 -56.91 15.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.436 0.694 . . . . 63.51 111.148 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -60.78 -24.1 65.51 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.288 0.993 . . . . 75.42 112.995 -170.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -51.01 56.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.575 0.75 . . . . 72.33 110.845 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.75 -29.54 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 114.915 -1.039 . . . . 73.42 110.521 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -73.68 -30.87 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.846 -1.07 . . . . 70.54 109.743 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -74.25 -18.92 60.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.141 0.576 . . . . 72.34 110.677 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -75.03 -22.15 58.62 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.891 0.476 . . . . 65.12 110.382 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.35 47.53 1.05 Allowed Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.066 0.365 . . . . 71.35 112.657 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -126.27 138.23 53.59 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.137 0.975 . . . . 73.43 108.626 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.08 94.01 2.84 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.63 -0.878 . . . . 73.2 108.63 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 80' ' ' LEU . 22.8 t -102.96 117.68 48.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.119 -0.946 . . . . 74.42 109.121 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -110.0 147.27 33.83 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.648 0.779 . . . . 64.3 109.217 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.572 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 9.7 mtmp? -98.4 161.93 13.43 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.062 -0.517 . . . . 74.23 109.814 172.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -161.65 154.32 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 114.983 -1.008 . . . . 61.42 108.967 170.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.9 p -128.94 -25.26 2.81 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.115 0.966 . . . . 74.1 110.253 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.18 149.44 21.48 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.892 0.877 . . . . 71.54 111.63 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 14' ' ' LEU . 7.2 m-20 -64.26 -57.97 7.9 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.357 1.063 . . . . 74.51 112.655 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 38.4 mt-10 -67.14 -37.98 84.75 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.07 -0.514 . . . . 74.41 110.231 -174.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.81 -36.19 83.51 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 123.706 0.629 . . . . 70.43 111.212 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.32 -47.85 80.48 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.313 0.383 . . . . 72.44 110.512 175.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.609 HD11 ' HE3' ' A' ' 17' ' ' LYS . 45.4 mt -64.82 -35.21 80.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.003 0.815 . . . . 73.15 111.039 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 64.3 mttp -63.13 -48.06 80.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.747 0.819 . . . . 64.32 110.911 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -72.54 -28.3 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.148 0.579 . . . . 74.02 110.828 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.24 -46.04 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 109.594 -0.521 . . . . 61.05 109.594 170.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -68.22 -30.62 69.72 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.964 0.506 . . . . 63.3 111.252 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 51.7 mm-40 -65.55 -46.68 78.6 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 123.506 0.504 . . . . 64.1 110.042 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -62.28 -37.28 84.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.515 0.726 . . . . 72.34 112.298 176.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.721 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -73.4 -26.79 61.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.184 0.593 . . . . 72.54 111.522 176.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -69.71 -44.01 71.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.707 0.803 . . . . 75.23 110.153 173.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.2 mttm -67.45 -46.45 73.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.49 -0.777 . . . . 72.21 109.794 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.29 80.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.136 0.974 . . . . 63.2 110.695 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.31 -24.94 75.87 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.255 -0.884 . . . . 34.53 112.94 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.2 t -84.2 -30.09 26.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.563 0.745 . . . . 62.31 110.572 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 97.4 mt -79.24 -20.64 47.71 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.598 0.759 . . . . 61.41 110.711 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.53 -21.8 62.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.478 1.111 . . . . 70.1 111.996 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -40.71 110.82 0.17 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.291 1.436 . . . . 73.24 113.69 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -74.73 -25.42 59.1 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.13 -0.693 . . . . 71.54 109.13 169.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -137.46 129.58 29.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 107.311 -1.366 . . . . 75.11 107.311 165.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -70.61 127.97 34.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.249 -0.649 . . . . 75.22 109.249 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -108.61 153.81 22.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.932 0.893 . . . . 74.42 110.334 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.9 m80 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.812 0.845 . . . . 70.32 108.954 174.096 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 72.23 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 45' ' ' LEU . 68.3 mttm -138.67 159.78 41.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.615 1.166 . . . . 62.3 108.847 174.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB1' ' A' ' 124' ' ' ALA . 47.2 mm -96.89 109.88 23.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.421 -1.326 . . . . 71.24 107.421 168.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HB2' HG22 ' A' ' 78' ' ' VAL . 71.4 mt -113.17 109.0 18.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.611 -0.885 . . . . 74.31 108.611 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.5 mm -88.49 102.24 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.781 -1.563 . . . . 74.14 106.781 173.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.34 130.14 35.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.464 -1.68 . . . . 73.24 106.464 -176.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 55' ' ' LEU . 70.3 mt -137.67 130.55 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 123.082 0.553 . . . . 61.21 109.521 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -114.7 109.22 17.88 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.682 -0.859 . . . . 73.13 108.682 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -129.05 125.78 38.02 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 108.042 -1.096 . . . . 71.53 108.042 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 59' ' ' ASN . 10.4 t30 -77.97 -13.52 59.85 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.217 0.607 . . . . 51.11 110.406 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -93.77 119.95 33.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.786 . . . . 71.3 109.913 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.65 -30.19 67.12 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.782 1.233 . . . . 63.11 112.451 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -57.0 -51.38 69.46 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.002 0.814 . . . . 74.52 110.018 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.33 -31.84 70.54 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.7 -0.667 . . . . 74.01 112.207 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 HG21 ' A' ' 57' ' ' ILE . 61.1 mt -54.71 -55.21 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 118.183 0.447 . . . . 72.21 109.889 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.13 -31.26 61.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 115.78 -0.645 . . . . 74.35 112.337 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -65.1 -50.99 63.94 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.238 0.615 . . . . 74.13 110.721 176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.38 -40.47 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.956 0.903 . . . . 64.21 110.258 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' HG11 ' A' ' 29' ' ' VAL . 96.8 mttt -53.81 -41.9 67.8 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 123.515 0.51 . . . . 70.4 111.769 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -78.36 -42.13 31.35 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.329 0.652 . . . . 70.53 111.912 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 114' ' ' LEU . 19.5 mm-40 -48.94 -45.77 42.27 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.848 0.859 . . . . 64.44 111.176 171.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 55' ' ' LEU . 5.6 m -94.39 -14.2 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.455 -0.793 . . . . 54.05 112.088 -173.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.49 -42.29 98.55 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.723 0.809 . . . . 73.53 109.952 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.84 -21.88 66.01 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.02 -0.991 . . . . 64.25 111.064 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -100.92 10.11 41.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.778 0.831 . . . . 73.2 111.773 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.77 23.35 78.13 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 115.965 1.146 . . . . 61.53 115.965 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.34 109.15 20.08 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 117.976 0.888 . . . . 74.54 109.3 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.46 104.85 2.42 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.132 -0.692 . . . . 70.33 109.132 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.6 t -82.18 132.72 30.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.024 0.44 . . . . 70.22 110.865 -174.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB2' HD13 ' A' ' 56' ' ' ILE . 11.9 mmt85 -126.18 111.93 15.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.997 1.319 . . . . 75.14 107.794 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.22 134.43 51.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.567 0.747 . . . . 71.15 109.266 -175.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -132.86 128.46 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.155 0.982 . . . . 53.14 109.557 -169.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -134.91 19.35 3.49 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.865 0.866 . . . . 75.3 110.496 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -145.72 146.28 31.19 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.693 0.797 . . . . 53.02 110.069 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.9 p -62.14 -43.94 97.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.315 1.046 . . . . 71.51 113.426 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 34.9 m-20 -69.01 -32.89 72.75 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.038 0.135 . . . . 62.44 110.92 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.66 0.384 . . . . 74.02 110.911 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -42.37 90.04 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.942 0.897 . . . . 74.13 110.621 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 52.4 mtpt -65.96 -39.34 90.34 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.978 -1.01 . . . . 71.32 111.114 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 73.8 mmtt -63.09 -49.12 75.73 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.236 0.614 . . . . 73.13 111.259 -179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 mm-40 -70.29 -35.51 73.77 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.259 0.624 . . . . 64.3 110.608 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.458 ' HG3' HD13 ' A' ' 70' ' ' LEU . 9.2 mmt -64.54 -35.75 81.98 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.367 0.667 . . . . 65.12 111.254 174.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -62.02 -40.0 94.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 123.502 0.501 . . . . 71.1 110.516 174.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -70.34 -36.39 74.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.799 0.439 . . . . 75.43 110.981 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 78.5 mt -64.55 -39.6 94.06 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.109 0.563 . . . . 63.44 109.869 175.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.71 49.93 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.039 0.936 . . . . 45.33 112.252 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.82 -28.2 44.42 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.449 1.1 . . . . 61.34 111.619 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -125.03 60.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.874 -1.158 . . . . 63.33 107.874 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -82.0 72.47 9.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.832 0.825 . . . . 74.01 109.516 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -101.7 155.17 18.28 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.422 -1.325 . . . . 72.35 107.422 167.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.535 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 71.8 t80 -66.62 105.81 1.63 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.716 -0.846 . . . . 65.4 108.716 174.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.44 144.02 28.34 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.657 -0.701 . . . . 74.13 110.135 -164.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -102.62 99.15 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.953 0.882 . . . . 72.32 109.939 -175.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -112.5 141.04 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.479 1.111 . . . . 75.21 108.63 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 7' ' ' ILE . 9.3 tt -115.96 115.57 26.4 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 107.843 -1.169 . . . . 75.02 107.843 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 28.3 mm -97.33 120.57 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 108.728 -0.841 . . . . 75.24 108.728 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.481 HG21 HG23 ' A' ' 15' ' ' ILE . 75.1 mt -103.94 142.48 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.742 -0.836 . . . . 43.21 108.742 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 t -152.82 124.56 7.83 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.093 -1.077 . . . . 40.01 108.093 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 10' ' ' ASN . 33.8 p30 -82.29 -8.35 59.64 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.603 0.361 . . . . 72.13 110.536 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.25 116.25 31.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.517 1.127 . . . . 71.32 108.752 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -74.02 -21.64 59.89 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.638 0.607 . . . . 70.54 112.638 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 35.2 tt0 -65.96 -43.02 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 72.14 110.067 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.38 -33.63 74.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.041 -0.981 . . . . 65.44 110.696 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 5.3 tt -61.89 -40.89 96.97 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.245 -0.434 . . . . 71.1 110.741 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 53.8 mtpt -65.36 -49.39 69.54 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 71.41 110.473 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -54.98 -44.46 74.47 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.073 0.858 . . . . 64.01 110.802 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.512 ' HG2' HD21 ' A' ' 6' ' ' LEU . 42.8 tpp -56.15 -51.59 67.44 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.935 1.294 . . . . 71.31 110.118 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 68.8 mt -65.42 -36.27 83.43 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 71.34 111.94 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.07 -39.58 94.38 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.281 0.632 . . . . 72.42 110.792 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.458 HD13 ' HG3' ' A' ' 42' ' ' MET . 60.9 mt -70.2 -36.41 74.58 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.853 0.861 . . . . 73.31 111.264 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.748 HD13 HG21 ' A' ' 78' ' ' VAL . 83.0 mt -62.6 -43.12 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.028 0.931 . . . . 72.41 110.786 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -62.1 -27.45 68.93 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.518 0.727 . . . . 71.52 111.746 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.18 -40.94 62.19 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.641 -0.709 . . . . 72.51 111.182 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.03 -34.49 22.31 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.842 0.857 . . . . 73.23 112.521 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 83.7 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 123.457 0.551 . . . . 74.11 113.254 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -128.07 146.25 50.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.862 0.865 . . . . 75.04 110.449 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -76.15 95.68 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.297 0.639 . . . . 65.33 110.118 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 71' ' ' ILE . 89.8 t -106.34 127.08 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 124.014 0.926 . . . . 62.44 110.832 -175.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.3 m-85 -114.89 113.27 23.96 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.109 -1.441 . . . . 74.11 107.109 175.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 64' ' ' LEU . 37.7 tp -101.85 134.98 44.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.317 0.579 . . . . 52.21 111.254 -172.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -119.64 113.17 20.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.155 -1.054 . . . . 73.42 108.155 170.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 97' ' ' ILE . 94.9 mt -95.59 116.88 29.46 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.015 -1.106 . . . . 75.54 108.015 171.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -103.25 121.88 43.62 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.479 -0.934 . . . . 54.51 108.479 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 12.8 t70 -155.13 133.96 12.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.739 -1.208 . . . . 74.12 107.739 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -73.18 -18.64 61.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.251 0.62 . . . . 64.11 111.576 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.78 106.87 17.58 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.295 1.038 . . . . 74.22 108.466 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -22.16 66.17 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.372 0.878 . . . . 52.14 113.372 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.11 -60.49 2.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.642 0.377 . . . . 74.45 110.29 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.12 -26.52 62.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.348 0.659 . . . . 74.32 110.654 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 40.7 tp -60.87 -53.46 57.01 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.742 0.817 . . . . 74.4 111.031 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.89 -40.92 71.95 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.726 0.81 . . . . 75.33 111.053 -171.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 mt-10 -54.22 -44.39 71.63 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.562 0.745 . . . . 73.45 111.523 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -76.21 -35.23 59.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.297 0.639 . . . . 75.41 110.827 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.92 -51.14 69.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.154 1.382 . . . . 72.22 110.394 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.19 -29.36 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.981 0.912 . . . . 73.02 112.632 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 64.7 mttm -65.33 -48.56 72.63 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.252 0.621 . . . . 70.04 109.987 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.47 HD12 HD11 ' A' ' 82' ' ' LEU . 70.0 mt -72.53 -31.75 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 115.048 -0.978 . . . . 54.42 111.123 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.15 -30.46 69.6 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.053 -0.976 . . . . 74.14 109.828 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.9 t -79.43 -21.92 44.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.042 0.937 . . . . 73.41 111.279 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.04 -26.84 65.19 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.269 0.628 . . . . 75.12 110.865 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.49 37.08 1.5 Allowed Glycine 0 C--N 1.348 1.195 0 CA-C-N 116.134 -0.484 . . . . 72.14 112.154 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -116.32 137.44 52.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.415 0.686 . . . . 72.32 109.577 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.28 95.82 3.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.531 -0.914 . . . . 73.31 108.531 172.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.5 t -112.67 125.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.377 0.671 . . . . 74.44 109.842 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -105.91 156.42 18.38 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.411 0.684 . . . . 74.34 109.563 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -96.03 156.53 16.3 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.878 -1.056 . . . . 75.22 109.263 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -164.07 142.94 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.24 0.616 . . . . 74.31 110.723 170.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.3 p -111.72 -46.42 3.25 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.958 0.903 . . . . 71.1 110.105 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.35 149.82 31.59 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.306 0.642 . . . . 54.12 111.262 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.82 -38.35 62.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.44 0.696 . . . . 73.42 111.144 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.77 -39.07 80.4 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.06 0.457 . . . . 64.44 110.022 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.6 tt0 -67.47 -35.27 78.84 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.914 -1.039 . . . . 62.14 110.007 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.15 -52.54 63.99 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 123.997 0.811 . . . . 71.4 110.197 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.426 HD22 ' HG3' ' A' ' 21' ' ' GLU . 50.6 mt -59.83 -36.21 76.34 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 124.435 1.084 . . . . 74.01 110.961 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -78.31 -27.85 47.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.374 -0.83 . . . . 74.24 112.677 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -82.72 -28.47 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 109.576 -0.528 . . . . 53.14 109.576 174.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.1 t -60.82 -49.92 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 109.489 -0.56 . . . . 73.45 109.489 171.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.92 -18.69 62.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.584 -0.735 . . . . 71.15 111.383 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -68.33 -46.64 69.66 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.389 -0.597 . . . . 64.32 109.389 169.073 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 28.0 m-85 -63.31 -35.45 80.42 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.277 0.631 . . . . 71.14 112.149 175.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.536 ' SD ' HG12 ' A' ' 22' ' ' VAL . 57.2 mtm -71.34 -31.07 66.94 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.881 0.473 . . . . 74.31 111.542 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -64.7 -39.31 93.44 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.619 0.768 . . . . 75.43 110.086 173.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 62.1 mttm -66.6 -44.55 81.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.496 0.719 . . . . 74.05 110.029 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.551 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -67.91 -34.01 75.8 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.204 -1.362 . . . . 40.43 112.456 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.1 78.77 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 123.484 0.49 . . . . 73.42 113.549 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.1 m -65.82 -31.61 72.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.626 0.77 . . . . 72.12 110.822 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.2 mt -84.0 -34.29 24.37 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.749 -1.114 . . . . 63.1 111.184 -176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.535 ' HA ' ' HE2' ' A' ' 51' ' ' PHE . 54.8 mt-10 -59.25 -44.11 92.41 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.408 0.683 . . . . 62.53 110.712 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -71.68 101.92 2.66 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.765 -1.198 . . . . 73.41 107.765 169.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -66.38 84.08 0.1 Allowed 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.648 0.779 . . . . 73.41 111.7 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -174.82 113.03 0.15 Allowed 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.048 1.339 . . . . 73.41 107.592 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.93 99.18 0.47 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 107.47 -1.307 . . . . 70.44 107.47 168.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -61.94 -65.37 0.7 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.028 0.931 . . . . 65.34 111.802 -168.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 108.256 -1.016 . . . . 62.21 108.256 176.757 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.033 -0.728 . . . . 52.45 109.033 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -161.78 170.86 18.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.508 0.723 . . . . 64.21 110.057 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.483 HG21 ' HB1' ' A' ' 124' ' ' ALA . 65.1 mt -110.19 135.42 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 64.54 109.304 -177.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 76.8 mt -121.29 140.92 51.43 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.812 -0.81 . . . . 75.23 108.812 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mm -123.02 109.9 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 107.891 -1.151 . . . . 60.11 107.891 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -97.07 128.19 43.76 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.287 -1.375 . . . . 55.02 107.287 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.33 130.5 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-O 121.14 0.495 . . . . 64.45 109.881 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.9 114.87 18.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.729 1.212 . . . . 65.44 107.862 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -125.67 145.29 50.23 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.698 0.799 . . . . 74.11 109.381 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -81.6 -17.68 47.41 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 65.44 110.008 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' HB2' HD23 ' A' ' 14' ' ' LEU . 80.5 m-20 -102.57 117.04 33.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.051 0.94 . . . . 74.45 110.272 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.0 -25.49 63.68 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.576 1.15 . . . . 64.44 111.699 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.22 -51.41 58.41 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.208 1.003 . . . . 75.41 109.918 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -66.56 -27.84 68.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.58 -0.737 . . . . 72.52 112.474 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.517 HG23 HD13 ' A' ' 57' ' ' ILE . 64.6 mt -60.45 -51.64 70.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 118.201 0.455 . . . . 71.51 110.571 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 15.7 ptpt -75.59 -32.56 60.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.748 -0.66 . . . . 72.42 111.808 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -65.54 -46.4 79.68 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.471 0.708 . . . . 73.12 110.827 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.43 -35.48 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.969 0.908 . . . . 62.34 110.201 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -54.34 -42.52 70.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.924 0.329 . . . . 65.42 111.749 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 13.8 mmmm -73.36 -38.38 65.73 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.886 0.475 . . . . 70.03 110.854 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -56.16 -53.79 52.94 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.475 0.71 . . . . 64.55 111.651 172.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' SD ' ' A' ' 121' ' ' MET . 13.0 m -81.37 -11.44 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.059 -0.973 . . . . 64.24 111.697 -171.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.42 -43.67 71.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.567 1.147 . . . . 74.32 110.552 170.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -76.85 -25.2 52.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.812 -1.085 . . . . 75.23 111.189 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -98.74 -7.03 28.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.372 0.669 . . . . 72.44 112.263 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.23 43.93 77.81 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 114.783 0.673 . . . . 22.11 114.783 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.66 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 10.2 m-85 -103.44 102.76 12.69 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.808 -0.812 . . . . 75.23 108.808 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.76 116.5 8.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.794 0.838 . . . . 73.14 110.344 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.54 130.06 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.708 0.803 . . . . 72.02 111.446 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -119.37 120.26 36.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.442 1.097 . . . . 73.41 108.617 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.96 118.92 32.61 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.914 -0.772 . . . . 51.55 108.914 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.68 118.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.303 1.041 . . . . 72.44 108.524 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -129.76 5.17 5.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.919 1.288 . . . . 72.23 110.275 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.49 137.82 47.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.303 1.041 . . . . 75.35 108.474 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 p -64.87 -26.15 68.2 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.341 0.656 . . . . 74.41 111.92 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.587 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 14.2 m-20 -66.99 -43.92 81.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.552 0.341 . . . . 71.24 110.6 173.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.57 -35.34 80.65 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.9 0.75 . . . . 72.23 110.547 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 66' ' ' GLU . 4.4 tt -56.51 -52.15 65.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.839 0.856 . . . . 75.23 110.484 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 36' ' ' ASP . 51.9 mtmt -55.49 -57.72 10.75 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.0 0.813 . . . . 73.33 110.368 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.7 mmtp -49.46 -57.49 6.89 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 124.931 1.395 . . . . 65.41 111.858 -174.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.9 mm-40 -67.89 -35.5 78.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.646 -0.706 . . . . 64.03 111.284 -171.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 67' ' ' MET . 92.1 mmm -67.21 -35.21 79.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.374 0.421 . . . . 74.31 111.706 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.2 mmtt -65.82 -40.9 92.25 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.286 -0.635 . . . . 70.44 109.286 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.35 -36.83 85.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.096 0.958 . . . . 74.4 111.321 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD21 HG21 ' A' ' 54' ' ' ILE . 79.4 mt -64.96 -31.56 72.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.152 0.581 . . . . 75.01 111.236 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.7 -26.31 34.75 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.351 0.661 . . . . 71.32 111.247 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.97 -18.1 60.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.445 0.698 . . . . 63.31 111.532 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.18 116.37 27.7 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.56 -0.533 . . . . 72.22 109.56 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -3.15 36.66 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.011 0.524 . . . . 73.22 111.105 -174.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -66.17 147.75 52.86 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.492 0.717 . . . . 74.5 110.829 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.48 78.31 1.43 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.069 0.948 . . . . 75.43 109.369 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.84 141.38 48.48 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.499 0.72 . . . . 74.13 110.365 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 128' ' ' GLU . 29.1 mtmm -93.88 98.82 11.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.602 1.161 . . . . 70.41 109.544 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.514 HG21 HD21 ' A' ' 45' ' ' LEU . 50.6 mm -105.28 126.19 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.987 0.915 . . . . 62.11 109.318 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.58 127.9 48.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.691 -0.855 . . . . 73.3 108.691 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.9 mm -111.71 119.53 60.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 123.804 0.842 . . . . 72.25 108.966 175.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.517 HD13 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -95.47 128.86 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.868 -0.79 . . . . 73.34 108.868 171.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -140.61 122.89 15.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.737 -0.838 . . . . 60.33 108.737 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -80.03 -22.18 42.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.955 0.902 . . . . 53.42 111.269 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.47 117.37 30.76 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.488 -1.301 . . . . 74.42 107.488 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 34.9 pttt -70.79 -15.15 62.64 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.89 -0.595 . . . . 73.15 110.851 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.84 -55.64 21.4 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.53 0.732 . . . . 75.04 109.56 168.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.6 -27.31 67.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.264 -0.88 . . . . 64.4 111.019 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tt -62.08 -49.08 77.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.771 0.828 . . . . 70.04 110.03 173.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.26 -48.93 79.66 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.172 0.589 . . . . 65.52 111.404 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.6 mm-40 -56.8 -46.47 81.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.921 0.763 . . . . 72.01 110.196 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 42' ' ' MET . 40.6 tpp -55.03 -53.13 59.71 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.292 -1.322 . . . . 72.43 110.62 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.14 -42.81 99.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.979 0.912 . . . . 73.4 111.539 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.38 -32.96 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.007 0.523 . . . . 74.14 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.13 -42.64 79.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.79 0.436 . . . . 74.42 110.682 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 67' ' ' MET . 57.2 mt -66.29 -32.41 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 61.2 110.436 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.5 t -59.09 -40.5 85.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.714 0.806 . . . . 75.53 110.646 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -73.47 -28.14 61.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.151 -0.931 . . . . 74.43 111.058 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.51 -31.19 32.95 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.666 0.787 . . . . 45.21 111.573 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.15 61.23 4.06 Favored Glycine 0 C--N 1.348 1.225 0 C-N-CA 123.269 0.461 . . . . 75.12 113.423 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -121.27 149.4 42.95 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.309 0.644 . . . . 71.43 110.567 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -78.87 115.18 18.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.284 0.634 . . . . 61.55 110.298 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 43.4 t -107.35 135.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.707 0.803 . . . . 72.0 110.946 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.66 116.31 28.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.163 -1.421 . . . . 75.43 107.163 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 40.9 tp -110.61 129.16 55.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.296 1.038 . . . . 60.24 111.318 -172.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 37.3 tp -113.63 122.68 47.93 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.761 0.824 . . . . 63.42 109.728 172.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.87 117.84 34.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.982 0.913 . . . . 70.21 108.982 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -109.33 112.38 24.48 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.419 -0.586 . . . . 71.22 109.419 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.83 139.64 26.51 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.024 -0.732 . . . . 72.41 109.024 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -77.36 -20.49 54.71 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.777 0.831 . . . . 74.21 112.226 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.37 91.16 3.54 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.07 -0.715 . . . . 62.31 109.07 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 46.9 mt-10 -62.17 -11.05 12.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.166 0.986 . . . . 62.44 113.195 -176.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.31 -60.58 3.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.58 0.752 . . . . 65.45 110.597 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.17 -29.82 43.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.853 0.461 . . . . 52.02 110.579 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.654 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 26.9 tp -61.29 -36.1 79.15 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.943 0.897 . . . . 73.14 110.782 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.54 -48.23 80.4 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.032 0.533 . . . . 71.22 110.32 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.29 -50.41 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.082 -0.963 . . . . 71.04 110.992 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.8 -26.36 62.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.771 0.828 . . . . 70.33 111.171 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.77 -55.62 16.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.403 -0.591 . . . . 43.21 109.403 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -63.19 -27.83 69.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.714 0.806 . . . . 73.11 111.473 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.2 -58.41 7.8 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.552 1.141 . . . . 61.5 110.756 174.616 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.7 mt -81.52 -23.36 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 114.355 -1.293 . . . . 64.32 111.052 -173.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.26 -30.29 64.71 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 109.024 -0.732 . . . . 71.25 109.024 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.9 t -72.35 -29.68 64.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.426 0.691 . . . . 51.11 110.06 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -76.76 4.57 9.33 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.556 0.743 . . . . 64.42 111.468 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.85 22.61 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.024 0.345 . . . . 72.21 113.74 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 97' ' ' ILE . 74.6 m-85 -116.65 147.43 41.93 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.852 0.461 . . . . 75.43 110.985 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.62 93.02 2.99 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.654 -0.869 . . . . 73.12 108.654 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 t -112.03 116.92 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 109.642 -0.503 . . . . 55.12 109.642 -172.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -119.39 145.8 45.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.179 0.591 . . . . 61.05 109.768 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HB2' HD21 ' A' ' 90' ' ' LEU . 11.1 ptmm? -111.4 143.53 42.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.364 1.066 . . . . 71.14 110.37 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -147.13 153.77 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 123.533 0.733 . . . . 54.34 109.481 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -118.76 -31.69 4.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.885 0.874 . . . . 75.11 110.722 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.99 149.36 21.58 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.522 0.729 . . . . 72.14 111.553 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.06 -38.09 72.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.068 0.947 . . . . 70.45 111.637 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.42 -44.64 82.39 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.476 -0.784 . . . . 75.02 110.085 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.9 tt0 -75.48 -34.42 60.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.464 -0.789 . . . . 60.22 110.694 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.23 -47.67 68.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.46 0.704 . . . . 72.34 111.157 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 72.8 mt -58.92 -44.28 91.27 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.117 0.886 . . . . 73.53 110.344 176.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -67.62 -32.7 73.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.418 0.687 . . . . 73.33 112.267 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.4 mm -74.8 -32.86 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 109.698 -0.482 . . . . 61.01 109.698 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.55 -40.66 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.632 -0.507 . . . . 64.22 109.632 169.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 32.9 mtp180 -67.4 -30.24 69.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.44 0.696 . . . . 73.2 111.246 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.26 -49.8 70.46 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.588 -0.523 . . . . 60.24 109.588 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.436 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.8 m-30 -60.3 -40.78 91.75 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.244 -0.889 . . . . 73.44 111.664 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.736 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -72.58 -30.42 64.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.547 0.739 . . . . 73.15 111.887 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -66.25 -47.32 74.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.746 0.818 . . . . 75.2 111.146 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -80.44 -35.69 34.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.824 -1.08 . . . . 65.34 110.672 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.33 -32.86 72.23 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.866 -0.606 . . . . 64.5 109.465 169.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.25 -35.65 88.68 Favored Glycine 0 C--N 1.349 1.272 0 O-C-N 123.595 0.56 . . . . 74.43 112.276 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -65.99 -36.08 82.33 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.521 0.728 . . . . 72.22 110.789 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.95 -32.04 59.34 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.374 0.669 . . . . 75.31 109.392 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.431 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 19.2 tp10 -66.57 -31.06 71.52 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.245 -1.343 . . . . 63.53 110.71 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -62.11 138.17 58.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.677 -0.49 . . . . 72.32 109.677 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.16 87.02 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.571 0.748 . . . . 75.24 110.269 -174.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -83.45 139.16 33.12 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.569 -1.196 . . . . 74.43 109.997 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -86.86 53.71 2.92 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.337 1.055 . . . . 73.41 111.542 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -179.9 177.29 0.68 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.242 1.817 . . . . 73.22 107.679 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 108.797 -0.816 . . . . 73.44 108.797 173.402 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 109.276 -0.638 . . . . 71.44 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -149.17 90.4 1.74 Allowed 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.363 -0.977 . . . . 64.35 108.363 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.78 131.25 40.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.373 -0.973 . . . . 64.13 108.373 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HB2' HG22 ' A' ' 78' ' ' VAL . 20.3 mt -109.57 141.2 42.41 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.573 -1.194 . . . . 63.14 108.033 -177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.3 mm -111.78 104.86 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.063 -1.458 . . . . 71.33 107.063 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -90.82 132.24 36.0 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.638 -1.616 . . . . 60.14 106.638 -179.472 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.5 HD12 HD21 ' A' ' 55' ' ' LEU . 67.3 mt -136.28 137.44 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.446 -0.576 . . . . 63.23 109.446 -176.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 58' ' ' SER . 2.9 t-20 -132.34 115.29 15.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.101 0.96 . . . . 74.23 109.415 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 139.59 53.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.514 -0.921 . . . . 70.3 108.514 169.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.18 -17.48 56.75 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.034 0.533 . . . . 72.24 110.308 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -96.54 123.44 40.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.22 1.008 . . . . 63.24 111.014 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.5 m-20 -59.36 -30.92 68.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.99 1.316 . . . . 71.54 112.376 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.02 -55.67 31.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.264 1.026 . . . . 74.21 110.282 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.93 -24.86 66.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.152 0.581 . . . . 75.44 111.92 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 12' ' ' ASP . 70.1 mt -59.84 -58.7 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.639 -0.504 . . . . 73.25 109.639 174.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -29.22 66.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.072 0.549 . . . . 54.43 111.993 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.72 -55.92 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.509 0.724 . . . . 72.31 110.747 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.48 -33.21 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 124.182 0.926 . . . . 74.33 110.813 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.6 mttt -51.57 -44.62 62.81 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.475 0.484 . . . . 65.51 110.923 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -78.88 -44.43 22.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.509 0.723 . . . . 73.14 111.495 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -49.1 -51.45 31.68 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.536 0.735 . . . . 74.4 112.066 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG23 HG22 ' A' ' 29' ' ' VAL . 5.7 m -85.11 -19.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.165 -0.925 . . . . 61.35 111.688 -171.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.36 -46.68 83.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.288 1.035 . . . . 73.21 110.284 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -79.01 1.18 24.78 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.136 -0.938 . . . . 50.3 112.212 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.71 2.48 21.88 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.744 0.818 . . . . 70.05 111.566 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.84 15.92 69.12 Favored Glycine 0 N--CA 1.473 1.164 0 N-CA-C 114.912 0.725 . . . . 71.03 114.912 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -100.66 124.48 46.31 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.227 0.611 . . . . 74.44 109.778 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.72 107.43 6.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.101 0.961 . . . . 74.42 109.562 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 22' ' ' VAL . 3.5 t -78.83 132.23 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.519 0.727 . . . . 72.12 110.767 -172.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -127.9 149.76 50.17 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 107.554 -1.276 . . . . 72.13 107.554 166.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.14 141.9 51.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.774 -0.825 . . . . 75.43 108.774 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG12 HD13 ' A' ' 63' ' ' LEU . 55.5 t -121.95 114.8 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 62.22 108.093 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -111.78 -1.58 15.56 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.266 1.026 . . . . 72.2 111.003 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -150.41 155.69 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.7 0.286 . . . . 74.15 110.611 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 p -60.37 -28.67 68.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.334 1.054 . . . . 70.11 112.457 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 25.6 t70 -60.73 -52.04 66.8 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.513 0.508 . . . . 63.05 109.694 172.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -59.26 -37.3 77.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.435 1.085 . . . . 74.23 110.854 -177.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.7 tt -54.18 -57.43 11.18 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 114.507 -1.224 . . . . 64.33 110.344 173.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.04 -39.78 75.49 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.26 0.975 . . . . 70.53 111.594 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 29.2 mmmt -62.32 -43.72 98.16 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.955 0.784 . . . . 74.41 110.449 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 24.4 mm-40 -83.43 -21.27 32.99 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.881 0.697 . . . . 74.44 112.881 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.56 -36.02 80.15 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.893 -0.41 . . . . 65.34 109.893 170.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -57.47 -45.23 85.06 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.177 0.923 . . . . 72.42 110.068 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 38.7 mmtm -61.72 -38.76 89.09 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.829 0.705 . . . . 64.41 111.114 -175.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.39 -21.74 65.58 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.989 0.516 . . . . 75.32 112.02 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.24 -35.49 10.33 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.433 0.693 . . . . 55.4 111.409 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -81.99 -44.29 16.88 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.673 0.789 . . . . 63.24 111.12 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -71.21 97.17 1.49 Allowed 'General case' 0 C--N 1.348 0.512 0 N-CA-C 109.14 -0.689 . . . . 53.41 109.14 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -67.08 -12.89 61.2 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.562 -0.744 . . . . 60.41 110.543 174.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.94 139.82 26.47 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 125.124 1.37 . . . . 71.11 110.546 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -82.81 55.65 3.12 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.461 1.124 . . . . 74.13 108.724 173.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -89.85 121.89 32.4 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.607 -1.179 . . . . 72.41 109.677 -165.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -79.68 96.39 6.2 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 107.897 -1.149 . . . . 64.24 107.897 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -98.11 132.19 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 109.068 -0.716 . . . . 64.13 109.068 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 7' ' ' ILE . 9.1 tt -117.39 127.46 54.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.18 -1.044 . . . . 51.04 108.18 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 67' ' ' MET . 20.8 mm -111.73 128.73 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 109.275 -0.639 . . . . 74.11 109.275 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.93 127.51 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 107.772 -1.196 . . . . 63.04 107.772 169.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.2 t -131.81 135.62 46.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.152 -1.425 . . . . 61.52 107.152 174.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -88.09 -8.05 56.06 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.325 0.25 . . . . 74.21 110.789 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -112.36 125.04 53.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.924 0.89 . . . . 62.21 109.373 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.2 pttm -75.25 -27.37 59.45 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.277 0.631 . . . . 73.22 112.083 -174.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -67.82 -42.2 81.86 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 109.596 -0.52 . . . . 60.21 109.596 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 90.7 mt -61.35 -43.67 98.48 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.825 0.703 . . . . 62.53 109.658 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 80' ' ' LEU . 2.3 tt -54.69 -42.21 71.15 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.741 0.816 . . . . 73.23 112.003 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 51.7 mtpt -65.11 -54.86 23.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.084 0.554 . . . . 73.42 110.821 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -54.43 -41.63 69.58 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.967 0.792 . . . . 73.43 110.833 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 6' ' ' LEU . 36.4 ttm -57.61 -51.84 67.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.431 1.492 . . . . 64.31 111.314 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.16 -22.31 61.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.574 0.75 . . . . 73.4 111.795 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 11.9 mm-40 -64.24 -52.06 60.61 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.895 -0.78 . . . . 73.24 108.895 170.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.28 -37.56 87.93 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.223 -1.353 . . . . 63.13 111.785 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.668 HG21 HG21 ' A' ' 78' ' ' VAL . 85.0 mt -70.76 -35.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.425 0.69 . . . . 74.31 110.85 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -65.49 -32.47 74.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.716 0.406 . . . . 64.41 110.602 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -71.5 -32.18 67.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.052 0.541 . . . . 75.32 110.582 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.19 -34.66 66.1 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.603 0.761 . . . . 60.1 110.419 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.44 83.12 0.43 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.384 -0.825 . . . . 62.04 112.195 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.5 148.15 50.49 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.882 0.873 . . . . 72.33 110.26 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -82.1 100.28 9.69 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.491 -1.3 . . . . 75.0 107.491 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 71' ' ' ILE . 57.8 t -110.95 134.28 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.752 0.821 . . . . 54.14 110.747 -176.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -100.41 127.79 46.65 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.682 -1.229 . . . . 64.45 107.682 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 64' ' ' LEU . 39.5 tp -115.0 132.37 56.62 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.309 0.644 . . . . 75.22 111.413 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 20.9 tp -113.78 126.09 54.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.071 0.548 . . . . 73.31 109.829 169.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 90' ' ' LEU . 95.6 mt -112.06 115.0 28.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.838 0.855 . . . . 74.14 109.552 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.8 112.42 25.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.856 0.862 . . . . 75.22 108.993 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -154.8 137.39 15.15 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.104 -1.073 . . . . 74.31 108.104 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -74.71 -14.6 60.75 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.46 0.704 . . . . 70.52 112.811 -172.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -106.16 83.58 1.92 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.061 -0.718 . . . . 55.5 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 40.2 mt-10 -62.01 -22.79 65.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.731 1.212 . . . . 72.4 113.408 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -62.66 -58.1 8.68 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.189 0.596 . . . . 70.44 110.598 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.36 -29.2 62.48 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.016 0.526 . . . . 61.04 110.596 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 57.6 tp -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.407 1.083 . . . . 74.42 111.668 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.36 -38.5 65.68 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.195 0.598 . . . . 73.04 110.362 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.95 -32.45 71.98 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.01 0.819 . . . . 65.0 111.216 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -80.6 -35.67 33.84 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.758 0.823 . . . . 74.41 110.455 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 28.2 ttpp -62.18 -51.29 68.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.867 0.867 . . . . 73.34 111.08 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -60.37 -23.98 64.72 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.285 0.991 . . . . 71.23 112.911 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -63.39 -56.3 17.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.625 0.77 . . . . 74.03 110.063 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.6 mt -78.39 -27.99 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 114.321 -1.309 . . . . 65.34 110.734 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.75 -33.59 72.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.335 1.054 . . . . 73.02 109.621 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 -20.99 57.62 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.762 0.825 . . . . 75.42 110.578 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.14 4.94 15.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.307 0.643 . . . . 64.23 111.338 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.71 40.72 7.57 Favored Glycine 0 C--N 1.35 1.353 0 C-N-CA 122.81 0.243 . . . . 75.03 112.774 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -120.95 134.85 55.31 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.484 0.714 . . . . 75.14 109.393 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.51 93.78 3.6 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.501 -0.925 . . . . 71.42 108.501 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 80' ' ' LEU . 15.3 t -108.51 131.43 59.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.549 -0.75 . . . . 73.31 109.296 -174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -121.41 159.55 25.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.32 0.648 . . . . 75.25 110.29 172.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 48.9 mtpt -96.74 154.9 17.02 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.681 -1.145 . . . . 71.1 109.554 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -160.28 151.43 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.585 -0.734 . . . . 73.21 109.977 168.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.7 p -120.32 -39.98 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.431 1.093 . . . . 62.33 110.141 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.11 157.2 18.4 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.916 0.886 . . . . 71.03 111.933 -169.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.54 -50.18 40.23 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.867 1.267 . . . . 73.41 111.735 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 5.9 pt-20 -62.08 -43.13 99.5 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 124.254 0.971 . . . . 75.01 109.362 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 111' ' ' GLU . 8.9 tp10 -69.18 -35.57 76.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 114.475 -1.239 . . . . 74.23 110.512 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.81 -50.61 71.85 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.512 0.725 . . . . 33.42 110.686 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.78 -40.55 95.57 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.965 0.791 . . . . 62.42 110.26 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.26 -45.05 74.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.941 0.896 . . . . 72.42 112.552 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.28 -32.05 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.589 0.356 . . . . 41.52 110.533 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 113' ' ' ALA . 65.1 t -61.36 -45.83 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 109.536 -0.542 . . . . 73.53 109.536 172.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -67.62 -22.44 65.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.349 0.66 . . . . 72.21 111.499 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.73 -48.98 57.49 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.953 0.501 . . . . 62.11 109.893 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.5 m-85 -58.85 -43.15 90.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.92 0.888 . . . . 73.42 111.785 176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.413 ' HE2' HG12 ' A' ' 117' ' ' VAL . 71.5 mtm -73.57 -27.04 61.11 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.629 0.772 . . . . 71.04 111.809 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -68.54 -43.83 75.83 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.24 0.616 . . . . 74.24 110.262 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.75 -46.0 73.36 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.428 -0.805 . . . . 74.23 109.524 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.81 74.64 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.141 -0.936 . . . . 53.0 110.761 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.14 99.06 Favored Glycine 0 C--N 1.349 1.298 0 O-C-N 123.734 0.646 . . . . 71.54 112.583 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -67.07 -32.47 73.67 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.066 0.546 . . . . 62.43 111.33 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 70.7 mt -79.71 -50.8 10.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.715 0.806 . . . . 73.4 110.204 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -75.78 -49.65 17.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.694 0.798 . . . . 71.4 111.914 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -74.28 89.74 2.07 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.383 -1.339 . . . . 75.33 107.383 172.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -67.11 87.16 0.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.435 1.094 . . . . 71.21 109.697 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -76.3 97.81 4.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.151 -0.931 . . . . 75.03 108.579 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -52.49 133.6 35.41 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.26 -1.336 . . . . 72.41 112.379 -171.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -143.49 77.58 1.56 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.569 1.176 . . . . 63.24 110.22 176.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 106.008 -1.849 . . . . 62.53 106.008 167.697 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.259 -1.385 . . . . 55.32 107.259 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.47 126.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 123.351 0.66 . . . . 72.140000000000001 109.376 -167.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 mt -110.57 106.86 16.28 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.346 -1.353 . . . . 73.099999999999994 107.346 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.8 103.74 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.59 -1.263 . . . . 73.430000000000007 107.59 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.01 124.65 34.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.752 -1.203 . . . . 75.519999999999996 107.752 -172.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 55' ' ' LEU . 64.7 mt -132.19 121.54 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.33 0.652 . . . . 74.310000000000002 109.387 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.415 ' HB3' HD23 ' A' ' 82' ' ' LEU . 23.8 t-20 -109.0 117.3 33.85 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 107.585 -1.265 . . . . 62.310000000000002 107.585 170.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.2 t -124.01 147.56 47.7 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.391 0.677 . . . . 72.209999999999994 109.328 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -83.32 -17.15 43.43 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.189 0.595 . . . . 71.409999999999997 110.906 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.598 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.7 m120 -109.11 134.6 51.49 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.825 0.45 . . . . 70.540000000000006 111.176 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.22 -24.91 64.98 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.094 0.958 . . . . 65.219999999999999 110.975 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.589 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 22.9 mt-10 -57.32 -48.11 79.82 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.885 0.874 . . . . 73.109999999999999 110.016 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.4 mm? -61.41 -37.5 83.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.544 -0.753 . . . . 73.409999999999997 111.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG22 ' HE2' ' A' ' 19' ' ' LYS . 54.8 mt -56.24 -51.68 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 123.665 0.603 . . . . 73.340000000000003 110.543 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 63.1 pttt -73.11 -33.87 65.82 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.671 -0.695 . . . . 75.299999999999997 111.995 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 50.3 mtpt -66.45 -41.23 89.4 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 110.29 -0.263 . . . . 75.549999999999997 110.29 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -39.01 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.012 0.925 . . . . 75.310000000000002 110.326 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 61.6 mttm -54.9 -36.09 64.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.945 0.498 . . . . 52.229999999999997 111.204 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.6 -42.71 24.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.156 0.583 . . . . 75.5 110.659 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.78 -33.4 61.33 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.914 0.886 . . . . 63.240000000000002 112.812 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.0 m -107.66 -1.73 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.114 0.566 . . . . 73.219999999999999 111.887 -173.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.8 -42.26 97.73 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.162 0.985 . . . . 54.039999999999999 110.553 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.44 -2.25 58.28 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.271 -0.877 . . . . 62.130000000000003 111.469 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 31.5 mm-40 -102.66 -10.65 19.04 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.262 0.625 . . . . 71.319999999999993 111.987 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.77 62.07 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 114.508 0.563 . . . . 52.310000000000002 114.508 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -106.25 111.28 23.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.295 0.638 . . . . 75.310000000000002 109.453 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.16 107.79 7.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.947 0.899 . . . . 74.239999999999995 110.673 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.87 135.54 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.661 0.784 . . . . 64.510000000000005 109.945 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 56' ' ' ILE . 17.5 mmm180 -124.5 112.08 16.45 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.08 1.352 . . . . 70.010000000000005 107.748 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -94.73 116.98 29.4 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.384 -0.969 . . . . 75.120000000000005 108.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG12 HD13 ' A' ' 63' ' ' LEU . 30.0 t -115.55 114.05 45.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 108.309 -0.997 . . . . 42.439999999999998 108.309 -176.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.5 14.83 4.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.634 0.774 . . . . 74.319999999999993 110.819 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.39 142.54 27.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.267 0.627 . . . . 72.099999999999994 109.495 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.4 p -60.9 -36.62 79.73 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.517 1.127 . . . . 63.329999999999998 113.564 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.28 -45.29 92.1 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.43 0.456 . . . . 62.439999999999998 110.166 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 17.4 mm-40 -60.92 -40.49 93.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.225 0.953 . . . . 71.439999999999998 110.416 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.62 -58.58 6.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.414 1.086 . . . . 64.340000000000003 110.653 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.32 -23.12 65.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.998 0.919 . . . . 73.329999999999998 112.697 -172.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.08 -60.56 2.32 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.065 0.546 . . . . 73.409999999999997 110.451 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 8.3 pt-20 -77.51 -28.77 52.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.545 0.572 . . . . 73.209999999999994 112.545 -166.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' SD ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -69.5 -37.34 77.15 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 120.785 0.326 . . . . 74.340000000000003 110.319 -178.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -60.71 -33.11 72.39 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 115.923 -0.581 . . . . 63.43 110.15 172.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.4 -31.91 70.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.031 0.533 . . . . 73.239999999999995 110.931 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.51 -27.69 68.65 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 110.311 -0.255 . . . . 71.239999999999995 110.311 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 123.227 0.611 . . . . 70.109999999999999 111.493 176.763 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--O 1.241 0.647 0 N-CA-C 108.657 -0.868 . . . . 71.439999999999998 108.657 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 mm -117.08 147.38 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.535 0.683 . . . . 64.030000000000001 109.469 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -127.52 122.72 34.09 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 106.314 -1.735 . . . . 70.129999999999995 106.314 174.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 6' ' ' LEU . 27.4 mm -104.66 111.0 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.933 -0.765 . . . . 55.43 108.933 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.4 mt -94.1 124.21 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.777 -1.194 . . . . 71.519999999999996 107.777 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -139.03 116.66 11.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.061 -1.459 . . . . 70.329999999999998 107.061 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 15' ' ' ILE . 2.2 m-20 -87.24 -0.99 57.57 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.704 0.802 . . . . 72.400000000000006 110.547 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.24 109.52 21.54 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.223 -1.399 . . . . 34.030000000000001 107.223 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.79 -25.25 65.5 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.011 0.925 . . . . 72.230000000000004 111.941 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 56.5 tp60 -66.34 -44.56 82.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.7 0.4 . . . . 71.140000000000001 110.023 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -68.31 -30.82 69.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.152 0.581 . . . . 64.340000000000003 110.743 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 9.4 tt -63.88 -46.61 84.12 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.03 0.532 . . . . 72.530000000000001 110.045 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 53.0 mtpt -55.09 -54.2 46.19 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.876 0.735 . . . . 75.209999999999994 110.103 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.99 -43.88 86.82 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.796 1.31 . . . . 73.200000000000003 110.427 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 6' ' ' LEU . 59.3 tpp -56.08 -52.27 64.88 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.752 1.282 . . . . 32.130000000000003 110.436 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 71' ' ' ILE . 78.0 mt -67.77 -31.57 71.55 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.187 0.595 . . . . 74.349999999999994 112.312 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 23.2 mm-40 -64.75 -48.15 75.6 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.251 -0.648 . . . . 70.439999999999998 109.251 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HB3' ' SD ' ' A' ' 42' ' ' MET . 20.3 mt -56.43 -44.69 80.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.379 1.072 . . . . 73.239999999999995 110.552 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.649 HD12 HD23 ' A' ' 68' ' ' LEU . 86.8 mt -64.85 -40.09 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.724 0.81 . . . . 64.239999999999995 110.651 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -65.46 -33.94 77.11 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.802 0.689 . . . . 74.0 111.057 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 60.5 mmtt -70.83 -26.72 63.42 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.348 0.405 . . . . 71.129999999999995 110.433 177.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.6 mt -93.63 -20.77 19.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.162 0.985 . . . . 61.450000000000003 111.151 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.9 43.55 97.37 Favored Glycine 0 C--N 1.348 1.235 0 O-C-N 123.723 0.639 . . . . 50.109999999999999 114.066 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.589 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.1 m-30 -86.99 146.26 26.2 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 117.161 0.48 . . . . 72.230000000000004 110.192 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.53 126.29 30.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.914 -0.402 . . . . 74.420000000000002 109.914 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 71' ' ' ILE . 93.9 t -121.43 138.27 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.87 0.868 . . . . 63.310000000000002 110.551 -177.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.36 114.73 22.27 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 106.717 -1.586 . . . . 75.530000000000001 106.717 166.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 66.6 tp -104.74 129.5 52.96 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.108 0.963 . . . . 71.430000000000007 112.06 -170.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 HG21 ' A' ' 116' ' ' ILE . 52.6 tp -118.82 112.97 20.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.375 1.07 . . . . 74.129999999999995 108.8 172.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.6 mt -99.6 130.37 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.452 0.701 . . . . 74.219999999999999 109.819 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 51.3 tt0 -131.0 104.33 7.06 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.263 -1.014 . . . . 43.450000000000003 108.263 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 10.3 t70 -137.17 140.9 42.13 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.439 -1.319 . . . . 72.530000000000001 107.439 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.61 -42.89 70.36 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.4 0.437 . . . . 75.540000000000006 110.547 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.57 114.67 25.43 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.582 -0.896 . . . . 72.140000000000001 108.582 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.678 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.2 mt-10 -79.5 -6.59 57.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.137 0.791 . . . . 70.049999999999997 113.137 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -74.87 -25.74 59.18 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.755 -0.832 . . . . 75.319999999999993 108.755 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.78 -56.94 3.43 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.663 0.785 . . . . 61.509999999999998 109.522 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.678 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 31.8 tp -52.32 -52.82 50.97 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.88 1.272 . . . . 64.219999999999999 112.889 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -70.35 -47.78 59.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.363 0.665 . . . . 65.450000000000003 111.277 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 40.3 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.127 0.571 . . . . 73.349999999999994 111.534 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 31.4 t80 -67.32 -40.98 86.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.879 0.872 . . . . 73.439999999999998 110.013 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 106' ' ' LYS . 28.0 tttm -57.13 -54.46 46.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.02 1.328 . . . . 72.329999999999998 111.298 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 11.2 ptm180 -71.17 -22.19 62.07 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.298 0.999 . . . . 72.120000000000005 111.73 -167.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 97.0 mttt -61.97 -46.51 88.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.477 0.656 . . . . 75.430000000000007 110.383 171.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.8 mt -83.7 -28.03 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.943 1.297 . . . . 74.430000000000007 110.741 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 41.5 tt0 -74.82 -33.74 62.23 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 64.150000000000006 109.784 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -65.47 -20.49 66.37 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.219 0.608 . . . . 73.430000000000007 110.935 174.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -87.83 1.68 53.34 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.002 0.921 . . . . 71.439999999999998 111.267 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.72 6.32 83.05 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-O 119.45 -0.639 . . . . 60.229999999999997 114.349 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.31 143.71 50.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 117.104 0.452 . . . . 73.439999999999998 109.952 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.56 94.82 0.79 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.764 -0.828 . . . . 71.230000000000004 108.764 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.5 t -111.17 125.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.104 0.562 . . . . 73.010000000000005 109.549 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -119.49 143.58 47.47 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.835 0.854 . . . . 60.039999999999999 109.497 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 50.8 mtmt -96.52 153.26 17.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.754 -0.832 . . . . 74.040000000000006 108.754 170.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.52 148.28 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.675 0.609 . . . . 74.25 110.203 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 p -129.3 -11.66 4.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.502 1.121 . . . . 65.319999999999993 110.18 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 112' ' ' GLU . 19.9 m-20 -89.92 134.79 34.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.751 0.82 . . . . 54.439999999999998 109.468 174.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 6.2 p-10 -73.4 -40.98 63.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.628 0.371 . . . . 74.439999999999998 111.46 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 39.7 mt-10 -72.83 -41.0 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.365 0.666 . . . . 62.119999999999997 109.794 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . 13.7 tp10 -65.35 -38.14 89.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.992 0.807 . . . . 74.319999999999993 110.565 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.77 -47.65 67.36 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.633 0.773 . . . . 72.030000000000001 110.826 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.48 HD11 ' HE2' ' A' ' 17' ' ' LYS . 67.0 mt -60.59 -34.42 74.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 124.429 1.081 . . . . 71.5 111.265 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 10.7 mmpt? -76.04 -35.33 59.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 110.689 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 81' ' ' LEU . 24.2 mm -65.06 -35.72 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.071 0.549 . . . . 63.310000000000002 109.691 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 113' ' ' ALA . 44.8 t -62.72 -37.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 115.799 -0.637 . . . . 45.210000000000001 109.946 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -65.44 -35.12 79.98 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.091 0.556 . . . . 74.329999999999998 111.464 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.98 -53.99 52.13 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.278 -0.638 . . . . 65.319999999999993 109.278 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.4 m-30 -56.4 -44.88 80.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 114.55 -1.205 . . . . 74.209999999999994 112.507 -175.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.761 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.2 mtm -69.37 -36.11 76.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.45 0.7 . . . . 73.219999999999999 112.457 -178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.41 -35.18 58.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.852 0.461 . . . . 75.25 111.093 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.13 -40.46 52.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.502 0.721 . . . . 73.329999999999998 109.991 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.18 76.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.612 0.765 . . . . 74.340000000000003 110.313 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.157 0 CA-C-N 115.825 -0.625 . . . . 61.100000000000001 112.401 176.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.391 -0.596 . . . . 53.310000000000002 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -98.46 114.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.936 -1.135 . . . . 64.530000000000001 107.936 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' ' 78' ' ' VAL . 52.8 mt -113.88 111.07 21.12 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.73 -0.47 . . . . 63.119999999999997 109.73 -169.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.2 mm -83.76 102.09 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 106.799 -1.556 . . . . 72.430000000000007 106.799 171.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.44 127.04 35.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.769 -1.567 . . . . 65.439999999999998 106.769 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.454 HD12 HD21 ' A' ' 55' ' ' LEU . 86.8 mt -133.54 117.75 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.243 -1.021 . . . . 75.129999999999995 108.243 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.699 ' HB2' HD13 ' A' ' 64' ' ' LEU . 4.4 t30 -106.72 109.46 21.37 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 108.037 -1.097 . . . . 45.530000000000001 108.037 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 15' ' ' ILE . 2.1 t -128.83 130.46 46.97 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.578 -0.897 . . . . 53.149999999999999 108.578 169.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -87.65 -12.29 45.93 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.358 -0.608 . . . . 71.120000000000005 109.358 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.61 117.36 29.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.3 1.04 . . . . 71.109999999999999 109.874 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.36 -34.29 73.65 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.517 1.127 . . . . 62.439999999999998 112.17 -176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -58.12 -49.89 75.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.813 0.845 . . . . 74.209999999999994 110.03 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.2 mm? -71.96 -27.34 62.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.822 -0.626 . . . . 74.349999999999994 111.808 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 66.1 mt -58.54 -61.8 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.056 -0.72 . . . . 70.140000000000001 109.056 172.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 21.9 ptmt -63.11 -34.64 78.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.954 0.724 . . . . 72.319999999999993 112.954 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.69 -52.19 53.44 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.294 0.638 . . . . 51.229999999999997 111.237 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' A' ' 113' ' ' ALA . 78.0 mt -61.54 -34.96 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 115.533 -0.758 . . . . 71.310000000000002 110.751 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 49.3 mtmt -60.7 -37.33 81.32 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.491 0.316 . . . . 63.149999999999999 111.276 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -71.55 -44.09 65.19 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.763 0.425 . . . . 61.119999999999997 110.776 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -48.65 -45.2 38.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.588 0.755 . . . . 73.439999999999998 112.36 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.643 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 8.1 m -90.36 -18.03 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 115.406 -0.815 . . . . 72.400000000000006 112.356 -174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.72 -46.94 85.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.798 0.839 . . . . 75.530000000000001 110.546 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.09 -11.51 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.149 -0.932 . . . . 73.099999999999994 111.762 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -99.77 5.51 45.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.565 0.746 . . . . 62.140000000000001 110.819 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.91 33.07 78.67 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.168 0.827 . . . . 71.310000000000002 115.168 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.643 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 24.7 m-85 -94.93 114.02 25.81 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.357 0.663 . . . . 75.239999999999995 109.765 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -68.95 107.34 3.07 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.928 -1.033 . . . . 72.230000000000004 109.013 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.17 117.27 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.571 -0.741 . . . . 72.140000000000001 109.91 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' HD13 ' A' ' 56' ' ' ILE . 25.8 mmm180 -116.69 109.14 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.523 -1.658 . . . . 72.310000000000002 106.523 173.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.21 141.96 33.34 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.25 -0.648 . . . . 73.109999999999999 109.25 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 63' ' ' LEU . 67.4 t -128.84 115.93 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.121 0.969 . . . . 64.040000000000006 108.647 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -118.57 -1.47 11.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.959 0.903 . . . . 74.439999999999998 110.357 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.87 149.19 36.56 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.501 0.721 . . . . 60.43 109.751 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -59.95 -34.69 73.6 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.924 0.89 . . . . 75.439999999999998 112.791 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.7 t70 -63.94 -44.74 91.93 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.278 -0.391 . . . . 73.349999999999994 110.519 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.93 -37.45 79.53 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 124.039 0.837 . . . . 73.439999999999998 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.1 tt -58.55 -51.87 68.04 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.447 -1.251 . . . . 74.450000000000003 110.861 174.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.57 -24.57 63.71 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.437 0.695 . . . . 71.409999999999997 111.786 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 32.4 mmmt -65.21 -45.87 83.0 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 108.462 -0.94 . . . . 73.510000000000005 108.462 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 44.0 mm-40 -72.1 -30.71 65.35 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 115.513 -0.767 . . . . 64.109999999999999 112.876 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.497 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.9 mmt -61.18 -35.99 78.63 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 118.62 0.645 . . . . 62.340000000000003 110.687 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -62.12 -51.8 66.46 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.978 -1.01 . . . . 72.010000000000005 110.25 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -62.33 -33.61 75.03 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.692 1.197 . . . . 62.439999999999998 112.612 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 81.0 mt -67.15 -48.64 67.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.129 0.572 . . . . 42.399999999999999 110.422 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.902 0 CA-C-N 115.578 -0.737 . . . . 72.430000000000007 111.802 -178.12 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 27' ' ' TYR . 12.9 mptt . . . . . 0 C--O 1.24 0.577 0 N-CA-C 109.034 -0.728 . . . . 73.109999999999999 109.034 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.69 115.29 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.372 -0.973 . . . . 63.299999999999997 108.372 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 7' ' ' ILE . 6.5 tt -108.08 121.95 45.87 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.382 -1.34 . . . . 73.420000000000002 107.382 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.0 mm -105.11 111.43 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.55 -0.907 . . . . 75.540000000000006 108.55 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.0 mt -88.22 139.13 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.593 -0.891 . . . . 73.409999999999997 108.593 169.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 34.9 t -133.14 131.9 41.0 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.599 -1.26 . . . . 74.219999999999999 107.599 171.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -86.04 -27.6 24.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.253 0.549 . . . . 74.219999999999999 110.19 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.58 130.98 55.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.289 1.036 . . . . 70.329999999999998 110.067 -173.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -75.05 -19.72 59.88 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.568 0.747 . . . . 72.019999999999996 112.621 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 55.4 tp60 -77.18 -37.35 53.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.139 -0.689 . . . . 71.219999999999999 109.139 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 32' ' ' VAL . 56.4 mt -62.01 -38.81 90.06 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 109.5 -0.555 . . . . 55.039999999999999 109.5 171.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 8' ' ' ASN . 3.4 tp -58.96 -43.38 91.29 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.165 -0.47 . . . . 72.129999999999995 111.182 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -57.19 -57.5 12.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.865 0.466 . . . . 72.439999999999998 110.627 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 38' ' ' LEU . 4.7 mm-40 -55.28 -45.14 76.18 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 124.186 0.929 . . . . 65.409999999999997 109.808 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.473 ' O ' HG13 ' A' ' 71' ' ' ILE . 37.2 tpp -51.3 -63.91 0.98 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.14 1.376 . . . . 55.210000000000001 110.573 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.23 -32.09 72.89 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.468 1.107 . . . . 54.409999999999997 112.927 -170.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.81 -34.16 57.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.769 0.428 . . . . 73.420000000000002 110.105 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.497 HD13 ' HG3' ' A' ' 42' ' ' MET . 59.1 mt -72.97 -28.76 62.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.125 0.57 . . . . 71.040000000000006 110.675 171.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 67' ' ' MET . 84.1 mt -77.89 -24.91 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.102 0.561 . . . . 73.019999999999996 110.318 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.9 t -63.14 -43.6 97.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.357 0.663 . . . . 75.109999999999999 110.693 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -19.29 59.14 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.356 -0.384 . . . . 65.219999999999999 111.336 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 71' ' ' ILE . 76.6 mt -78.52 -28.73 46.27 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.459 0.704 . . . . 72.25 110.669 172.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.83 58.84 7.72 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 123.483 0.563 . . . . 62.149999999999999 113.817 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.493 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 21.7 m-85 -107.25 161.23 14.97 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.178 0.591 . . . . 73.329999999999998 111.902 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -89.6 96.24 10.61 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.006 -0.997 . . . . 73.120000000000005 108.654 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 4' ' ' LEU . 67.1 t -105.37 127.74 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.572 0.749 . . . . 75.439999999999998 111.27 -174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.26 113.77 27.53 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 107.163 -1.421 . . . . 71.150000000000006 107.163 171.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 6' ' ' LEU . 42.2 tp -104.22 136.43 43.84 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.138 0.575 . . . . 44.299999999999997 111.594 -173.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -118.37 113.26 21.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.52 1.128 . . . . 72.129999999999995 108.597 170.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 97' ' ' ILE . 39.5 mt -98.31 119.99 37.94 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.383 0.673 . . . . 73.530000000000001 110.698 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -114.84 136.71 52.79 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.217 1.007 . . . . 61.039999999999999 108.655 171.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 90' ' ' LEU . 3.1 t70 -142.11 178.45 7.54 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.193 -1.04 . . . . 73.329999999999998 108.193 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -96.48 -37.31 10.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.609 0.764 . . . . 75.200000000000003 109.508 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -109.38 135.02 51.11 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.863 0.865 . . . . 74.329999999999998 110.673 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.99 -36.07 69.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.106 0.963 . . . . 70.030000000000001 111.822 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 5.8 m-20 -59.79 -51.8 68.2 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.787 0.68 . . . . 51.310000000000002 110.913 -173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.83 -32.49 52.21 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.808 0.693 . . . . 72.400000000000006 110.982 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 84' ' ' ASP . 26.1 tp -56.47 -48.12 77.77 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.568 0.747 . . . . 72.140000000000001 110.414 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 13.4 tp10 -67.98 -51.91 41.96 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.151 0.98 . . . . 72.140000000000001 110.471 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 3.3 tm-20 -47.51 -45.3 26.39 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.976 1.71 . . . . 65.010000000000005 111.151 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.74 -35.67 44.36 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.888 -1.505 . . . . 75.209999999999994 112.026 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.37 -40.41 97.18 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.06 0.944 . . . . 74.120000000000005 111.04 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 74.2 mtp180 -60.26 -34.36 73.6 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.239 1.016 . . . . 73.209999999999994 111.494 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.63 -47.77 74.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.086 0.955 . . . . 75.219999999999999 110.814 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 82' ' ' LEU . 49.5 mt -76.58 -30.77 19.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 114.868 -1.06 . . . . 52.130000000000003 111.007 -174.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.43 -35.26 80.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.61 -0.723 . . . . 73.430000000000007 109.962 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -71.69 -20.89 61.86 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.588 0.755 . . . . 73.329999999999998 111.118 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.91 -6.28 50.12 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.395 0.678 . . . . 75.209999999999994 111.23 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.27 5.05 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.919 0.295 . . . . 70.420000000000002 112.402 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -119.58 141.26 49.42 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.465 0.706 . . . . 75.420000000000002 109.388 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.65 91.26 1.86 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.733 -1.21 . . . . 74.439999999999998 107.733 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.85 123.54 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.313 -0.625 . . . . 50.439999999999998 109.313 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -117.5 148.98 41.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 71.409999999999997 108.866 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HE3' ' HG ' ' A' ' 90' ' ' LEU . 51.6 mtpt -97.0 157.34 15.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.701 0.8 . . . . 72.530000000000001 110.105 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -159.79 144.68 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.618 0.767 . . . . 63.439999999999998 110.358 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.5 p -137.56 -12.09 1.57 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.684 0.794 . . . . 73.019999999999996 110.89 166.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -93.42 144.29 25.48 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.302 0.573 . . . . 70.150000000000006 112.245 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.61 ' HA ' HD11 ' A' ' 14' ' ' LEU . 19.6 t70 -58.69 -58.07 10.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.178 1.391 . . . . 70.439999999999998 113.059 -175.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.99 -36.14 83.44 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.531 0.732 . . . . 43.420000000000002 111.344 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.6 tt0 -62.74 -42.85 99.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.541 1.136 . . . . 73.310000000000002 110.821 -174.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 18' ' ' ILE . . . -53.79 -44.81 70.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.752 0.821 . . . . 74.439999999999998 111.425 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 25.3 mt -62.1 -46.96 86.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.275 0.984 . . . . 71.540000000000006 109.74 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 99.5 mttt -61.17 -43.19 99.28 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.382 1.073 . . . . 61.240000000000002 112.602 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 112' ' ' GLU . 16.5 mm -65.33 -40.11 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 121.28 0.562 . . . . 73.010000000000005 109.823 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.5 t -65.98 -36.1 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 114.999 -1.001 . . . . 65.420000000000002 110.808 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 96.8 mtt180 -60.34 -36.66 78.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.254 0.621 . . . . 74.310000000000002 110.817 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 31.4 mt-10 -67.06 -47.02 72.57 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 115.877 -0.601 . . . . 51.030000000000001 110.928 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 5' ' ' ILE . 14.4 m-30 -60.21 -41.62 93.39 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.52 0.728 . . . . 74.129999999999995 111.962 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.56 ' SD ' HG12 ' A' ' 22' ' ' VAL . 79.4 mtm -65.03 -38.72 91.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.59 0.756 . . . . 73.530000000000001 111.246 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -66.18 -39.23 89.56 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.635 0.774 . . . . 74.299999999999997 111.533 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 60.8 mttp -75.15 -46.33 35.0 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.706 0.803 . . . . 73.209999999999994 111.245 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.14 91.91 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.52 1.128 . . . . 72.030000000000001 112.42 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.182 0 O-C-N 123.983 0.802 . . . . 50.310000000000002 114.05 -177.417 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.832 0.825 . . . . 41.100000000000001 109.654 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 mt -106.24 141.32 21.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 124.756 1.223 . . . . 61.130000000000003 108.099 171.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -109.47 107.29 17.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.019 -1.104 . . . . 75.129999999999995 108.019 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.1 mm -83.37 106.15 13.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.836 -1.542 . . . . 75.409999999999997 106.836 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.29 124.15 36.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.955 -1.498 . . . . 73.120000000000005 106.955 -176.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.67 120.59 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 108.636 -0.875 . . . . 70.340000000000003 108.636 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.1 t30 -120.14 112.8 19.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 107.453 -1.314 . . . . 73.230000000000004 107.453 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -118.63 146.64 44.49 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.486 0.714 . . . . 63.439999999999998 109.987 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -84.53 -29.71 25.72 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.984 0.914 . . . . 70.400000000000006 109.024 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' HD23 ' A' ' 14' ' ' LEU . 72.9 m-20 -101.02 120.12 39.73 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.739 0.816 . . . . 72.450000000000003 110.768 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.14 -40.28 89.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.674 1.361 . . . . 41.329999999999998 114.674 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.88 -25.79 67.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.315 0.246 . . . . 71.040000000000006 111.279 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HG ' ' OE1' ' A' ' 83' ' ' GLN . 4.1 mm? -66.28 -32.96 74.69 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 122.769 0.428 . . . . 74.409999999999997 111.586 178.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.0 mt -57.8 -61.57 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 109.365 -0.606 . . . . 74.510000000000005 109.365 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.68 -31.49 71.63 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.922 0.764 . . . . 62.109999999999999 112.343 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.1 mtpp -72.63 -51.46 19.49 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.169 0.588 . . . . 74.140000000000001 111.712 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.68 -31.92 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.766 0.826 . . . . 74.109999999999999 111.127 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HD2' HG11 ' A' ' 29' ' ' VAL . 28.6 mmmt -44.83 -49.65 10.7 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.718 1.207 . . . . 74.430000000000007 111.006 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.19 -40.82 19.18 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.295 -0.866 . . . . 71.409999999999997 111.289 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -47.25 -39.7 14.9 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 123.653 0.781 . . . . 74.129999999999995 112.227 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 55' ' ' LEU . 6.9 m -102.65 -22.61 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.422 -0.808 . . . . 64.230000000000004 112.819 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.67 -47.97 80.81 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.481 0.712 . . . . 75.120000000000005 110.598 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -71.46 -16.32 62.36 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.919 -1.037 . . . . 71.310000000000002 111.985 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.49 4.23 51.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.535 0.734 . . . . 73.239999999999995 111.906 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.27 67.03 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.607 -0.269 . . . . 73.049999999999997 113.679 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.9 110.72 23.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.226 -1.027 . . . . 75.439999999999998 108.226 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.13 106.25 1.93 Allowed 'General case' 0 C--N 1.35 0.615 0 O-C-N 123.767 0.667 . . . . 64.530000000000001 109.551 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG11 ' HD2' ' A' ' 19' ' ' LYS . 2.4 t -78.53 125.45 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 121.16 0.505 . . . . 65.109999999999999 109.926 -173.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HB2' HD13 ' A' ' 56' ' ' ILE . 21.0 mmm180 -126.41 152.83 45.82 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 125.853 1.661 . . . . 70.239999999999995 107.421 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.83 143.07 40.81 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.367 -0.605 . . . . 41.240000000000002 109.367 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.84 118.19 48.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 124.337 1.055 . . . . 45.229999999999997 108.581 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -127.8 21.02 6.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.695 0.798 . . . . 73.439999999999998 109.807 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -150.75 139.76 21.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.811 0.844 . . . . 73.310000000000002 110.174 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -68.37 -36.85 79.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.895 0.878 . . . . 74.349999999999994 113.249 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.95 -34.22 77.48 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.686 0.394 . . . . 61.509999999999998 110.298 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mm-40 -65.02 -46.82 79.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.396 -0.82 . . . . 73.209999999999994 110.559 172.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.84 -44.05 69.99 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.458 1.103 . . . . 75.140000000000001 111.805 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -64.33 -39.97 94.95 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.135 -0.939 . . . . 74.239999999999995 110.688 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -76.11 -22.83 55.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.302 0.641 . . . . 73.040000000000006 112.218 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 14.7 mm-40 -61.04 -53.33 58.45 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.786 -0.82 . . . . 62.439999999999998 108.786 168.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.51 ' HG3' HD13 ' A' ' 70' ' ' LEU . 24.4 mmt -61.08 -25.06 66.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.886 -1.052 . . . . 71.109999999999999 112.735 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -59.0 -55.86 29.71 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 123.751 0.657 . . . . 54.25 109.438 170.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -73.92 -32.53 63.58 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.888 0.875 . . . . 64.230000000000004 111.871 -172.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.5 mt -66.29 -29.82 70.11 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.692 0.797 . . . . 71.129999999999995 110.565 177.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.061 0 C-N-CA 123.517 0.727 . . . . 64.239999999999995 111.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.709 0 CA-C-O 121.149 0.5 . . . . 75.349999999999994 111.164 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.0 mm -111.52 148.06 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 108.468 -0.938 . . . . 62.420000000000002 108.468 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -118.65 125.57 50.03 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 107.758 -1.201 . . . . 62.299999999999997 107.758 174.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' HD22 ' A' ' 6' ' ' LEU . 26.0 mm -110.98 114.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 109.39 -0.596 . . . . 72.340000000000003 109.39 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.93 124.99 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.435 -0.95 . . . . 61.439999999999998 108.435 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 45.3 t -124.95 146.31 49.43 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.874 -1.158 . . . . 55.009999999999998 107.874 172.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' OD1' HD11 ' A' ' 15' ' ' ILE . 39.9 m-80 -109.26 -0.23 19.28 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.909 0.483 . . . . 74.329999999999998 110.827 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.96 133.39 53.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.613 0.765 . . . . 41.509999999999998 109.873 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -73.91 -26.84 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.782 0.833 . . . . 71.150000000000006 112.389 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -73.2 -39.75 65.3 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 110.038 -0.356 . . . . 71.219999999999999 110.038 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.0 -43.74 98.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.105 0.562 . . . . 65.25 109.669 171.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -58.77 -45.07 90.63 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.402 -0.817 . . . . 54.509999999999998 111.219 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -59.06 -59.29 5.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 63.509999999999998 110.959 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.042 0.839 . . . . 72.409999999999997 111.103 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 71' ' ' ILE . 35.4 tpp -53.08 -63.62 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.551 1.157 . . . . 54.43 110.275 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 78' ' ' VAL . 59.8 mt -64.7 -34.2 77.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.595 0.758 . . . . 75.530000000000001 112.538 -171.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.48 -37.67 80.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.28 0.632 . . . . 62.119999999999997 111.102 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD13 ' HG3' ' A' ' 42' ' ' MET . 84.9 mt -71.61 -35.26 70.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.938 0.495 . . . . 61.229999999999997 110.999 175.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 67' ' ' MET . 77.7 mt -65.56 -34.38 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.421 0.689 . . . . 72.409999999999997 110.209 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.1 m -65.06 -32.02 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.688 -0.687 . . . . 60.030000000000001 110.783 174.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -78.62 -26.02 45.23 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.338 0.655 . . . . 62.049999999999997 110.784 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 46' ' ' ALA . 88.0 mt -79.02 -24.4 43.69 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 63.409999999999997 110.552 175.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.05 37.02 13.34 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 116.055 -0.521 . . . . 63.039999999999999 113.077 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -113.6 159.69 19.35 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.19 0.596 . . . . 72.329999999999998 110.204 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -102.61 136.59 42.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.532 -0.914 . . . . 62.210000000000001 108.532 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 68' ' ' LEU . 52.5 t -109.7 140.79 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.484 1.114 . . . . 74.109999999999999 110.71 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.29 115.08 28.72 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.537 -1.653 . . . . 72.120000000000005 106.537 165.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 6' ' ' LEU . 47.2 tp -109.68 124.45 51.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.131 0.572 . . . . 74.200000000000003 110.588 -170.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -108.33 113.36 26.38 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.649 -0.871 . . . . 73.450000000000003 108.649 170.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.61 114.0 27.65 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.554 -0.906 . . . . 61.039999999999999 108.554 172.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' HG3' HG13 ' A' ' 107' ' ' VAL . 48.7 tt0 -110.02 117.62 34.25 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.775 -0.824 . . . . 71.099999999999994 108.775 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -138.66 168.44 19.78 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.414 -0.587 . . . . 70.349999999999994 109.414 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -90.86 -13.17 34.22 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.361 0.664 . . . . 64.150000000000006 111.526 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.63 121.1 37.59 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.689 0.796 . . . . 62.450000000000003 109.123 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.03 -23.33 44.39 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.967 0.907 . . . . 61.109999999999999 113.374 -176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -71.29 -49.27 44.6 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.537 0.608 . . . . 73.319999999999993 109.962 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.74 -33.66 75.31 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.876 -0.602 . . . . 41.240000000000002 109.977 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.59 -44.67 95.74 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.429 -1.26 . . . . 72.319999999999993 110.997 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -68.4 -49.69 58.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.885 0.874 . . . . 51.409999999999997 111.079 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 47.5 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.574 0.75 . . . . 72.219999999999999 112.104 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.42 -35.79 73.62 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.328 0.392 . . . . 64.209999999999994 110.527 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.99 -52.9 63.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.409 0.684 . . . . 70.239999999999995 111.603 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -66.09 -22.7 66.42 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.86 0.725 . . . . 72.319999999999993 112.513 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.3 mttm -63.33 -44.94 93.45 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.831 0.824 . . . . 64.030000000000001 110.703 171.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 60.8 mt -83.65 -26.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 114.422 -1.263 . . . . 74.209999999999994 111.289 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.64 -24.18 67.5 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.11 1.364 . . . . 72.209999999999994 110.87 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -67.32 -19.18 65.42 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.51 1.124 . . . . 64.209999999999994 112.365 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.99 1.17 45.0 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.548 0.739 . . . . 71.120000000000005 112.276 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.83 31.79 55.1 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-O 121.18 0.322 . . . . 71.109999999999999 112.922 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -109.26 129.24 55.51 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.627 0.771 . . . . 64.420000000000002 108.929 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.17 97.07 0.5 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 109.557 -0.534 . . . . 65.329999999999998 109.557 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 80' ' ' LEU . 21.5 t -100.1 135.92 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.474 -0.935 . . . . 73.25 108.474 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.3 tpt180 -118.95 151.49 38.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.209 0.604 . . . . 74.25 110.707 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.35 140.88 31.15 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.15 0.98 . . . . 65.439999999999998 108.843 168.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.425 HG13 ' HG3' ' A' ' 83' ' ' GLN . 14.0 p -156.27 142.56 10.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 O-C-N 123.498 0.499 . . . . 74.430000000000007 110.04 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.9 p -122.73 -29.36 4.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.663 1.185 . . . . 64.129999999999995 109.88 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.15 129.08 34.08 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 74.409999999999997 109.258 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -67.74 -43.16 80.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.587 0.755 . . . . 74.099999999999994 111.016 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.32 -38.24 87.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.956 -0.565 . . . . 64.230000000000004 110.55 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.1 tp10 -68.66 -37.94 80.04 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.523 -0.762 . . . . 73.219999999999999 109.838 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -54.84 -45.98 74.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.854 0.862 . . . . 64.420000000000002 112.11 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 17' ' ' LYS . 62.5 mt -55.73 -45.33 77.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.992 0.917 . . . . 64.239999999999995 110.833 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.71 -43.99 97.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.603 -1.181 . . . . 54.340000000000003 111.165 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 105' ' ' ARG . 33.4 mm -66.51 -37.24 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.902 0.481 . . . . 61.229999999999997 111.024 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 113' ' ' ALA . 81.5 t -58.3 -44.14 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.125 0.57 . . . . 71.409999999999997 110.389 175.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.51 -24.92 64.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.831 -1.077 . . . . 63.509999999999998 111.245 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.61 -48.51 54.72 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.494 0.318 . . . . 73.450000000000003 110.168 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -57.05 -39.1 74.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.751 0.82 . . . . 64.129999999999995 112.4 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -67.02 -41.28 86.91 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.909 0.755 . . . . 75.129999999999995 111.322 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.13 -41.36 97.24 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.203 0.601 . . . . 73.200000000000003 110.856 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.82 -39.57 56.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.09 0.956 . . . . 62.420000000000002 111.024 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.34 -38.78 43.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.853 0.861 . . . . 72.540000000000006 111.945 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.456 0 O-C-N 124.488 1.118 . . . . 71.010000000000005 115.178 -175.392 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.858 0.361 . . . . 64.0 110.394 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.89 128.84 75.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 123.974 0.91 . . . . 72.230000000000004 108.637 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 68.2 mt -116.9 136.84 52.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.207 -1.034 . . . . 45.329999999999998 108.207 174.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' HB ' HD12 ' A' ' 55' ' ' LEU . 21.9 mm -104.97 110.92 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.562 -1.273 . . . . 74.400000000000006 107.562 173.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.671 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -94.33 127.39 40.17 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.309 -1.367 . . . . 74.209999999999994 107.309 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -131.19 118.91 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.402 -0.592 . . . . 72.230000000000004 109.402 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HD23 ' A' ' 82' ' ' LEU . 21.4 t-20 -111.18 118.5 36.13 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.749 -1.204 . . . . 61.539999999999999 107.749 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -125.66 145.8 50.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.557 -0.905 . . . . 74.340000000000003 108.557 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.62 -28.35 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.385 0.428 . . . . 72.25 110.399 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 38.4 t-20 -102.7 135.87 43.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.856 0.863 . . . . 54.130000000000003 110.799 -166.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.04 -30.33 71.3 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.147 0.979 . . . . 74.299999999999997 111.883 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.95 -51.09 70.55 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.759 0.662 . . . . 70.340000000000003 109.979 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.0 mm? -64.78 -35.61 81.65 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.474 -0.785 . . . . 73.010000000000005 111.264 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.4 mt -56.12 -63.44 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 109.593 -0.521 . . . . 65.219999999999999 109.593 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -65.05 -31.31 72.47 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.451 0.7 . . . . 61.350000000000001 112.881 -172.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -69.77 -49.21 55.16 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.921 0.489 . . . . 74.040000000000006 110.91 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.78 -33.98 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.344 0.658 . . . . 70.439999999999998 110.764 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.9 mtpt -58.36 -38.48 77.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.184 0.593 . . . . 65.329999999999998 110.823 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.16 -42.5 55.89 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.895 0.478 . . . . 70.099999999999994 110.852 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -50.2 -37.38 34.94 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.973 0.909 . . . . 75.109999999999999 112.474 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 29' ' ' VAL . 10.3 m -102.35 -17.93 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.116 0.566 . . . . 73.010000000000005 112.345 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.8 -50.23 74.62 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.061 0.945 . . . . 44.240000000000002 109.97 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.95 6.42 13.38 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.699 -1.137 . . . . 74.430000000000007 111.81 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -113.81 13.18 18.41 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.198 0.999 . . . . 71.530000000000001 111.67 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.22 72.72 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.636 0.615 . . . . 53.210000000000001 114.636 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -98.34 115.6 28.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.382 -0.97 . . . . 74.510000000000005 108.382 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.98 103.77 0.63 Allowed 'General case' 0 C--O 1.243 0.755 0 O-C-N 123.987 0.804 . . . . 60.140000000000001 109.474 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 22' ' ' VAL . 3.0 t -76.89 119.21 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.286 -0.87 . . . . 64.5 110.396 -170.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -128.53 144.44 51.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.815 1.246 . . . . 74.340000000000003 108.14 176.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -141.95 138.17 31.76 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.877 -0.786 . . . . 65.140000000000001 108.877 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 63' ' ' LEU . 53.2 t -98.73 115.89 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 114.792 -1.095 . . . . 62.020000000000003 108.762 -173.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.34 -38.59 30.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.207 0.603 . . . . 74.239999999999995 111.594 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.31 165.03 29.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.857 0.863 . . . . 70.219999999999999 110.902 -163.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 38.0 t -53.41 -40.03 64.77 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.547 1.139 . . . . 74.219999999999999 112.697 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 23.5 m-20 -66.84 -40.07 87.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.172 -0.442 . . . . 74.349999999999994 110.83 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' HG13 ' A' ' 32' ' ' VAL . 36.9 mm-40 -58.94 -39.63 82.19 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.309 0.644 . . . . 71.549999999999997 110.083 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.7 tp -56.15 -61.3 2.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.234 1.014 . . . . 72.450000000000003 110.209 174.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.33 -28.32 69.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.174 -0.921 . . . . 71.010000000000005 111.697 -171.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 74.3 mmtt -70.39 -53.24 17.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.248 0.619 . . . . 72.239999999999995 110.424 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.57 -31.18 63.48 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.994 0.738 . . . . 65.439999999999998 112.994 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.625 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 89.1 mmm -66.73 -30.04 70.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.614 0.366 . . . . 70.420000000000002 111.463 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -63.65 -41.73 98.19 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.228 0.611 . . . . 34.329999999999998 110.741 171.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -34.79 78.67 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.654 0.596 . . . . 74.430000000000007 110.782 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.56 -40.77 84.93 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.587 -0.733 . . . . 74.140000000000001 110.213 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.084 0 C-N-CA 123.296 0.638 . . . . 72.299999999999997 112.546 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.237 0.43 0 N-CA-C 109.302 -0.629 . . . . 75.239999999999995 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.17 113.63 40.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 75.109999999999999 107.133 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 22' ' ' VAL . 5.0 tt -91.21 127.6 36.71 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.086 -1.079 . . . . 71.340000000000003 108.086 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.702 HG21 ' SD ' ' A' ' 67' ' ' MET . 21.9 mm -111.22 133.07 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.345 -0.613 . . . . 71.030000000000001 109.345 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.24 123.7 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.904 -1.147 . . . . 71.439999999999998 107.904 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.0 t -121.31 116.46 24.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.511 -1.292 . . . . 72.510000000000005 107.511 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -77.3 -19.22 56.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.14 0.976 . . . . 73.209999999999994 110.886 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.43 140.39 36.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.712 1.205 . . . . 75.140000000000001 109.408 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.08 -35.62 69.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.431 0.692 . . . . 62.009999999999998 112.317 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 57.4 tp60 -75.42 -40.61 57.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.505 0.322 . . . . 53.439999999999998 110.479 -173.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD13 HG12 ' A' ' 32' ' ' VAL . 96.7 mt -60.78 -36.9 80.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.073 0.549 . . . . 42.229999999999997 110.474 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 7.7 tt -61.1 -49.21 78.22 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.204 0.94 . . . . 53.329999999999998 110.562 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -55.66 -57.39 12.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.969 0.793 . . . . 71.129999999999995 110.803 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 21.1 mm-40 -52.96 -47.2 68.33 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.661 1.225 . . . . 74.150000000000006 110.682 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 56' ' ' ILE . 31.6 ttm -57.23 -53.9 52.89 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.63 1.206 . . . . 65.5 111.515 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 71' ' ' ILE . 97.1 mt -67.07 -28.5 68.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.124 0.57 . . . . 65.540000000000006 112.19 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.81 -32.03 61.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.173 0.589 . . . . 75.510000000000005 111.118 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.98 -37.67 72.73 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.162 0.585 . . . . 75.310000000000002 110.042 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 68' ' ' LEU . 85.8 mt -70.31 -30.28 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.769 0.828 . . . . 54.240000000000002 110.809 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -60.16 -35.76 76.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.181 0.592 . . . . 61.32 110.302 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -71.69 -36.05 70.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.605 0.762 . . . . 74.349999999999994 110.983 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.69 -25.62 59.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.704 0.802 . . . . 72.5 111.554 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.89 30.51 59.35 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 115.973 -0.558 . . . . 70.209999999999994 114.075 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -90.57 136.15 33.25 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.513 -0.551 . . . . 64.150000000000006 109.513 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -79.69 114.07 18.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.235 -1.024 . . . . 74.129999999999995 108.235 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.3 t -101.67 140.73 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.992 -0.549 . . . . 44.450000000000003 111.386 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -108.6 116.39 31.88 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.734 -1.58 . . . . 71.120000000000005 106.734 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 104' ' ' VAL . 60.2 tp -104.59 128.91 52.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.235 0.614 . . . . 71.329999999999998 110.446 -173.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 tp -112.7 117.12 31.35 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.032 -0.729 . . . . 60.520000000000003 109.032 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.4 mt -104.88 118.36 36.36 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.136 -0.69 . . . . 43.420000000000002 109.136 173.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -109.48 112.59 24.79 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.074 -1.454 . . . . 53.210000000000001 107.074 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 10.1 m-20 -128.16 174.9 8.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.152 -0.931 . . . . 72.209999999999994 109.276 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.945 -0.57 . . . . 63.310000000000002 109.897 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.09 127.42 53.18 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.145 -0.687 . . . . 75.519999999999996 109.145 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -76.98 -24.89 52.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.978 0.733 . . . . 62.399999999999999 112.978 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.85 -43.45 71.89 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 110.01 -0.367 . . . . 73.200000000000003 110.01 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -79.36 -35.27 41.13 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.279 1.032 . . . . 71.310000000000002 109.887 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 16.6 tp -54.15 -50.99 65.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.371 1.068 . . . . 73.239999999999995 110.406 171.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.93 -39.58 69.35 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.529 0.732 . . . . 73.239999999999995 111.235 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.32 -46.65 72.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.282 1.033 . . . . 75.420000000000002 110.823 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -81.27 -35.04 31.62 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.99 0.916 . . . . 63.0 110.969 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -60.42 -52.76 63.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.314 1.046 . . . . 70.219999999999999 111.58 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.46 -24.45 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.183 0.993 . . . . 73.430000000000007 112.465 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -63.6 -49.56 72.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.926 0.89 . . . . 71.549999999999997 109.873 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -82.65 -33.09 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.495 -1.684 . . . . 75.109999999999999 110.514 -171.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.5 -36.18 82.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.175 0.99 . . . . 75.230000000000004 108.787 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.8 t -70.52 -20.8 62.8 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.345 -0.843 . . . . 72.329999999999998 111.431 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -77.41 -4.06 43.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.245 0.618 . . . . 75.209999999999994 111.722 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.97 39.7 4.26 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 112.334 -0.306 . . . . 44.240000000000002 112.334 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -118.04 135.91 53.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.403 0.681 . . . . 75.120000000000005 109.429 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.61 102.71 8.11 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 108.776 -0.824 . . . . 74.409999999999997 108.776 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 80' ' ' LEU . 5.6 t -118.16 139.67 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.214 0.606 . . . . 63.409999999999997 110.069 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -120.31 156.8 30.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.53 0.732 . . . . 72.109999999999999 109.372 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -94.24 141.87 28.07 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.757 -0.831 . . . . 72.329999999999998 108.757 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 p -155.16 142.03 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 123.867 0.729 . . . . 73.239999999999995 110.807 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.9 p -123.47 -29.83 3.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.21 1.004 . . . . 61.030000000000001 109.995 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.01 143.27 32.63 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.556 0.743 . . . . 63.409999999999997 109.904 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.557 ' HA ' HD11 ' A' ' 14' ' ' LEU . 6.3 p-10 -74.49 -35.21 63.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.586 0.354 . . . . 70.409999999999997 111.582 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.66 -49.77 56.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.04 0.536 . . . . 61.340000000000003 109.802 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 116' ' ' ILE . 26.4 mm-40 -58.51 -38.98 78.85 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.085 0.865 . . . . 65.439999999999998 110.82 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.65 -51.45 63.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.908 0.883 . . . . 33.409999999999997 111.178 177.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.02 -35.09 74.33 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.915 0.759 . . . . 72.239999999999995 110.961 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' HG2' ' NH2' ' A' ' 118' ' ' ARG . 96.2 mttt -71.04 -46.22 62.48 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.295 -0.866 . . . . 61.240000000000002 111.267 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 112' ' ' GLU . 41.3 mm -70.41 -27.65 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.25 0.62 . . . . 64.510000000000005 110.434 -175.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -57.62 -48.7 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.425 -0.583 . . . . 72.129999999999995 109.425 168.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 115' ' ' LYS . 82.0 mtm-85 -70.17 -22.17 62.99 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.69 -0.686 . . . . 75.0 111.629 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -70.91 -46.92 61.68 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.218 0.607 . . . . 72.140000000000001 109.95 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -66.39 -35.41 80.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.626 0.77 . . . . 65.200000000000003 112.012 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.535 ' SD ' HG12 ' A' ' 22' ' ' VAL . 69.1 mtm -73.23 -24.92 60.55 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.666 0.604 . . . . 62.130000000000003 110.806 174.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -72.93 -46.74 50.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.467 0.707 . . . . 65.25 110.488 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.06 -36.91 83.07 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.687 -0.688 . . . . 73.019999999999996 109.778 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.12 87.43 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.428 -0.805 . . . . 62.109999999999999 109.993 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.993 0 O-C-N 124.008 0.817 . . . . 55.310000000000002 112.772 -177.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 109.031 -0.729 . . . . 70.340000000000003 109.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.1 130.85 62.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-N 115.806 -0.634 . . . . 71.120000000000005 109.913 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' HB2' HG22 ' A' ' 78' ' ' VAL . 86.5 mt -126.19 118.19 24.68 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.463 1.105 . . . . 63.340000000000003 108.711 173.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.2 mm -93.26 105.19 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.923 -1.14 . . . . 63.329999999999998 107.923 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.663 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -91.69 124.07 35.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.445 -1.317 . . . . 62.009999999999998 107.445 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.449 HD12 HD21 ' A' ' 55' ' ' LEU . 77.2 mt -126.69 119.11 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.863 -0.791 . . . . 73.510000000000005 108.863 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' HB2' HD12 ' A' ' 64' ' ' LEU . 5.6 t30 -104.68 124.04 48.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.983 -1.488 . . . . 75.340000000000003 106.983 170.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 9.0 t -126.13 142.5 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.674 0.609 . . . . 70.129999999999995 109.647 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -80.64 -29.56 36.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.261 0.624 . . . . 74.340000000000003 109.637 170.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.534 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.7 m-20 -99.26 124.53 44.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.69 0.796 . . . . 51.130000000000003 111.071 -174.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.76 -19.09 64.71 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.555 1.142 . . . . 60.299999999999997 113.107 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.56 -43.99 89.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.08 0.552 . . . . 74.439999999999998 110.554 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -65.23 -29.92 70.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.573 -0.285 . . . . 74.099999999999994 111.697 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 HD21 ' A' ' 59' ' ' ASN . 56.1 mt -60.48 -60.8 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 N-CA-C 109.542 -0.54 . . . . 74.129999999999995 109.542 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.76 -41.74 99.36 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.211 0.605 . . . . 65.049999999999997 111.831 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.4 mtpt -69.16 -55.11 11.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.402 0.681 . . . . 73.409999999999997 111.268 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -57.56 -37.08 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.599 0.76 . . . . 70.530000000000001 110.409 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.6 mttm -53.45 -43.25 67.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.893 0.477 . . . . 73.439999999999998 111.772 175.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -77.15 -46.45 23.37 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.684 0.794 . . . . 74.519999999999996 111.549 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 7.5 mm-40 -50.01 -48.76 52.39 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.54 0.736 . . . . 73.530000000000001 111.434 176.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.752 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.2 m -88.86 -12.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.897 -0.592 . . . . 61.109999999999999 111.287 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.93 -38.62 91.74 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.087 -0.709 . . . . 71.129999999999995 109.087 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -67.57 -25.02 65.58 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.659 -1.155 . . . . 73.239999999999995 110.767 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 16.9 mm100 -103.12 3.59 36.06 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.816 0.846 . . . . 72.540000000000006 112.486 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.25 75.58 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 115.476 0.95 . . . . 53.32 115.476 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -105.44 125.7 51.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 117.476 0.638 . . . . 71.109999999999999 110.168 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -73.32 99.73 2.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.855 0.862 . . . . 64.409999999999997 109.6 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 19' ' ' LYS . 22.0 t -82.33 134.16 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.558 0.343 . . . . 73.219999999999999 111.131 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -127.62 117.37 21.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.771 -1.566 . . . . 75.219999999999999 106.771 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.98 131.96 45.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 109.585 -0.524 . . . . 65.230000000000004 109.585 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -129.12 117.3 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.227 1.011 . . . . 74.209999999999994 108.941 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.58 22.89 3.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.605 1.162 . . . . 63.140000000000001 108.293 169.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -140.36 144.34 36.22 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.408 1.083 . . . . 74.230000000000004 109.906 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 t -58.45 -47.01 85.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.772 0.829 . . . . 72.530000000000001 111.693 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 11.5 m-20 -68.27 -25.96 65.42 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 119.306 -0.378 . . . . 73.219999999999999 111.885 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.17 -40.37 74.75 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.118 0.417 . . . . 72.140000000000001 110.889 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -55.39 34.88 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.693 0.621 . . . . 70.239999999999995 110.322 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 39.6 mtpt -62.45 -43.09 99.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.34 -1.3 . . . . 72.200000000000003 110.905 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -62.06 -43.74 98.19 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.058 0.943 . . . . 63.130000000000003 110.542 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.8 mm-40 -69.37 -30.65 68.7 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.681 0.613 . . . . 64.099999999999994 111.703 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -70.24 -32.73 70.72 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.611 0.365 . . . . 73.25 111.359 176.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.9 mmtp -64.72 -42.27 95.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.008 -0.738 . . . . 74.310000000000002 109.008 173.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.65 -42.42 99.59 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 124.221 0.951 . . . . 74.209999999999994 111.283 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 92.9 mt -67.02 -31.99 72.91 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.906 0.482 . . . . 75.209999999999994 110.912 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.952 0 CA-C-N 115.769 -0.65 . . . . 74.219999999999999 111.789 178.559 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.037 -0.727 . . . . 71.239999999999995 109.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' HB ' HD23 ' A' ' 4' ' ' LEU . 59.4 mt -113.33 142.3 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.026 -0.731 . . . . 73.409999999999997 109.026 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -124.33 125.89 45.09 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.05 -1.463 . . . . 74.239999999999995 107.05 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.663 ' HB ' HD22 ' A' ' 6' ' ' LEU . 12.0 mm -111.55 122.11 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.612 -0.884 . . . . 74.540000000000006 108.612 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.58 140.5 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 108.873 -0.788 . . . . 73.530000000000001 108.873 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -141.44 167.3 22.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.552 1.141 . . . . 74.319999999999993 107.957 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.573 HD21 HD11 ' A' ' 15' ' ' ILE . 14.3 m120 -118.0 -7.67 10.83 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.427 0.691 . . . . 75.030000000000001 110.409 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -116.95 134.97 54.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 73.420000000000002 110.502 -167.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -77.29 -25.86 51.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.582 1.153 . . . . 63.020000000000003 112.085 -175.132 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.72 -43.1 38.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.461 0.304 . . . . 70.120000000000005 110.295 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.11 -34.86 79.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.534 0.734 . . . . 64.439999999999998 110.259 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.6 tt -65.56 -41.46 92.93 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.827 -0.624 . . . . 51.140000000000001 110.668 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -58.62 -58.78 7.05 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.619 0.574 . . . . 75.109999999999999 110.012 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -52.25 -41.82 63.12 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.865 0.728 . . . . 73.329999999999998 111.213 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.3 tpp -54.62 -63.02 1.29 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.164 0.986 . . . . 74.209999999999994 111.184 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -26.14 64.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.417 0.687 . . . . 53.25 112.581 -171.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.11 -33.74 50.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.7 0.4 . . . . 73.329999999999998 110.258 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 42' ' ' MET . 76.6 mt -71.55 -37.3 71.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.349 0.66 . . . . 64.299999999999997 110.616 172.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 74' ' ' LEU . 80.6 mt -72.6 -26.0 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.232 0.613 . . . . 52.439999999999998 110.296 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -65.11 -33.68 76.6 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.156 0.582 . . . . 75.120000000000005 110.07 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.38 -39.66 71.06 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.581 -0.736 . . . . 73.200000000000003 110.755 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 71' ' ' ILE . 71.3 mt -69.47 -36.1 76.24 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.927 0.891 . . . . 72.109999999999999 111.528 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.57 42.98 31.32 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.011 -0.54 . . . . 61.539999999999999 113.455 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.4 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.9 m-30 -98.36 140.72 32.21 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.641 0.376 . . . . 75.439999999999998 111.251 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -72.43 107.9 5.23 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.529 -0.915 . . . . 61.200000000000003 108.529 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 4' ' ' LEU . 98.1 t -106.61 139.92 26.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 123.367 0.667 . . . . 72.340000000000003 111.203 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.514 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.4 m-85 -109.52 113.38 26.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.062 -1.458 . . . . 72.129999999999995 107.062 166.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 64' ' ' LEU . 57.8 tp -96.71 139.38 32.86 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.119 0.568 . . . . 65.310000000000002 111.786 -175.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 22.4 tp -124.87 126.76 46.07 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.418 1.087 . . . . 34.219999999999999 108.16 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -113.48 113.41 25.11 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 108.604 -0.888 . . . . 55.130000000000003 108.604 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 23.6 tm0? -112.37 102.89 10.99 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.81 -1.181 . . . . 74.019999999999996 107.81 174.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -151.52 136.38 17.25 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.237 -1.394 . . . . 70.219999999999999 107.237 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.35 -24.27 59.15 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.079 0.4 . . . . 65.319999999999993 112.079 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.44 84.33 5.34 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.04 -0.726 . . . . 73.120000000000005 109.04 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.682 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 36.2 mt-10 -68.59 -13.93 62.67 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.801 0.667 . . . . 74.140000000000001 112.801 -174.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.33 -52.53 32.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.689 0.796 . . . . 32.340000000000003 110.001 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.59 -34.38 65.07 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.228 -0.896 . . . . 64.329999999999998 110.236 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.682 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 14.9 tp -64.97 -35.82 82.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 62.030000000000001 110.584 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.47 -49.79 74.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.003 0.521 . . . . 73.25 110.6 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 30.2 mm-40 -69.34 -40.92 77.26 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.635 -0.711 . . . . 75.549999999999997 111.291 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 24.4 t80 -69.82 -34.4 73.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 116.324 -0.398 . . . . 75.219999999999999 110.242 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' HG11 ' A' ' 104' ' ' VAL . 19.2 ttpt -58.74 -58.13 9.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.883 0.873 . . . . 64.129999999999995 110.665 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.503 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 2.3 ptm180 -67.41 -24.67 65.68 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.229 0.825 . . . . 71.230000000000004 113.229 -170.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.4 mptm? -72.86 -37.43 67.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.518 0.327 . . . . 71.310000000000002 111.105 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.9 mt -85.34 -23.74 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-O 121.584 0.707 . . . . 53.409999999999997 110.289 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 32.0 tt0 -64.75 -33.69 76.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.712 1.205 . . . . 75.530000000000001 109.14 171.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.0 t -70.96 -26.38 63.14 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 114.933 -1.031 . . . . 75.019999999999996 110.802 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -79.5 -0.82 34.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.632 0.773 . . . . 73.319999999999993 111.621 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.84 82.39 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 122.961 0.315 . . . . 53.299999999999997 113.298 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 97' ' ' ILE . 55.8 m-85 -82.61 144.64 30.17 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 122.68 0.392 . . . . 72.540000000000006 110.728 176.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -74.2 92.45 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.07 -0.968 . . . . 72.040000000000006 109.073 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.5 t -103.77 119.68 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.414 -0.587 . . . . 74.340000000000003 109.414 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -116.97 134.91 54.14 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.663 0.785 . . . . 75.120000000000005 109.155 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HB2' HD21 ' A' ' 90' ' ' LEU . 17.9 ptmt -97.91 155.93 16.84 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.851 0.86 . . . . 74.219999999999999 110.03 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -169.15 158.92 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.611 0.764 . . . . 73.120000000000005 109.463 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -128.48 -33.82 2.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.797 0.839 . . . . 73.129999999999995 110.584 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.62 144.29 26.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.153 0.581 . . . . 72.109999999999999 110.395 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.0 -38.64 66.55 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.574 0.749 . . . . 73.420000000000002 111.245 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.72 -41.39 92.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.509 0.724 . . . . 71.129999999999995 109.923 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.506 ' O ' HG12 ' A' ' 116' ' ' ILE . 14.4 tp10 -75.03 -32.85 61.69 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 115.063 -0.971 . . . . 65.109999999999999 110.333 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.42 -42.7 99.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.001 0.52 . . . . 63.210000000000001 111.046 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.555 HD11 ' HE2' ' A' ' 17' ' ' LYS . 80.7 mt -62.27 -35.72 79.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.431 0.692 . . . . 75.340000000000003 110.586 176.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 53.0 mtpt -70.73 -27.07 63.69 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.081 -0.963 . . . . 74.209999999999994 111.227 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 112' ' ' GLU . 26.4 mm -78.9 -36.07 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.414 -0.587 . . . . 52.450000000000003 109.414 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 113' ' ' ALA . 96.1 t -63.09 -39.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.497 0.719 . . . . 75.519999999999996 110.062 176.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.6 ptt180 -62.07 -35.5 78.83 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.361 0.413 . . . . 73.209999999999994 109.904 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 67.3 mm-40 -63.68 -47.09 82.64 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.977 0.798 . . . . 64.540000000000006 109.919 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' ILE . 25.6 m-85 -59.16 -47.23 86.08 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.102 0.876 . . . . 75.140000000000001 111.415 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.752 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -66.78 -38.49 86.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.746 0.819 . . . . 72.430000000000007 112.002 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -68.32 -41.44 80.82 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.212 1.005 . . . . 75.239999999999995 111.516 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -75.22 -37.16 61.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.404 0.682 . . . . 72.019999999999996 110.534 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.75 -34.2 75.19 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.326 0.65 . . . . 21.109999999999999 110.063 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.298 0 CA-C-N 114.84 -1.073 . . . . 54.329999999999998 112.368 172.335 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 53' ' ' LYS . 26.7 ttpt . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.536 -0.913 . . . . 72.409999999999997 108.536 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 77' ' ' LYS . 20.7 mt -94.31 129.01 45.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.276 -0.875 . . . . 72.219999999999999 108.937 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.71 110.05 21.98 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.741 -0.837 . . . . 61.039999999999999 108.741 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 mm -84.9 106.84 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 107.899 -1.148 . . . . 64.430000000000007 107.899 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.659 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.76 138.23 31.72 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.261 -1.385 . . . . 72.230000000000004 107.261 -177.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.52 HD12 HD21 ' A' ' 55' ' ' LEU . 79.2 mt -138.7 131.8 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.031 0.532 . . . . 74.209999999999994 109.68 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -120.62 114.64 22.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 107.375 -1.343 . . . . 60.43 107.375 168.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -124.96 144.41 50.38 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 64.120000000000005 108.892 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.18 -11.26 47.33 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.012 0.434 . . . . 73.129999999999995 109.988 173.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.54 129.34 36.02 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.23 1.012 . . . . 72.030000000000001 110.284 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.11 -38.39 78.89 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.645 0.591 . . . . 64.420000000000002 111.212 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.02 -44.32 94.69 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 74.349999999999994 110.638 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.0 -24.95 67.36 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.872 0.693 . . . . 72.340000000000003 112.872 -175.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.8 mt -57.95 -58.76 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 O-C-N 123.562 0.539 . . . . 74.340000000000003 110.062 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.15 -32.67 63.24 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.043 0.386 . . . . 71.340000000000003 112.043 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 114' ' ' LEU . 30.1 mtpp -60.91 -51.96 67.05 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.223 0.609 . . . . 62.109999999999999 109.938 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 7' ' ' ILE . 90.1 mt -64.71 -38.14 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.075 0.859 . . . . 64.310000000000002 110.498 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' HG11 ' A' ' 29' ' ' VAL . 95.8 mttt -55.85 -43.04 76.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.286 0.366 . . . . 73.439999999999998 111.518 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -72.1 -43.55 64.62 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.553 0.533 . . . . 75.439999999999998 110.53 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -50.12 -48.32 53.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.194 -0.912 . . . . 71.099999999999994 112.464 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.41 -15.04 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.081 0.552 . . . . 62.420000000000002 111.596 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.656 0.741 . . . . 72.430000000000007 109.482 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.54 -25.12 66.51 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.973 -1.467 . . . . 75.239999999999995 111.118 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.96 -2.88 56.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.017 0.927 . . . . 74.109999999999999 112.048 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 34.68 72.85 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 115.06 0.784 . . . . 74.209999999999994 115.06 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -102.39 125.22 49.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.793 -0.817 . . . . 70.5 108.793 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -82.35 118.69 23.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.34 -0.615 . . . . 62.229999999999997 109.34 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 19' ' ' LYS . 26.3 t -88.54 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.909 0.483 . . . . 74.040000000000006 110.349 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -125.86 137.63 53.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 106.615 -1.624 . . . . 74.140000000000001 106.615 167.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -121.95 126.41 48.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 107.823 -1.177 . . . . 73.150000000000006 107.823 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 38' ' ' LEU . 96.7 t -105.19 115.32 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 123.809 0.844 . . . . 74.030000000000001 109.564 -170.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.04 -17.7 18.99 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.32 0.648 . . . . 73.439999999999998 111.606 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.07 154.25 41.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.413 0.285 . . . . 61.240000000000002 111.044 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.7 p -55.56 -47.15 76.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.299 1.039 . . . . 71.519999999999996 112.695 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 4.7 m-20 -62.76 -33.61 75.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.547 0.339 . . . . 75.219999999999999 111.134 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.49 -51.34 69.05 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.72 0.638 . . . . 72.120000000000005 110.013 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 9.0 tt -49.61 -47.52 49.55 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.547 1.139 . . . . 53.420000000000002 110.947 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' SER . 24.6 mtpp -73.09 -25.69 60.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 74.319999999999993 111.362 -174.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 45.5 mmtm -70.15 -41.9 73.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.911 0.485 . . . . 70.010000000000005 110.308 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 8.9 mm-40 -59.24 -42.32 90.8 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.938 0.774 . . . . 72.230000000000004 110.494 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' HD13 ' A' ' 70' ' ' LEU . 23.0 mmt -60.2 -36.14 76.98 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.729 0.811 . . . . 71.120000000000005 112.353 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -68.81 -38.41 79.9 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.232 -0.895 . . . . 74.519999999999996 110.25 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.42 -34.14 74.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.852 0.461 . . . . 74.310000000000002 110.639 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.6 mt -65.43 -28.45 69.25 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.609 0.764 . . . . 73.540000000000006 111.335 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 123.336 0.655 . . . . 74.140000000000001 110.991 178.591 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 109.985 -0.376 . . . . 73.420000000000002 109.985 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mm -111.47 115.83 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.133 0.573 . . . . 51.450000000000003 109.598 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -83.94 134.86 34.65 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.085 -1.08 . . . . 63.439999999999998 108.085 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.659 ' HB ' HD22 ' A' ' 6' ' ' LEU . 16.0 mm -116.53 135.58 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.032 0.533 . . . . 62.439999999999998 109.724 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -115.63 136.52 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 107.343 -1.355 . . . . 72.129999999999995 107.343 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -142.19 128.9 20.42 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.875 -1.158 . . . . 42.530000000000001 107.875 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.44 -9.15 59.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.736 0.414 . . . . 75.219999999999999 110.734 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.2 137.16 52.33 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.434 0.694 . . . . 64.109999999999999 111.098 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.75 -29.59 36.24 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.874 -1.057 . . . . 34.100000000000001 113.167 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -69.41 -41.37 76.47 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.515 -0.55 . . . . 74.109999999999999 109.515 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.06 -45.36 87.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.375 -0.83 . . . . 41.350000000000001 109.989 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -53.25 -48.35 68.3 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.942 0.776 . . . . 71.040000000000006 111.417 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.78 -54.41 46.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.867 0.467 . . . . 71.340000000000003 111.792 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -49.31 68.32 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.038 1.335 . . . . 63.450000000000003 109.823 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 56' ' ' ILE . 4.3 ttp -53.61 -52.91 58.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 113.012 -1.904 . . . . 73.150000000000006 112.879 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.527 HD21 ' HG ' ' A' ' 6' ' ' LEU . 80.2 mt -65.35 -33.9 77.05 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.607 0.595 . . . . 74.349999999999994 112.607 -175.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.89 -30.36 65.31 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.551 0.532 . . . . 53.219999999999999 110.554 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 42' ' ' MET . 95.2 mt -72.14 -37.84 69.36 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 122.721 0.408 . . . . 74.219999999999999 111.179 171.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.466 HD12 HD23 ' A' ' 68' ' ' LEU . 68.4 mt -68.51 -29.17 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 122.99 0.516 . . . . 60.520000000000003 110.357 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -61.15 -34.51 75.14 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.411 0.684 . . . . 63.409999999999997 110.534 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -72.02 -30.75 65.52 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.06 0.457 . . . . 74.310000000000002 110.259 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.1 -22.91 48.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.656 0.782 . . . . 73.219999999999999 110.859 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.03 31.48 75.21 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.007 -0.542 . . . . 53.310000000000002 113.987 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -88.86 150.64 22.79 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.009 0.523 . . . . 75.129999999999995 111.797 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HB2' HG12 ' A' ' 3' ' ' ILE . 31.4 mmmt -66.85 117.25 8.69 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.66 -1.155 . . . . 65.040000000000006 109.191 173.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 68' ' ' LEU . 54.5 t -108.84 122.52 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.881 -0.414 . . . . 72.030000000000001 109.881 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -110.67 111.3 22.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.144 -1.798 . . . . 75.310000000000002 106.144 167.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 tp -106.29 133.79 50.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.577 0.751 . . . . 74.349999999999994 110.613 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD13 HG21 ' A' ' 116' ' ' ILE . 39.4 tp -115.68 118.5 33.24 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 63.210000000000001 109.455 173.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 90' ' ' LEU . 85.1 mt -103.27 122.89 45.72 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.831 0.853 . . . . 72.450000000000003 109.561 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -113.76 109.41 18.52 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.497 -0.927 . . . . 71.109999999999999 108.497 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -154.58 148.34 25.46 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.345 0.403 . . . . 62.020000000000003 110.066 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.5 -40.39 26.19 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.189 0.596 . . . . 70.510000000000005 112.287 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -86.37 95.62 9.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.277 -0.638 . . . . 52.420000000000002 109.277 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.3 mt-10 -71.6 -18.27 62.23 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.821 0.674 . . . . 72.239999999999995 112.821 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 3.9 m-20 -64.43 -46.93 81.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.288 -0.634 . . . . 71.120000000000005 109.288 172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.03 -36.96 58.88 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.368 -0.833 . . . . 71.120000000000005 110.357 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 30.1 tp -66.92 -51.62 53.05 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 123.889 0.876 . . . . 71.129999999999995 110.826 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 25.5 tp10 -59.43 -51.63 69.07 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.226 0.954 . . . . 63.229999999999997 110.041 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 1.4 tm-20 -52.72 -52.63 55.47 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.678 1.236 . . . . 74.129999999999995 111.472 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.83 -40.82 98.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.644 1.178 . . . . 74.209999999999994 111.146 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.04 -30.97 71.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.102 0.961 . . . . 51.520000000000003 111.054 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 9.0 mmm180 -63.64 -36.92 85.4 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.677 0.391 . . . . 73.219999999999999 111.295 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.9 -46.49 90.41 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.184 -0.916 . . . . 72.349999999999994 110.732 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.43 HG21 HD23 ' A' ' 80' ' ' LEU . 18.7 mt -74.54 -29.53 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 114.687 -1.142 . . . . 71.510000000000005 110.902 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.93 -34.46 73.49 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.526 -1.216 . . . . 72.310000000000002 109.805 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -73.88 -20.76 60.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.627 0.771 . . . . 74.239999999999995 110.991 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -71.88 -12.65 61.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.705 0.402 . . . . 74.219999999999999 110.584 172.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.96 52.69 4.23 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.769 -0.532 . . . . 54.240000000000002 111.769 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -127.64 145.07 51.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.159 0.584 . . . . 74.420000000000002 109.824 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.67 94.76 3.28 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.594 -0.891 . . . . 73.439999999999998 108.594 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.78 109.3 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.411 -0.588 . . . . 52.210000000000001 109.411 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 0.7 OUTLIER -101.83 150.56 23.04 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.237 -0.653 . . . . 74.450000000000003 109.237 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -98.4 155.42 17.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.703 0.801 . . . . 63.32 109.123 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.95 152.32 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.267 0.627 . . . . 74.420000000000002 110.289 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -119.01 -40.57 2.83 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.352 0.661 . . . . 54.439999999999998 111.581 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -94.91 155.29 16.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.814 0.446 . . . . 73.129999999999995 111.523 -172.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.61 -45.33 68.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.93 0.892 . . . . 73.150000000000006 112.182 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.68 -37.16 70.78 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.207 0.527 . . . . 64.030000000000001 109.745 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.29 -36.33 83.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.517 1.127 . . . . 75.409999999999997 111.04 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.52 -44.64 95.86 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.38 0.425 . . . . 23.219999999999999 110.657 175.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 17' ' ' LYS . 72.2 mt -59.83 -33.21 71.46 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.905 0.753 . . . . 55.020000000000003 110.652 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.2 mmmp? -71.04 -53.02 16.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.367 -0.833 . . . . 64.209999999999994 111.445 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.416 HG21 HD13 ' A' ' 81' ' ' LEU . 38.1 mm -63.3 -32.81 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 117.881 0.309 . . . . 71.439999999999998 111.126 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.2 t -64.2 -46.25 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.227 0.611 . . . . 70.099999999999994 110.832 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.6 ptm180 -69.89 -29.93 67.24 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.916 0.135 . . . . 71.140000000000001 110.67 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 45.7 mm-40 -69.57 -44.34 71.05 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.463 -0.569 . . . . 73.209999999999994 109.463 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 7.9 m-30 -55.15 -44.8 75.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.387 1.075 . . . . 70.329999999999998 112.15 175.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 118' ' ' ARG . 69.0 mtm -71.29 -27.28 63.31 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.782 0.676 . . . . 51.140000000000001 112.035 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -76.34 -38.07 56.44 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.696 0.399 . . . . 74.420000000000002 110.418 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -60.68 -50.63 72.71 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.825 -0.806 . . . . 60.399999999999999 108.825 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.75 85.1 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.865 -1.516 . . . . 71.420000000000002 110.984 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.085 0 O-C-N 124.361 1.038 . . . . 71.329999999999998 113.102 -176.595 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.2 mttp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 120.848 0.356 . . . . 74.400000000000006 110.199 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 77' ' ' LYS . 39.1 mt -114.65 109.76 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 107.624 -1.25 . . . . 72.25 107.624 167.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.8 122.77 46.43 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.474 -0.936 . . . . 61.520000000000003 108.474 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 33.6 mm -89.71 112.21 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 108.034 -1.098 . . . . 64.310000000000002 108.034 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -93.83 134.85 35.75 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 107.344 -1.354 . . . . 73.019999999999996 107.344 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.429 HD12 HD21 ' A' ' 55' ' ' LEU . 82.2 mt -139.55 128.0 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.33 0.652 . . . . 62.210000000000001 109.342 176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 64' ' ' LEU . 24.3 t-20 -119.9 112.7 19.53 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.353 -0.98 . . . . 70.340000000000003 108.353 169.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -127.92 140.77 51.81 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.419 1.087 . . . . 71.450000000000003 108.301 167.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.08 -4.88 59.18 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.225 0.61 . . . . 64.450000000000003 110.283 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.49 109.76 21.61 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.998 0.919 . . . . 72.400000000000006 108.616 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.29 -18.63 64.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.971 0.908 . . . . 73.319999999999993 111.914 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.02 -56.16 24.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.255 0.972 . . . . 75.109999999999999 109.003 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.1 mm? -65.08 -36.27 83.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.077 -0.51 . . . . 72.310000000000002 111.433 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' HE2' ' A' ' 19' ' ' LYS . 60.5 mt -53.75 -56.53 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.655 0.597 . . . . 74.230000000000004 110.466 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.46 -37.28 74.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.088 0.403 . . . . 71.219999999999999 112.088 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.9 mtpt -66.76 -44.43 81.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.109 0.564 . . . . 64.219999999999999 111.163 -177.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.418 HD13 HD13 ' A' ' 7' ' ' ILE . 87.2 mt -62.87 -42.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 123.885 0.741 . . . . 71.310000000000002 109.683 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HE2' HG22 ' A' ' 15' ' ' ILE . 55.4 mtmt -60.95 -31.44 70.99 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 119.113 -0.47 . . . . 73.219999999999999 111.741 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -72.3 -52.16 17.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.426 0.29 . . . . 75.540000000000006 110.58 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 mm-40 -43.82 -53.98 5.57 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.137 0.975 . . . . 70.030000000000001 112.054 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.557 HG12 ' SD ' ' A' ' 121' ' ' MET . 6.1 m -83.6 -21.28 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.631 -1.168 . . . . 73.120000000000005 111.885 -169.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.48 -46.74 86.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.908 0.883 . . . . 72.010000000000005 110.004 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -65.02 -29.5 70.41 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.265 -0.88 . . . . 70.120000000000005 110.654 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.6 mm-40 -83.35 -0.02 47.94 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.318 0.647 . . . . 74.219999999999999 111.809 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.6 29.32 57.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.852 0.701 . . . . 72.219999999999999 114.852 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -102.42 122.76 44.93 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 117.373 0.587 . . . . 75.230000000000004 109.703 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -84.56 120.1 25.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.342 0.657 . . . . 75.129999999999995 109.512 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 23.2 t -96.03 143.49 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.329 0.652 . . . . 70.530000000000001 111.273 -175.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -118.72 118.08 30.66 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.257 -1.016 . . . . 64.120000000000005 108.257 171.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.11 116.92 23.13 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.094 -1.076 . . . . 75.209999999999994 108.094 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.08 115.77 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 108.263 -1.014 . . . . 74.230000000000004 108.263 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -137.97 17.38 2.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.681 1.192 . . . . 55.32 108.399 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -143.74 138.19 28.64 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.576 1.151 . . . . 72.230000000000004 110.296 -176.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.4 t -63.8 -42.75 97.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.161 0.984 . . . . 62.420000000000002 113.154 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.06 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 123.038 0.211 . . . . 35.340000000000003 110.626 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 22.4 mm-40 -64.93 -46.25 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.838 0.455 . . . . 72.200000000000003 110.366 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 66' ' ' GLU . 6.9 tt -55.67 -51.01 68.73 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.039 0.936 . . . . 70.0 111.264 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -69.52 -40.87 76.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.262 -0.881 . . . . 74.120000000000005 111.474 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -72.46 -24.09 61.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.007 0.523 . . . . 60.329999999999998 111.657 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 48.7 mm-40 -68.29 -44.11 76.21 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 110.026 -0.361 . . . . 72.530000000000001 110.026 169.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.533 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -64.57 -25.68 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.333 0.653 . . . . 62.299999999999997 112.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.08 -57.71 10.57 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.562 0.539 . . . . 73.549999999999997 109.892 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -65.61 -33.97 77.14 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.584 0.754 . . . . 75.299999999999997 112.242 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.682 0.793 . . . . 63.210000000000001 110.184 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 112.141 0.423 . . . . 70.030000000000001 112.141 -177.725 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.241 0.642 0 N-CA-C 109.348 -0.612 . . . . 72.310000000000002 109.348 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -100.55 122.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 115.894 -0.594 . . . . 73.340000000000003 109.919 -170.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 7.1 tt -87.83 127.71 35.34 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.245 -1.391 . . . . 65.430000000000007 107.245 169.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.2 mm -107.02 112.27 39.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.9 -0.778 . . . . 72.230000000000004 108.9 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.4 mt -95.19 114.53 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.037 -1.468 . . . . 61.210000000000001 107.037 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -112.1 118.53 35.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.852 -1.536 . . . . 33.329999999999998 106.852 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.12 -32.16 72.25 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.681 0.613 . . . . 75.230000000000004 110.385 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -100.33 134.86 42.64 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 74.129999999999995 109.817 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.4 -22.97 47.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.543 0.737 . . . . 64.329999999999998 112.937 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 6.7 tp60 -72.44 -42.02 65.5 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.983 -0.747 . . . . 75.140000000000001 108.983 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.47 -31.54 72.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.28 0.632 . . . . 75.310000000000002 110.689 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 80' ' ' LEU . 6.9 tt -61.12 -47.33 86.77 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.855 0.462 . . . . 64.310000000000002 110.182 173.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.91 -56.52 20.96 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.821 0.701 . . . . 60.140000000000001 110.982 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 38' ' ' LEU . 8.6 mm-40 -57.59 -39.03 75.89 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.966 0.791 . . . . 70.310000000000002 110.619 -176.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.463 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.2 tpp -56.22 -56.63 18.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.395 1.059 . . . . 73.0 110.243 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.525 HD23 HD12 ' A' ' 71' ' ' ILE . 95.5 mt -72.58 -27.63 62.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.641 0.776 . . . . 45.43 112.935 -172.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.55 -36.14 60.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.919 0.488 . . . . 75.439999999999998 110.071 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD13 ' HG3' ' A' ' 42' ' ' MET . 79.6 mt -67.38 -38.69 85.13 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.430000000000007 110.65 170.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 76' ' ' TYR . 84.9 mt -67.2 -30.33 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.601 0.761 . . . . 74.420000000000002 110.162 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -68.22 -35.48 78.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.951 0.501 . . . . 71.329999999999998 110.311 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.64 -38.47 77.17 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.84 0.856 . . . . 75.209999999999994 110.672 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.93 -18.74 49.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.982 0.913 . . . . 70.430000000000007 111.502 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.84 29.87 68.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.469 0.948 . . . . 74.439999999999998 115.469 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.553 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.0 m-85 -83.62 146.15 28.44 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.102 0.951 . . . . 64.030000000000001 111.135 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HB3' HG12 ' A' ' 3' ' ' ILE . 15.7 tppt? -73.87 124.94 27.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.487 0.715 . . . . 71.310000000000002 110.079 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.35 139.35 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.383 0.611 . . . . 72.519999999999996 111.335 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -112.25 113.91 26.4 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 106.638 -1.616 . . . . 74.230000000000004 106.638 166.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 64' ' ' LEU . 31.6 tp -102.17 140.94 35.78 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.614 0.765 . . . . 53.229999999999997 110.737 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.9 tp -126.14 120.72 30.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.068 0.947 . . . . 75.209999999999994 109.55 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.56 118.5 35.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.437 1.095 . . . . 73.140000000000001 109.452 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -102.16 117.34 34.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.949 0.34 . . . . 74.25 110.415 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 13.6 m-20 -147.6 146.38 29.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.535 1.134 . . . . 54.420000000000002 108.776 173.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -84.86 -17.04 39.22 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.922 -0.581 . . . . 73.530000000000001 109.624 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.96 85.99 6.84 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.733 0.813 . . . . 62.130000000000003 108.828 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.37 -26.65 68.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.484 0.713 . . . . 72.219999999999999 112.915 -173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.79 -55.01 26.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.783 0.833 . . . . 73.25 110.271 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.06 -41.33 70.86 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.689 -0.687 . . . . 71.239999999999995 109.95 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 27.0 tp -57.27 -41.07 79.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.725 1.21 . . . . 70.230000000000004 111.002 177.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.59 -49.35 75.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.623 0.577 . . . . 75.439999999999998 111.056 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -58.3 -54.84 42.46 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.108 0.88 . . . . 74.049999999999997 111.507 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -64.53 -33.9 76.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.865 0.466 . . . . 73.040000000000006 110.729 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.6 OUTLIER -63.49 -58.62 6.45 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.419 0.687 . . . . 63.420000000000002 111.165 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -65.98 -31.48 72.41 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.727 0.642 . . . . 73.450000000000003 112.394 -171.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.16 -40.61 96.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.158 0.583 . . . . 73.510000000000005 111.189 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.0 mt -82.48 -27.35 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.629 0.771 . . . . 55.530000000000001 110.847 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.97 -27.45 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.847 -0.615 . . . . 72.310000000000002 109.775 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -76.47 -16.09 59.75 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.658 0.783 . . . . 64.299999999999997 110.823 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -77.59 -6.32 53.33 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.984 0.513 . . . . 63.439999999999998 110.812 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 50.0 3.43 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.431 0.457 . . . . 62.119999999999997 112.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -131.35 144.55 51.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.43 0.692 . . . . 72.409999999999997 110.157 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.5 91.07 3.9 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.263 -1.014 . . . . 72.120000000000005 108.263 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.555 HG12 ' HG2' ' A' ' 94' ' ' LYS . 30.0 t -104.55 133.53 48.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 108.087 -1.079 . . . . 51.43 108.087 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 4.5 tpt180 -121.69 146.45 47.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 110.166 -0.309 . . . . 75.519999999999996 110.166 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 54.3 mtpt -96.04 138.38 33.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 74.120000000000005 108.146 173.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.2 137.83 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 123.416 0.447 . . . . 53.119999999999997 110.671 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 p -104.55 -52.91 2.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.996 0.918 . . . . 73.129999999999995 109.517 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.51 139.86 42.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.162 0.585 . . . . 62.109999999999999 110.474 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.46 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.8 m-20 -71.55 -36.57 71.0 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.571 0.748 . . . . 74.409999999999997 110.098 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.22 -34.93 79.54 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.215 -0.902 . . . . 74.310000000000002 110.708 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.9 tt0 -73.95 -33.38 63.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.691 1.196 . . . . 72.150000000000006 109.894 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.07 -49.6 77.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.769 0.428 . . . . 45.130000000000003 110.612 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.419 HD11 ' HE2' ' A' ' 17' ' ' LYS . 79.4 mt -56.69 -44.82 81.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.923 0.889 . . . . 74.430000000000007 111.524 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 19.4 ptmt -75.43 -29.33 59.69 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.083 -0.508 . . . . 75.329999999999998 111.633 -172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.2 mm -72.47 -32.0 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 117.772 0.26 . . . . 71.420000000000002 110.404 176.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.6 t -62.56 -39.5 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 109.72 -0.474 . . . . 65.340000000000003 109.72 172.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.3 -41.63 97.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.4 0.68 . . . . 53.030000000000001 110.382 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 35.7 mm-40 -63.67 -44.72 92.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.657 0.783 . . . . 72.140000000000001 111.236 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 11.8 m-30 -60.6 -46.47 90.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.164 0.986 . . . . 71.420000000000002 112.578 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.557 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.3 mtm -68.03 -31.19 70.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.488 0.715 . . . . 71.450000000000003 111.655 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.42 -47.45 67.22 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.591 0.557 . . . . 73.530000000000001 110.862 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -65.23 -42.38 93.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.344 0.658 . . . . 62.25 110.171 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.82 88.77 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.922 0.889 . . . . 33.219999999999999 110.905 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.06 0 CA-C-N 114.823 -1.08 . . . . 54.409999999999997 112.915 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 18.9 ptpt . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 108.83 -0.804 . . . . 72.140000000000001 108.83 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.6 mt -105.23 122.61 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 109.045 -0.724 . . . . 71.219999999999999 109.045 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' VAL . 69.1 mt -105.59 111.25 23.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.185 0.594 . . . . 45.140000000000001 109.437 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' A' ' 120' ' ' PHE . 21.9 mm -89.02 99.41 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 107.046 -1.465 . . . . 74.319999999999993 107.046 172.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.2 111.52 23.19 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 106.591 -1.633 . . . . 72.519999999999996 106.591 -174.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.61 124.35 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.045 0.538 . . . . 43.32 109.714 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.4 t30 -113.33 114.83 27.2 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.9 -1.148 . . . . 61.530000000000001 107.9 174.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -123.4 146.94 47.59 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.36 0.664 . . . . 73.010000000000005 110.632 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.19 -36.9 22.47 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.022 -0.535 . . . . 72.510000000000005 110.213 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.582 ' HB2' HD23 ' A' ' 14' ' ' LEU . 77.3 m-20 -98.44 131.85 44.37 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.06 -0.973 . . . . 72.230000000000004 111.228 -167.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.35 -29.81 70.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.476 1.111 . . . . 71.019999999999996 111.9 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.51 -49.47 64.73 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.784 0.834 . . . . 71.430000000000007 111.134 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -67.24 -30.11 69.93 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 116.141 -0.481 . . . . 75.129999999999995 111.798 -172.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 37.0 mt -57.06 -60.18 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-O 120.947 0.404 . . . . 73.239999999999995 110.004 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -69.67 -37.03 76.52 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.53 -0.759 . . . . 73.549999999999997 112.472 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.4 mtpt -74.29 -40.99 61.91 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.191 0.596 . . . . 75.140000000000001 112.202 -176.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG23 HG11 ' A' ' 117' ' ' VAL . 83.0 mt -61.54 -38.62 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 109.514 -0.55 . . . . 72.329999999999998 109.514 174.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG2' HG21 ' A' ' 29' ' ' VAL . 56.4 mtmt -59.32 -35.65 74.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.283 0.364 . . . . 63.109999999999999 111.652 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.96 -54.3 28.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.736 0.414 . . . . 63.329999999999998 110.43 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.7 mm-40 -46.68 -52.29 14.15 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.727 1.211 . . . . 74.019999999999996 112.715 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.646 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 m -87.21 -11.84 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.129 -0.941 . . . . 74.040000000000006 112.026 -170.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.0 -45.7 86.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.423 0.689 . . . . 55.140000000000001 110.311 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.45 -31.14 71.7 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.825 -1.08 . . . . 55.399999999999999 110.747 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -91.58 -1.86 57.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.889 0.875 . . . . 74.519999999999996 112.081 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.75 29.19 69.72 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.835 1.094 . . . . 70.430000000000007 115.835 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.646 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.4 m-85 -90.06 112.77 24.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 117.704 0.752 . . . . 74.409999999999997 109.231 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB2' HD13 ' A' ' 54' ' ' ILE . 54.7 mt-30 -70.93 104.32 2.92 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.827 0.851 . . . . 61.299999999999997 109.81 -175.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' HG2' ' A' ' 19' ' ' LYS . 48.7 t -79.35 134.44 27.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.934 0.397 . . . . 75.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -119.95 107.92 13.7 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.405 -1.702 . . . . 64.049999999999997 106.405 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.77 119.85 24.4 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.529 -0.545 . . . . 61.229999999999997 109.529 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.66 HG12 HD13 ' A' ' 63' ' ' LEU . 98.7 t -111.73 112.49 40.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 N-CA-C 108.16 -1.052 . . . . 71.349999999999994 108.16 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -105.55 -28.49 10.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.079 0.952 . . . . 75.299999999999997 110.562 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -139.5 162.22 35.6 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.561 0.744 . . . . 64.219999999999999 110.211 -168.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -48.81 -45.6 40.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.92 1.288 . . . . 60.210000000000001 112.736 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 1.5 m-20 -57.27 -49.29 76.52 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.142 0.577 . . . . 74.530000000000001 110.227 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 30.3 mm-40 -55.62 -43.01 75.74 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 124.256 0.973 . . . . 71.109999999999999 110.468 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 42' ' ' MET . 6.5 tt -54.97 -56.97 13.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.903 0.881 . . . . 72.109999999999999 109.959 173.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 56.6 mtpt -58.86 -33.55 70.58 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.948 -1.024 . . . . 64.010000000000005 111.282 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 75.7 mmtt -68.42 -52.42 33.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.464 0.705 . . . . 74.150000000000006 110.629 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.2 mm-40 -72.14 -31.82 66.33 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.096 -0.502 . . . . 73.530000000000001 111.837 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.1 mmm -70.59 -24.34 62.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.847 0.459 . . . . 74.120000000000005 111.197 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.0 mmtp -64.9 -44.63 88.94 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.971 -0.381 . . . . 73.430000000000007 109.971 171.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.88 -30.21 70.77 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.662 0.601 . . . . 74.209999999999994 111.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 54' ' ' ILE . 66.9 mt -70.62 -47.0 62.3 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.994 -0.373 . . . . 65.150000000000006 109.994 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 123.846 0.859 . . . . 44.340000000000003 113.066 -175.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 C--O 1.239 0.523 0 N-CA-C 107.406 -1.331 . . . . 75.219999999999999 107.406 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 45' ' ' LEU . 40.9 mm -101.09 115.48 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.835 -0.802 . . . . 61.140000000000001 108.835 -175.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -94.13 121.33 35.51 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 107.349 -1.352 . . . . 74.409999999999997 107.349 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.743 HG21 ' SD ' ' A' ' 67' ' ' MET . 17.9 mm -100.24 133.35 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 108.236 -1.024 . . . . 61.310000000000002 108.236 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' ILE . 62.8 mt -105.83 123.99 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.465 -0.939 . . . . 74.129999999999995 108.465 169.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.5 t -122.08 124.31 43.62 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 107.869 -1.159 . . . . 74.209999999999994 107.869 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.81 -5.99 54.89 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 120.996 0.427 . . . . 70.400000000000006 110.089 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' HD12 ' A' ' 63' ' ' LEU . 32.4 t70 -133.85 143.33 48.26 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.233 0.457 . . . . 64.030000000000001 112.233 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -69.59 -37.01 76.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.982 0.913 . . . . 73.340000000000003 112.48 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 7.4 tp60 -65.07 -41.22 95.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.382 -0.599 . . . . 75.409999999999997 109.382 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 32' ' ' VAL . 96.0 mt -56.97 -50.67 71.97 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.675 -0.693 . . . . 72.219999999999999 110.376 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 80' ' ' LEU . 9.8 tt -56.9 -44.09 81.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 116.013 -0.54 . . . . 64.310000000000002 111.462 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 9.0 mtpm? -58.07 -57.44 12.81 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.084 0.954 . . . . 53.32 111.8 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.3 mm-40 -60.57 -43.11 97.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.498 -0.774 . . . . 72.420000000000002 110.423 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.743 ' SD ' HG21 ' A' ' 56' ' ' ILE . 11.1 ttp -59.25 -47.74 84.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.626 -1.17 . . . . 60.119999999999997 111.52 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 71' ' ' ILE . 56.5 mt -66.1 -31.94 73.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.835 0.454 . . . . 75.310000000000002 111.635 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -41.54 96.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.324 0.65 . . . . 63.210000000000001 109.622 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 89.8 mt -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.706 -1.134 . . . . 63.210000000000001 111.093 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 68' ' ' LEU . 91.0 mt -64.75 -34.23 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.539 0.736 . . . . 63.039999999999999 110.403 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -61.21 -33.13 72.98 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.779 0.831 . . . . 65.120000000000005 110.301 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -75.84 -44.77 39.31 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.594 0.757 . . . . 72.310000000000002 110.872 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.1 mt -69.14 -33.36 73.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.443 0.697 . . . . 63.100000000000001 112.293 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 68.87 1.44 Allowed Glycine 0 C--N 1.347 1.159 0 O-C-N 123.371 0.419 . . . . 71.140000000000001 113.519 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -126.08 148.85 49.25 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.318 0.647 . . . . 71.219999999999999 111.119 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -80.36 113.18 18.35 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.966 -1.124 . . . . 53.509999999999998 107.966 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 4' ' ' LEU . 66.3 t -103.93 135.59 40.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.731 0.813 . . . . 74.319999999999993 110.727 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.443 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 89.9 m-85 -106.15 113.97 27.83 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.441 -1.689 . . . . 75.299999999999997 106.441 163.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD23 HG22 ' A' ' 104' ' ' VAL . 62.8 tp -100.54 127.16 46.99 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.763 0.425 . . . . 61.350000000000001 110.236 -176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 22.2 tp -107.83 115.41 30.08 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.409 1.084 . . . . 70.299999999999997 108.358 166.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.98 112.17 24.46 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 107.717 -1.216 . . . . 71.439999999999998 107.717 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.64 103.95 14.78 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.991 -1.115 . . . . 63.439999999999998 107.991 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.18 118.81 23.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.85 -1.537 . . . . 74.209999999999994 106.85 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -68.03 -22.71 64.95 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.192 0.932 . . . . 74.340000000000003 110.059 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -98.9 115.05 27.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.361 -1.348 . . . . 63.509999999999998 107.361 171.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -85.84 6.63 27.29 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.34 0.867 . . . . 72.329999999999998 113.34 -173.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.68 -33.67 25.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.238 -1.023 . . . . 72.120000000000005 108.238 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.67 -50.58 62.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.53 0.732 . . . . 74.0 109.887 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.603 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 39.7 tp -57.34 -54.42 46.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.442 1.089 . . . . 73.540000000000006 111.656 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.43 -54.21 43.57 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.071 0.548 . . . . 75.109999999999999 112.375 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -57.42 -40.74 78.98 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.933 0.771 . . . . 74.109999999999999 112.336 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -75.42 -37.13 60.61 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.756 0.422 . . . . 74.239999999999995 110.071 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -63.34 -53.6 50.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.662 1.185 . . . . 74.420000000000002 111.773 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -58.5 -32.6 68.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.305 0.642 . . . . 65.150000000000006 112.278 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.27 -51.76 58.68 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.438 0.637 . . . . 70.400000000000006 110.969 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.553 HG22 ' HB2' ' A' ' 102' ' ' TYR . 63.8 mt -77.77 -30.01 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 114.956 -1.02 . . . . 65.510000000000005 111.862 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.45 -21.89 55.31 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.514 0.725 . . . . 64.420000000000002 110.162 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -76.63 -20.4 56.75 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.285 0.634 . . . . 41.420000000000002 110.879 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -86.69 8.65 21.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.646 0.778 . . . . 73.420000000000002 111.036 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.36 18.16 72.05 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 114.052 0.381 . . . . 74.310000000000002 114.052 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.7 m-85 -94.59 131.74 40.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.078 0.551 . . . . 75.439999999999998 109.746 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -72.39 99.95 2.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.594 0.757 . . . . 70.129999999999995 109.524 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.587 HG22 HD23 ' A' ' 80' ' ' LEU . 19.3 t -99.02 125.49 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 109.899 -0.408 . . . . 74.120000000000005 109.899 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 148.49 28.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.979 -0.748 . . . . 75.129999999999995 108.979 174.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -96.38 147.57 23.68 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.787 0.835 . . . . 65.409999999999997 110.757 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -166.76 149.61 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.45 0.7 . . . . 63.100000000000001 110.59 163.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.3 p -120.08 -39.67 2.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.662 1.185 . . . . 74.5 109.482 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.56 148.41 35.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.67 0.788 . . . . 61.530000000000001 110.748 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.62 -46.63 21.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.892 0.877 . . . . 73.219999999999999 110.044 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.62 -41.5 96.15 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.413 -0.812 . . . . 72.109999999999999 109.962 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 116' ' ' ILE . 25.2 tt0 -68.63 -36.65 78.9 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 115.865 -0.607 . . . . 55.229999999999997 111.087 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.99 -44.79 71.12 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.851 0.46 . . . . 64.019999999999996 111.741 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' HE2' ' A' ' 17' ' ' LYS . 75.4 mt -60.16 -44.59 94.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 123.649 0.593 . . . . 53.420000000000002 111.401 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 21.0 pttp -77.26 -18.16 57.82 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.001 0.52 . . . . 74.319999999999993 111.478 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.4 mm -79.14 -32.44 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 122.64 0.376 . . . . 75.209999999999994 110.243 170.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.1 t -61.79 -39.81 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.877 0.471 . . . . 71.150000000000006 110.37 174.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.1 ptm180 -71.01 -22.15 62.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.083 -0.508 . . . . 74.109999999999999 111.21 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -64.58 -42.43 95.63 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.765 0.426 . . . . 75.019999999999996 110.006 171.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.585 ' HB3' HD12 ' A' ' 5' ' ' ILE . 27.2 m-85 -66.69 -42.57 86.25 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.71 -0.677 . . . . 75.129999999999995 111.086 175.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.9 mtm -65.29 -30.88 71.79 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.007 0.523 . . . . 62.420000000000002 111.741 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.52 -54.74 31.5 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.766 1.227 . . . . 75.319999999999993 111.0 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -74.58 -31.59 62.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.144 -0.934 . . . . 73.239999999999995 111.529 -172.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.27 64.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.799 0.839 . . . . 73.510000000000005 110.305 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.263 0 O-C-N 123.486 0.491 . . . . 74.129999999999995 112.146 171.413 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.801 0.334 . . . . 73.239999999999995 110.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.683 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 44.2 mt -94.85 138.77 20.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.971 0.909 . . . . 64.420000000000002 108.869 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -110.3 116.35 31.32 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.688 0.795 . . . . 74.310000000000002 109.999 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 29.8 mm -89.02 106.66 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 107.659 -1.237 . . . . 54.420000000000002 107.659 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.677 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -94.25 126.78 39.71 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.822 -1.177 . . . . 61.299999999999997 107.822 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 55' ' ' LEU . 70.6 mt -129.55 126.33 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 108.705 -0.85 . . . . 61.530000000000001 108.705 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 64' ' ' LEU . 5.4 t30 -118.45 119.54 34.89 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.161 -1.052 . . . . 63.43 108.161 173.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 14' ' ' LEU . 8.0 t -124.95 142.77 51.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.306 -0.628 . . . . 60.530000000000001 109.306 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -88.71 -9.22 52.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.956 -0.565 . . . . 65.420000000000002 110.527 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -110.64 113.9 26.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.228 1.011 . . . . 61.109999999999999 109.588 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.34 -15.89 58.76 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.495 1.118 . . . . 54.409999999999997 112.933 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -56.83 -42.1 79.01 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.483 0.49 . . . . 73.420000000000002 110.411 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 9' ' ' THR . 3.9 mm? -64.4 -31.73 73.05 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.144 -0.48 . . . . 62.219999999999999 112.125 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' HE3' ' A' ' 19' ' ' LYS . 36.2 mt -62.44 -57.44 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.574 -0.528 . . . . 52.030000000000001 109.574 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -64.97 -36.51 84.62 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.331 -0.849 . . . . 62.399999999999999 111.705 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -68.52 -50.21 53.84 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.221 0.609 . . . . 72.140000000000001 111.928 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.89 -32.18 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.499 0.72 . . . . 72.540000000000006 110.777 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.636 ' HG2' HG11 ' A' ' 29' ' ' VAL . 97.3 mttt -58.47 -36.36 73.6 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.801 0.44 . . . . 61.210000000000001 111.582 174.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -75.6 -47.07 28.19 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.627 -0.508 . . . . 51.520000000000003 109.627 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.45 -53.6 35.39 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.279 1.031 . . . . 73.109999999999999 112.957 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 55' ' ' LEU . 11.6 m -88.29 -2.13 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 115.865 -0.607 . . . . 74.430000000000007 111.91 -172.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.97 -41.29 97.6 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.046 -0.724 . . . . 72.040000000000006 109.046 166.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -68.98 -13.02 62.21 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.762 -1.108 . . . . 74.030000000000001 111.562 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.27 -4.72 17.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.549 0.74 . . . . 75.109999999999999 111.363 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.62 30.19 75.98 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.956 0.742 . . . . 74.5 114.956 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -98.14 121.15 39.72 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.359 -0.978 . . . . 72.430000000000007 108.359 173.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.68 113.9 12.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.564 0.54 . . . . 72.25 110.294 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 19' ' ' LYS . 2.8 t -85.56 128.53 39.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.456 -0.793 . . . . 74.040000000000006 110.48 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -128.77 149.16 50.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.684 1.194 . . . . 64.239999999999995 108.339 168.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.09 132.07 27.78 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.883 0.873 . . . . 72.510000000000005 109.155 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.66 120.24 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.465 0.706 . . . . 74.329999999999998 109.628 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -100.29 -24.16 14.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.406 1.082 . . . . 74.230000000000004 111.22 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.23 142.47 50.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.94 0.496 . . . . 75.209999999999994 110.617 -168.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 m -65.62 -38.64 89.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.745 0.818 . . . . 73.129999999999995 112.384 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.04 -37.3 84.41 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.582 0.753 . . . . 44.219999999999999 110.516 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 35.5 mm-40 -71.47 -42.36 68.22 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.122 -0.944 . . . . 72.030000000000001 110.236 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.27 -56.28 13.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.592 1.157 . . . . 73.129999999999995 111.499 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.94 -37.55 79.87 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.133 0.896 . . . . 74.340000000000003 111.202 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.621 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 34.4 mtmm -71.78 -32.7 67.93 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.971 -0.558 . . . . 64.420000000000002 111.856 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . 30.3 mt-10 -85.02 -19.26 32.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.157 0.583 . . . . 44.399999999999999 111.62 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.451 ' HE2' HD12 ' A' ' 45' ' ' LEU . 9.6 mmt -68.32 -31.79 71.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.735 0.414 . . . . 62.439999999999998 109.994 167.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HE3' ' HA ' ' A' ' 40' ' ' LYS . 9.4 mtmp? -71.21 -45.52 63.15 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.741 -0.663 . . . . 72.129999999999995 109.228 172.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 4.1 mmmp? -52.49 -41.21 63.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.296 1.038 . . . . 62.5 112.769 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD12 ' HE2' ' A' ' 42' ' ' MET . 88.4 mt -62.96 -36.96 85.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.819 0.448 . . . . 60.140000000000001 111.586 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 123.859 0.864 . . . . 55.140000000000001 112.783 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 63.0 mmtt . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.056 -0.72 . . . . 64.439999999999998 109.056 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -110.44 131.44 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.74 -0.467 . . . . 74.310000000000002 109.74 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD21 HD12 ' A' ' 7' ' ' ILE . 7.6 tt -102.06 122.63 44.46 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 107.482 -1.303 . . . . 70.200000000000003 107.482 174.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.677 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.3 mm -108.46 122.87 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.039 -0.726 . . . . 71.219999999999999 109.039 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.9 mt -105.31 144.78 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.654 0.781 . . . . 73.129999999999995 109.42 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.1 t -142.64 154.38 44.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.806 0.843 . . . . 63.229999999999997 108.868 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' ND2' HD11 ' A' ' 15' ' ' ILE . 21.6 m120 -94.94 -26.11 16.26 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.269 0.557 . . . . 74.310000000000002 110.116 172.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -108.37 125.54 51.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.978 -1.01 . . . . 71.010000000000005 109.615 -167.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 49.9 mtmt -72.95 -24.48 60.8 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.14 -0.937 . . . . 54.119999999999997 112.372 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.3 -39.05 65.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.837 0.455 . . . . 72.439999999999998 109.824 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -58.11 -47.08 84.36 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 116.005 -0.543 . . . . 71.319999999999993 109.598 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 80' ' ' LEU . 7.3 tt -54.99 -43.47 73.58 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.751 -1.113 . . . . 61.229999999999997 111.753 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.75 -58.57 7.26 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.683 0.614 . . . . 75.109999999999999 111.193 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.21 -40.06 84.62 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.949 0.781 . . . . 52.420000000000002 111.12 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.5 tpp -53.3 -57.35 10.85 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.209 1.404 . . . . 71.430000000000007 110.456 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 71' ' ' ILE . 82.1 mt -67.37 -34.38 77.17 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.359 0.663 . . . . 74.430000000000007 112.652 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.72 -38.27 86.36 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.6 0.563 . . . . 61.119999999999997 110.819 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -73.94 -33.82 64.07 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.737 -0.665 . . . . 75.329999999999998 111.08 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.57 HD12 HD23 ' A' ' 68' ' ' LEU . 94.8 mt -65.25 -32.21 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.255 0.622 . . . . 64.349999999999994 110.512 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -63.68 -33.12 74.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.413 0.685 . . . . 72.010000000000005 110.479 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -77.77 -32.29 52.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.729 -0.669 . . . . 60.25 110.6 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 46' ' ' ALA . 81.1 mt -69.27 -33.79 73.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.375 0.67 . . . . 74.349999999999994 110.682 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.96 57.75 3.16 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.786 0.679 . . . . 72.510000000000005 112.435 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.96 154.72 38.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.028 0.531 . . . . 73.430000000000007 110.24 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -80.77 126.89 31.87 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.264 0.626 . . . . 70.310000000000002 109.99 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -107.46 132.71 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.888 0.475 . . . . 62.43 110.293 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.415 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 74.6 m-85 -114.79 114.16 25.2 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 107.079 -1.452 . . . . 75.510000000000005 107.079 165.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 64' ' ' LEU . 40.8 tp -109.15 132.76 53.81 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.409 0.684 . . . . 75.019999999999996 111.753 -168.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 29.0 tp -118.86 117.33 28.57 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.43 1.092 . . . . 52.0 108.688 174.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.87 112.15 24.24 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.841 0.456 . . . . 74.420000000000002 110.01 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 53.1 tt0 -101.53 105.1 16.03 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.08 -1.082 . . . . 74.540000000000006 108.08 173.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB3' HD22 ' A' ' 90' ' ' LEU . 22.0 t70 -153.87 129.96 10.34 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.321 -0.992 . . . . 71.409999999999997 108.321 -176.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -84.75 -14.0 49.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.277 0.631 . . . . 71.329999999999998 111.967 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.98 69.91 6.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.583 -0.895 . . . . 74.409999999999997 108.583 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 42.5 mt-10 -57.14 -19.19 18.65 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.977 1.103 . . . . 75.319999999999993 113.977 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.43 -54.12 41.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 70.409999999999997 109.905 172.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.22 -41.33 77.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.363 -0.835 . . . . 74.230000000000004 110.17 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 49.8 tp -65.44 -31.03 71.9 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 124.525 1.13 . . . . 74.219999999999999 111.846 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -66.64 -48.45 69.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.535 -0.543 . . . . 73.200000000000003 109.535 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.42 -47.99 81.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.768 -1.105 . . . . 71.319999999999993 110.323 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 71.1 t80 -58.72 -42.89 89.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.497 -1.229 . . . . 75.430000000000007 110.784 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.9 -51.97 64.88 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.913 -1.04 . . . . 51.109999999999999 110.691 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -60.26 -31.57 70.34 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.845 0.716 . . . . 75.420000000000002 112.007 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -57.65 -50.34 73.5 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.436 0.636 . . . . 74.340000000000003 110.156 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.7 mt -80.19 -27.56 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 114.339 -1.3 . . . . 73.510000000000005 111.598 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -73.3 -32.7 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.051 0.94 . . . . 72.340000000000003 109.539 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -74.32 -14.53 60.9 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.506 0.722 . . . . 35.109999999999999 110.967 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -86.24 9.74 16.77 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.624 0.769 . . . . 73.209999999999994 111.399 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.31 21.77 78.47 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 122.862 0.268 . . . . 71.510000000000005 113.69 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -96.11 144.98 25.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.884 0.474 . . . . 64.519999999999996 110.701 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -76.46 100.3 5.19 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.447 -0.945 . . . . 74.310000000000002 108.447 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.71 114.74 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.166 -0.309 . . . . 75.319999999999993 110.166 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.2 tpm_? -101.34 143.89 30.83 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.456 0.702 . . . . 74.200000000000003 109.558 174.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -95.94 145.17 25.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 123.754 0.822 . . . . 71.120000000000005 108.893 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 13.1 p -153.88 147.68 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.089 -0.708 . . . . 74.349999999999994 109.089 173.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.7 p -119.8 -28.91 5.12 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.416 0.686 . . . . 75.200000000000003 110.411 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.06 144.35 25.34 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.673 0.789 . . . . 71.319999999999993 110.885 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.57 -44.67 33.67 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.122 1.369 . . . . 73.200000000000003 110.93 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.85 -37.14 78.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.269 -0.878 . . . . 64.420000000000002 109.808 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 8.5 tp10 -61.36 -47.94 83.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.833 -1.076 . . . . 74.219999999999999 110.358 175.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.64 -44.97 66.46 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.212 0.945 . . . . 60.399999999999999 112.172 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.13 -39.58 69.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.809 0.844 . . . . 71.230000000000004 111.854 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -77.15 -32.72 56.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.404 -0.816 . . . . 73.510000000000005 111.316 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.668 HG21 ' HG2' ' A' ' 105' ' ' ARG . 24.2 mm -69.56 -30.99 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.491 0.186 . . . . 75.450000000000003 110.511 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.2 t -57.03 -38.82 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 123.014 0.526 . . . . 65.409999999999997 109.946 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -59.41 -38.76 81.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.124 -0.944 . . . . 73.420000000000002 111.358 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.87 -55.1 38.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.981 0.801 . . . . 75.299999999999997 111.071 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 27.4 m-85 -55.3 -47.79 75.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.009 0.818 . . . . 70.439999999999998 112.894 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.02 -38.88 92.7 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.263 0.977 . . . . 71.230000000000004 111.737 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -70.38 -41.47 73.03 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.581 0.752 . . . . 62.210000000000001 111.464 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.58 -41.83 68.53 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.693 0.797 . . . . 64.209999999999994 109.72 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.67 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.79 0.836 . . . . 71.0 111.077 172.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.26 0 CA-C-N 115.041 -0.981 . . . . 14.33 112.131 177.644 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 pttt . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.189 0.518 . . . . 64.230000000000004 111.358 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 77' ' ' LYS . 79.8 mt -107.83 133.63 52.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-N 114.893 -1.049 . . . . 62.520000000000003 108.833 177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.75 117.58 34.56 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.542 0.737 . . . . 74.150000000000006 109.541 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.18 103.46 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.667 -1.235 . . . . 74.329999999999998 107.667 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.42 126.69 36.59 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 106.781 -1.563 . . . . 62.049999999999997 106.781 -177.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.406 HD12 HD21 ' A' ' 55' ' ' LEU . 63.8 mt -131.32 125.31 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 121.218 0.532 . . . . 74.510000000000005 110.243 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.38 116.31 28.71 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.938 -1.504 . . . . 64.450000000000003 106.938 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.4 t -119.93 145.01 47.13 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.914 -0.773 . . . . 73.310000000000002 108.914 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.05 -28.19 54.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.633 0.773 . . . . 54.299999999999997 109.9 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -97.68 138.15 35.51 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.37 -0.832 . . . . 74.530000000000001 111.698 -170.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.59 -33.39 71.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.655 1.182 . . . . 74.329999999999998 110.956 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -39.56 81.38 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.504 -0.771 . . . . 75.409999999999997 110.728 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.4 mm? -67.75 -23.45 65.25 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.38 0.511 . . . . 62.530000000000001 112.38 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 57' ' ' ILE . 68.6 mt -57.24 -58.39 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 O-C-N 123.415 0.447 . . . . 73.230000000000004 109.862 171.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -71.84 -33.73 68.71 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.236 0.615 . . . . 53.030000000000001 112.425 -174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.83 -44.38 66.61 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.038 0.535 . . . . 64.519999999999996 111.2 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 22' ' ' VAL . 66.1 mt -61.55 -39.82 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 123.823 0.702 . . . . 73.439999999999998 109.499 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG2' HG21 ' A' ' 29' ' ' VAL . 96.8 mttt -56.49 -38.63 72.02 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 123.332 0.395 . . . . 72.349999999999994 111.645 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.8 mmpt? -68.72 -49.76 56.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.293 0.37 . . . . 72.239999999999995 111.207 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.3 mm-40 -50.39 -47.37 56.4 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.587 0.755 . . . . 75.319999999999993 112.001 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.568 HG12 ' SD ' ' A' ' 121' ' ' MET . 5.2 m -83.73 -21.25 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.268 0.627 . . . . 65.040000000000006 112.588 -173.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 36.9 tt0 -62.77 -39.17 93.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.786 0.835 . . . . 70.200000000000003 110.172 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -83.88 -1.58 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.165 -0.925 . . . . 54.049999999999997 111.74 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 32.2 mm-40 -110.17 -3.4 16.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.354 0.662 . . . . 64.099999999999994 111.754 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.24 32.81 55.19 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 114.28 0.472 . . . . 71.25 114.28 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 22.1 m-85 -109.63 109.32 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.678 0.791 . . . . 74.120000000000005 109.366 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -83.12 114.28 21.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.269 1.028 . . . . 74.340000000000003 110.936 -169.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HG2' ' A' ' 19' ' ' LYS . 44.5 t -81.96 141.4 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.23 0.612 . . . . 51.130000000000003 111.172 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB2' HD13 ' A' ' 56' ' ' ILE . 18.7 mmt85 -125.3 124.57 41.9 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.326 -1.361 . . . . 73.340000000000003 107.326 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -86.18 120.69 27.82 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 108.986 -0.746 . . . . 71.400000000000006 108.986 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.78 114.74 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.883 -1.154 . . . . 71.239999999999995 107.883 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -139.08 15.74 2.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.704 0.802 . . . . 64.329999999999998 110.262 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 21.6 t70 -145.05 150.52 37.01 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.166 -0.679 . . . . 61.039999999999999 109.166 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -55.36 -39.86 70.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.496 1.118 . . . . 71.150000000000006 112.975 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 29.6 m-20 -65.38 -39.42 92.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.108 0.563 . . . . 75.430000000000007 111.315 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 9.4 mm-40 -60.24 -41.51 93.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.347 0.659 . . . . 73.140000000000001 110.115 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.56 -51.52 69.07 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.925 -0.58 . . . . 72.129999999999995 110.902 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -64.18 -24.57 67.72 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.587 0.755 . . . . 62.0 112.109 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 31.8 mmmt -80.18 -55.93 4.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.182 0.593 . . . . 64.319999999999993 110.749 176.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.48 -36.3 76.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.174 0.589 . . . . 74.25 112.465 -169.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.1 mmm -68.65 -28.37 66.83 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.249 0.343 . . . . 73.230000000000004 111.519 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -74.73 -31.34 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.995 -0.526 . . . . 63.329999999999998 110.88 173.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -40.26 95.34 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.25 0.547 . . . . 73.400000000000006 110.21 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.86 -45.29 82.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.467 -1.242 . . . . 73.430000000000007 109.807 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.117 0 C-N-CA 123.953 0.901 . . . . 61.210000000000001 112.722 179.27 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 108.013 -1.106 . . . . 63.43 108.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.85 131.46 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-O 121.184 0.516 . . . . 65.150000000000006 109.784 -167.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 7' ' ' ILE . 8.5 tt -110.1 129.2 55.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.242 -1.392 . . . . 74.219999999999999 107.242 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.593 HG21 ' SD ' ' A' ' 67' ' ' MET . 22.1 mm -110.78 113.73 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.138 -0.69 . . . . 60.229999999999997 109.138 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -91.48 113.72 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.474 -0.936 . . . . 74.230000000000004 108.474 169.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -126.35 117.75 23.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.099 -1.075 . . . . 61.210000000000001 108.099 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -89.93 2.6 54.88 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.48 0.712 . . . . 75.230000000000004 110.531 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.05 120.49 42.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.089 -1.078 . . . . 74.030000000000001 108.089 172.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.91 -21.19 47.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.945 0.498 . . . . 72.349999999999994 112.163 -172.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 7.0 tp60 -68.74 -45.95 70.13 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.361 -0.607 . . . . 72.400000000000006 109.361 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.29 -42.97 87.76 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.037 0.836 . . . . 60.140000000000001 110.191 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 80' ' ' LEU . 6.2 tt -53.83 -47.88 70.47 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.96 0.788 . . . . 75.310000000000002 110.827 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -61.4 -50.28 73.49 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.769 0.828 . . . . 74.140000000000001 111.689 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 22.3 mm-40 -57.13 -47.05 82.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.625 0.726 . . . . 71.409999999999997 110.132 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.593 ' SD ' HG21 ' A' ' 56' ' ' ILE . 6.8 ttp -63.01 -40.84 98.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.447 -1.706 . . . . 75.420000000000002 111.876 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 73.7 mt -66.84 -37.68 84.94 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.62 0.368 . . . . 73.140000000000001 111.439 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.15 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.383 0.427 . . . . 73.329999999999998 110.745 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.23 -47.16 74.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.437 0.695 . . . . 74.010000000000005 110.963 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 67' ' ' MET . 74.1 mt -63.58 -34.29 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 123.69 0.796 . . . . 62.350000000000001 110.376 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -63.68 -41.86 98.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.671 0.788 . . . . 65.019999999999996 110.286 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.78 -25.64 56.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.296 0.638 . . . . 65.319999999999993 110.995 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.2 mt -79.28 -27.14 42.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.435 0.694 . . . . 71.409999999999997 110.872 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 39.89 26.87 Favored Glycine 0 C--N 1.347 1.167 0 C-N-CA 123.405 0.526 . . . . 62.210000000000001 114.344 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.441 ' HB2' HG23 ' A' ' 71' ' ' ILE . 29.0 m-85 -99.08 151.16 21.26 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 117.155 0.478 . . . . 72.329999999999998 110.37 173.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HB2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -70.21 133.89 47.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.518 0.727 . . . . 75.219999999999999 110.113 174.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 71' ' ' ILE . 58.0 t -117.22 121.47 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.216 0.607 . . . . 73.140000000000001 110.076 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -112.43 114.79 27.68 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 106.155 -1.794 . . . . 71.140000000000001 106.155 167.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 104' ' ' VAL . 61.2 tp -115.32 126.81 54.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.907 0.883 . . . . 74.450000000000003 110.581 -168.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 29.5 tp -110.68 116.55 31.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.789 0.836 . . . . 42.210000000000001 109.3 175.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.61 113.05 26.09 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.965 -0.754 . . . . 74.140000000000001 108.965 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 48.8 tt0 -106.01 109.56 21.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.791 0.436 . . . . 74.310000000000002 109.892 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 11.7 t70 -149.19 127.77 12.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.881 -1.155 . . . . 74.420000000000002 107.881 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -81.67 -7.52 59.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.333 0.653 . . . . 63.100000000000001 112.173 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.79 101.12 11.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 106.646 -1.613 . . . . 73.319999999999993 106.646 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 44.2 mt-10 -70.68 -12.96 61.88 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.523 -0.762 . . . . 63.310000000000002 112.778 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.14 -45.32 27.2 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.128 -0.693 . . . . 64.109999999999999 109.128 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.89 -39.9 79.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.189 0.595 . . . . 73.310000000000002 110.227 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 38.8 tp -63.97 -45.19 90.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.518 -1.219 . . . . 75.010000000000005 110.812 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.06 -47.97 82.31 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.774 0.671 . . . . 75.400000000000006 111.574 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.13 -43.47 92.0 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.056 0.847 . . . . 72.019999999999996 111.798 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -76.04 -31.67 58.95 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.904 -0.589 . . . . 74.209999999999994 111.224 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -67.96 -50.21 57.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.909 0.884 . . . . 61.420000000000002 109.468 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.63 -23.44 60.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.507 0.504 . . . . 75.510000000000005 111.457 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.4 -48.0 83.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.222 1.009 . . . . 70.239999999999995 111.004 172.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -86.85 -17.0 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 114.934 -1.03 . . . . 64.439999999999998 110.959 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.29 -34.37 73.66 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.462 0.705 . . . . 73.120000000000005 110.373 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 t -68.15 -23.06 64.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.209 1.004 . . . . 71.109999999999999 111.937 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.72 -20.74 64.41 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.324 0.65 . . . . 62.130000000000003 111.648 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.45 53.03 3.19 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.883 -0.487 . . . . 64.200000000000003 111.883 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -124.45 163.08 22.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.56 0.744 . . . . 72.439999999999998 110.173 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.51 98.04 5.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.395 -1.335 . . . . 75.209999999999994 107.395 164.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 94' ' ' LYS . 15.3 t -114.38 118.39 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 74.400000000000006 108.113 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -112.09 149.68 31.78 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.75 0.42 . . . . 71.319999999999993 110.562 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.98 146.61 24.47 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.114 0.966 . . . . 61.439999999999998 108.747 171.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 p -159.71 140.95 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 123.557 0.743 . . . . 73.430000000000007 110.146 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.0 p -125.12 -30.17 3.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.048 0.939 . . . . 52.340000000000003 110.54 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -90.92 148.1 22.68 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.494 0.718 . . . . 64.049999999999997 110.469 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.51 ' HB2' HD21 ' A' ' 14' ' ' LEU . 3.0 p-10 -72.31 -43.4 64.23 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.298 0.639 . . . . 63.109999999999999 111.697 -172.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 34.3 mt-10 -73.91 -36.24 64.7 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.38 -0.6 . . . . 74.120000000000005 109.38 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.4 tt0 -57.33 -40.18 77.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.354 1.034 . . . . 75.120000000000005 110.395 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.94 -49.92 74.17 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 123.961 0.788 . . . . 65.430000000000007 110.748 175.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 58.0 mt -58.41 -44.78 89.18 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.274 0.984 . . . . 61.140000000000001 110.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 2.9 mmmp? -63.44 -42.7 98.66 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.919 0.888 . . . . 52.049999999999997 111.279 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.1 mm -71.74 -32.9 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 123.506 0.504 . . . . 63.030000000000001 111.296 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 113' ' ' ALA . 45.4 t -63.68 -38.61 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 109.465 -0.569 . . . . 61.420000000000002 109.465 172.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 19.0 mtp180 -76.99 -18.78 57.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.349 0.66 . . . . 51.5 111.428 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -66.6 -54.74 20.25 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 108.477 -0.935 . . . . 74.340000000000003 108.477 164.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 21.8 m-30 -53.89 -47.33 71.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.514 1.126 . . . . 70.540000000000006 112.292 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.568 ' SD ' HG12 ' A' ' 22' ' ' VAL . 72.6 mtm -71.85 -39.18 69.89 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.072 0.858 . . . . 75.450000000000003 111.934 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.1 -43.84 94.13 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.37 0.605 . . . . 70.209999999999994 110.232 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.02 -41.77 63.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.722 -1.126 . . . . 74.319999999999993 110.197 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.86 79.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.341 0.656 . . . . 62.310000000000002 110.672 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.267 0 O-C-N 123.731 0.644 . . . . 72.120000000000005 111.808 176.861 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 108.25 -1.019 . . . . 55.039999999999999 108.25 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.434 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 39.6 mm -93.95 127.23 46.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 109.184 -0.673 . . . . 64.099999999999994 109.184 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.87 112.61 21.31 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.858 -0.793 . . . . 65.129999999999995 108.858 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 120' ' ' PHE . 24.9 mm -88.4 107.27 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 107.779 -1.193 . . . . 74.230000000000004 107.779 175.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.635 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.33 132.81 38.55 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 107.428 -1.323 . . . . 62.409999999999997 107.428 -179.39 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 81' ' ' LEU . 64.4 mt -134.97 134.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.325 0.65 . . . . 75.230000000000004 109.73 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.457 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 2.5 t-20 -109.96 110.25 21.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.72 -0.844 . . . . 72.200000000000003 108.72 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -128.57 133.78 48.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.978 -1.119 . . . . 73.329999999999998 107.978 163.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -83.58 -5.27 59.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.119 0.968 . . . . 71.329999999999998 110.269 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -109.18 127.28 54.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.242 1.017 . . . . 74.209999999999994 110.558 -174.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.57 -27.49 69.28 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.283 1.033 . . . . 63.509999999999998 112.349 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.56 -45.07 94.61 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.869 0.73 . . . . 62.43 109.841 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.5 mm? -72.73 -28.83 62.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.915 -0.564 . . . . 73.109999999999999 111.95 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.516 HD11 HD21 ' A' ' 59' ' ' ASN . 55.8 mt -59.31 -54.03 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.343 -0.614 . . . . 61.450000000000003 109.343 175.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 20.7 ptmt -72.56 -31.97 65.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.299 -0.864 . . . . 75.129999999999995 112.102 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -69.83 -42.83 73.09 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.877 0.471 . . . . 73.019999999999996 111.108 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.73 -34.86 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.708 0.63 . . . . 53.140000000000001 109.957 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.2 mttt -58.3 -40.1 81.09 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.245 0.341 . . . . 61.100000000000001 111.265 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 1.3 mmmp? -72.89 -44.91 60.74 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.821 0.449 . . . . 73.549999999999997 110.468 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -49.73 -53.46 24.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.356 1.062 . . . . 73.540000000000006 112.372 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 m -84.81 -15.4 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.49 -0.777 . . . . 73.329999999999998 111.638 -171.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.42 -40.58 74.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.549 1.14 . . . . 44.240000000000002 110.2 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -67.49 -35.36 79.0 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.099 -0.955 . . . . 60.25 110.732 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.18 -0.54 56.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.388 0.675 . . . . 75.010000000000005 112.0 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.1 52.22 43.27 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.162 0.825 . . . . 62.210000000000001 115.162 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.3 m-85 -113.95 119.33 36.87 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.762 -0.829 . . . . 64.200000000000003 108.762 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.61 105.81 12.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.337 0.655 . . . . 74.420000000000002 109.773 -175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.11 139.37 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.007 0.432 . . . . 62.109999999999999 110.866 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -125.27 145.54 49.96 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 106.141 -1.8 . . . . 74.230000000000004 106.141 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -125.73 140.04 53.03 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 118.17 0.441 . . . . 74.239999999999995 109.815 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.9 t -131.61 125.26 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.304 1.042 . . . . 72.150000000000006 110.15 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -130.08 10.11 5.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.438 1.095 . . . . 73.049999999999997 111.247 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.97 147.38 28.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.79 0.436 . . . . 74.0 109.959 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 p -59.47 -32.99 70.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.823 1.249 . . . . 75.310000000000002 113.028 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.53 -42.92 86.48 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.17 0.588 . . . . 61.030000000000001 110.193 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.38 -41.82 90.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 123.907 0.754 . . . . 55.329999999999998 110.072 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.13 -51.13 71.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.405 1.082 . . . . 72.310000000000002 111.958 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.45 -33.55 76.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.532 0.733 . . . . 73.120000000000005 111.011 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -66.96 -39.19 87.18 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 115.271 -0.877 . . . . 71.219999999999999 110.932 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -71.44 -27.73 63.48 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.23 0.331 . . . . 62.229999999999997 111.294 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 mmt -70.43 -28.3 64.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.469 0.308 . . . . 63.009999999999998 110.904 173.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.78 -51.66 46.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.229 -0.656 . . . . 63.219999999999999 109.229 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -48.49 77.36 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.281 1.033 . . . . 54.310000000000002 112.658 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.37 -39.3 86.71 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.677 0.791 . . . . 65.230000000000004 110.941 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 123.687 0.795 . . . . 73.099999999999994 111.801 -178.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 35.5 mmtm . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 109.709 -0.478 . . . . 55.009999999999998 109.709 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -108.85 132.39 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.901 -0.777 . . . . 74.409999999999997 108.901 -173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 22' ' ' VAL . 8.3 tt -105.22 129.72 53.53 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.399 -1.334 . . . . 54.299999999999997 107.399 176.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.635 ' HB ' HD22 ' A' ' 6' ' ' LEU . 25.7 mm -117.11 127.29 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.623 -0.881 . . . . 62.420000000000002 108.623 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 15' ' ' ILE . 66.0 mt -110.34 137.67 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.274 1.03 . . . . 71.310000000000002 108.283 173.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.5 t -136.89 122.31 19.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.995 -1.113 . . . . 62.229999999999997 107.995 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.516 HD21 HD11 ' A' ' 15' ' ' ILE . 1.9 m-20 -79.34 -9.78 59.67 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.12 0.568 . . . . 73.150000000000006 111.517 -178.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -113.91 130.21 56.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.855 -0.795 . . . . 61.329999999999998 108.855 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.21 -26.75 61.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.867 0.867 . . . . 72.049999999999997 112.669 -173.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -72.45 -41.89 65.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.908 -0.775 . . . . 74.310000000000002 108.908 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.93 -31.02 72.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.075 0.55 . . . . 71.510000000000005 110.462 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 80' ' ' LEU . 9.0 tt -65.19 -47.97 75.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.457 -0.338 . . . . 61.039999999999999 110.374 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.67 -50.35 74.21 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.174 0.59 . . . . 72.219999999999999 111.203 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.6 -47.27 76.77 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 123.955 0.784 . . . . 75.340000000000003 110.264 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 6' ' ' LEU . 44.6 tpp -52.06 -55.17 22.36 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.694 1.246 . . . . 62.119999999999997 110.512 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.23 -43.45 98.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.613 0.765 . . . . 54.509999999999998 112.328 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.79 -22.46 61.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.651 0.78 . . . . 73.219999999999999 111.005 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.31 -32.07 29.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.783 . . . . 62.109999999999999 111.541 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 67' ' ' MET . 91.2 mt -67.36 -27.99 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 109.371 -0.603 . . . . 52.409999999999997 109.371 173.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -60.83 -33.85 73.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.162 0.985 . . . . 74.140000000000001 110.981 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -73.84 -24.59 59.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.265 0.626 . . . . 74.400000000000006 111.036 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.06 -32.84 16.54 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.201 1.0 . . . . 75.400000000000006 111.572 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.48 1.64 Allowed Glycine 0 C--N 1.351 1.401 0 C-N-CA 123.231 0.443 . . . . 72.0 113.614 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -125.06 146.63 49.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.305 0.642 . . . . 73.019999999999996 110.357 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -79.93 108.72 13.73 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.934 -0.765 . . . . 62.149999999999999 108.934 173.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.6 137.54 24.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.123 -0.944 . . . . 72.319999999999993 110.534 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' HE1' HD12 ' A' ' 3' ' ' ILE . 77.4 m-85 -111.02 114.04 27.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.076 -1.453 . . . . 72.439999999999998 107.076 170.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 64' ' ' LEU . 38.5 tp -104.3 128.97 52.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.945 0.498 . . . . 74.239999999999995 110.867 -173.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB3' HG12 ' A' ' 7' ' ' ILE . 29.1 tp -115.99 112.62 22.08 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.469 1.107 . . . . 72.120000000000005 108.256 171.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -98.83 113.34 25.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.847 -0.797 . . . . 52.039999999999999 108.847 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.413 HE22 ' HG ' ' A' ' 14' ' ' LEU . 49.2 tt0 -102.57 116.9 33.53 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.504 -1.295 . . . . 74.239999999999995 107.504 171.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.483 ' O ' HD22 ' A' ' 90' ' ' LEU . 23.4 t70 -157.0 127.53 6.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.526 -0.916 . . . . 72.219999999999999 108.526 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -78.45 -16.21 57.81 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.936 0.717 . . . . 74.549999999999997 112.936 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -97.11 91.33 5.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.533 -1.284 . . . . 65.099999999999994 107.533 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.8 mt-10 -65.3 -15.01 62.07 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.076 1.139 . . . . 75.409999999999997 114.076 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.66 -50.02 59.93 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.015 -0.735 . . . . 65.200000000000003 109.015 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.18 -45.45 76.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.509 -0.769 . . . . 65.420000000000002 109.594 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 41.4 tp -57.43 -43.04 83.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.584 -1.189 . . . . 65.019999999999996 111.859 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.94 -51.5 54.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.194 0.598 . . . . 74.25 110.584 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -45.77 88.08 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.358 1.036 . . . . 64.319999999999993 111.151 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.75 -37.38 86.21 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.881 -0.599 . . . . 74.209999999999994 110.744 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -63.08 -56.03 20.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.338 1.055 . . . . 72.129999999999995 110.522 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.89 -25.7 65.63 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.96 0.787 . . . . 73.150000000000006 112.545 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.87 -48.25 66.64 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.239 0.615 . . . . 64.219999999999999 110.506 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.42 -29.07 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.726 0.81 . . . . 71.25 110.991 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.61 -40.87 98.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.471 -1.307 . . . . 73.230000000000004 107.471 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -70.91 -24.22 62.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.277 -0.874 . . . . 71.129999999999995 111.856 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -77.01 -3.52 39.45 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.036 0.535 . . . . 73.430000000000007 111.409 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.39 47.07 3.11 Favored Glycine 0 C--N 1.351 1.377 0 C-N-CA 122.654 0.169 . . . . 65.239999999999995 113.12 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -132.34 144.07 50.3 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.546 0.739 . . . . 75.329999999999998 109.936 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.95 97.49 6.06 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.51 -0.922 . . . . 73.109999999999999 108.51 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.71 139.15 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.241 0.616 . . . . 63.32 110.709 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.524 ' HG2' HG21 ' A' ' 116' ' ' ILE . 13.7 tpt180 -124.06 150.12 45.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.611 1.164 . . . . 75.329999999999998 108.693 175.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 56.4 mtpt -98.03 159.58 14.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.644 0.778 . . . . 75.150000000000006 109.62 172.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -165.14 148.4 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.989 0.916 . . . . 61.530000000000001 109.33 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -118.17 -36.73 3.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.961 0.904 . . . . 75.510000000000005 110.499 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.4 139.04 40.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.281 0.632 . . . . 43.039999999999999 109.7 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.0 p-10 -75.97 -33.37 59.77 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.505 0.503 . . . . 63.520000000000003 110.22 176.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.39 -42.55 96.07 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.895 0.747 . . . . 72.239999999999995 109.805 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' HG12 ' A' ' 116' ' ' ILE . 31.1 tt0 -80.2 -31.22 38.71 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.944 -1.026 . . . . 65.430000000000007 110.02 -175.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -51.33 -47.67 62.63 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 123.566 0.746 . . . . 73.209999999999994 110.458 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.516 HD11 ' HE2' ' A' ' 17' ' ' LYS . 56.4 mt -61.7 -39.63 92.14 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.627 1.204 . . . . 64.099999999999994 110.611 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.9 mmpt? -71.77 -25.65 62.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.594 0.758 . . . . 73.430000000000007 111.587 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 105' ' ' ARG . 26.9 mm -81.02 -30.22 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 N-CA-C 109.952 -0.388 . . . . 75.219999999999999 109.952 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 113' ' ' ALA . 39.6 t -61.88 -42.61 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.915 -0.402 . . . . 63.0 109.915 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 9.9 ptm180 -67.41 -25.44 65.94 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.389 0.431 . . . . 73.219999999999999 110.977 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 123.345 0.403 . . . . 55.539999999999999 109.975 173.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 5' ' ' ILE . 33.7 m-85 -59.57 -41.49 90.32 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.384 0.674 . . . . 73.129999999999995 112.114 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.8 mtm -67.48 -28.98 68.31 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.447 0.467 . . . . 71.219999999999999 111.409 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -78.14 -43.01 30.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.489 0.716 . . . . 71.140000000000001 111.477 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.86 -42.68 66.59 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.242 1.017 . . . . 75.120000000000005 111.008 -174.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.79 64.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.813 0.845 . . . . 74.219999999999999 111.081 171.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.535 0 O-C-N 124.46 1.1 . . . . 12.33 113.241 178.545 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? . . . . . 0 C--O 1.242 0.671 0 N-CA-C 109.4 -0.593 . . . . 55.420000000000002 109.4 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -99.73 136.02 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 109.005 -0.739 . . . . 71.230000000000004 109.005 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.6 mt -107.54 117.73 34.86 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.269 0.628 . . . . 60.140000000000001 109.885 -170.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 120' ' ' PHE . 27.5 mm -94.81 104.0 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.708 -1.219 . . . . 51.149999999999999 107.708 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -90.87 129.48 36.91 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.832 -1.544 . . . . 62.109999999999999 106.832 -178.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.56 132.57 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.157 0.583 . . . . 74.140000000000001 110.085 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' SER . 5.4 t30 -120.69 113.59 20.44 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.803 -1.184 . . . . 65.129999999999995 107.803 171.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 4.5 t -125.63 145.58 50.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.023 0.529 . . . . 73.299999999999997 110.377 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -73.53 -26.03 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.465 0.706 . . . . 74.409999999999997 110.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.401 HD22 HD23 ' A' ' 14' ' ' LEU . 83.6 m-20 -109.81 131.01 55.45 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.088 -0.96 . . . . 61.200000000000003 112.121 -166.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.7 -21.8 66.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.006 -0.997 . . . . 73.019999999999996 110.718 170.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.42 -42.51 92.44 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.194 0.598 . . . . 75.340000000000003 110.062 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.1 mm? -74.49 -28.37 60.97 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 119.396 -0.335 . . . . 74.040000000000006 111.321 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.0 mt -58.56 -59.97 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.328 -0.619 . . . . 63.409999999999997 109.328 171.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -63.59 -37.56 87.79 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 123.611 0.569 . . . . 75.540000000000006 111.971 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.0 mtpt -70.68 -50.44 36.52 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 122.53 0.332 . . . . 61.149999999999999 111.875 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.12 -35.4 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 122.926 0.491 . . . . 63.229999999999997 110.69 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG2' HG21 ' A' ' 29' ' ' VAL . 60.8 mtpt -61.87 -37.31 84.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.717 0.407 . . . . 72.409999999999997 111.725 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.49 -49.46 59.52 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.431 0.457 . . . . 71.200000000000003 110.364 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 23.9 mm-40 -45.66 -54.24 8.07 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.562 1.164 . . . . 64.129999999999995 110.971 176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG12 ' SD ' ' A' ' 121' ' ' MET . 10.2 m -84.13 -20.51 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 115.415 -0.811 . . . . 72.030000000000001 112.553 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -68.33 -39.28 81.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.9 0.381 . . . . 72.430000000000007 109.997 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.75 -21.63 65.26 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.528 -0.76 . . . . 61.009999999999998 110.704 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.3 mm-40 -96.53 -7.29 34.96 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.738 0.815 . . . . 73.409999999999997 111.452 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.48 73.75 0.87 Allowed Glycine 0 C--N 1.35 1.315 0 C-N-CA 122.875 0.274 . . . . 33.149999999999999 113.551 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 55.2 m-85 -140.93 116.49 10.19 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.636 1.174 . . . . 74.299999999999997 108.604 174.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HB2' HD13 ' A' ' 54' ' ' ILE . 93.9 mt-30 -72.17 109.2 5.78 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.694 0.397 . . . . 72.099999999999994 110.434 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 19' ' ' LYS . 57.3 t -78.59 137.38 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.835 0.454 . . . . 74.200000000000003 110.067 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HB2' HD13 ' A' ' 56' ' ' ILE . 24.6 mmt85 -122.31 111.48 16.95 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.356 -1.35 . . . . 74.230000000000004 107.356 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.83 117.35 29.69 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.209 -0.663 . . . . 70.450000000000003 109.209 -174.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -120.48 116.72 51.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 124.85 1.26 . . . . 54.0 108.519 -174.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -118.5 -4.66 10.81 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.983 0.913 . . . . 74.439999999999998 110.549 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -139.66 145.04 37.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.631 0.772 . . . . 65.129999999999995 110.775 -170.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 59.3 p -57.5 -42.48 82.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.906 1.282 . . . . 62.130000000000003 112.805 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.9 -28.0 63.21 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.939 0.495 . . . . 73.340000000000003 111.204 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 10.9 mm-40 -80.0 -26.8 39.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.288 0.635 . . . . 74.349999999999994 111.352 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.66 -44.64 93.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.719 . . . . 72.319999999999993 109.47 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 35' ' ' SER . 30.6 mmmt -57.87 -28.64 64.34 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.933 -1.03 . . . . 74.140000000000001 111.422 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 40.9 mmtm -71.06 -60.6 2.14 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.208 0.603 . . . . 64.450000000000003 110.26 174.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -67.6 -28.54 67.84 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.701 1.001 . . . . 71.109999999999999 113.701 -164.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -36.0 82.35 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.782 0.433 . . . . 64.129999999999995 111.23 174.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.25 -38.4 75.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.877 0.471 . . . . 73.540000000000006 109.822 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -64.75 -36.47 84.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.133 0.573 . . . . 73.439999999999998 111.948 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -59.97 -29.85 68.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.102 0.561 . . . . 74.040000000000006 111.88 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 123.414 0.686 . . . . 72.5 111.432 179.701 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.365 -0.605 . . . . 64.209999999999994 109.365 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 28' ' ' GLN . 37.4 mm -119.01 140.8 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.261 0.624 . . . . 74.239999999999995 110.275 -175.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 9.9 tt -109.24 128.4 55.03 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.375 -1.343 . . . . 73.129999999999995 107.375 167.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.604 ' HB ' HD22 ' A' ' 6' ' ' LEU . 11.1 mm -109.25 126.96 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.243 -1.021 . . . . 73.109999999999999 108.243 176.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.1 mt -102.41 121.15 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.708 -0.849 . . . . 75.120000000000005 108.708 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 46.3 t -113.64 130.45 56.39 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.665 -1.605 . . . . 71.450000000000003 106.665 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.411 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -94.34 6.75 47.73 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.234 0.47 . . . . 55.149999999999999 111.353 -179.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.28 146.99 43.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.399 0.518 . . . . 71.099999999999994 112.399 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -68.8 -41.25 78.96 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.797 1.239 . . . . 72.209999999999994 111.81 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -67.08 -46.4 74.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.883 0.873 . . . . 31.309999999999999 109.252 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.77 -49.09 76.31 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.783 -1.099 . . . . 71.230000000000004 110.471 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 80' ' ' LEU . 8.7 tt -55.57 -41.91 73.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.988 0.915 . . . . 74.349999999999994 111.813 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.34 -53.4 49.32 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.511 0.507 . . . . 75.450000000000003 110.895 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -47.74 69.36 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.169 0.918 . . . . 71.430000000000007 110.385 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 6' ' ' LEU . 47.4 ttm -53.04 -51.98 59.98 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.212 1.805 . . . . 73.430000000000007 112.075 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD11 HD22 ' A' ' 80' ' ' LEU . 85.1 mt -64.79 -38.68 91.81 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.713 0.633 . . . . 72.510000000000005 111.962 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -70.38 -28.21 64.92 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.888 0.475 . . . . 72.019999999999996 111.14 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.65 -40.12 56.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.097 0.959 . . . . 53.450000000000003 110.673 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.79 -27.18 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.838 0.855 . . . . 74.299999999999997 110.666 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -64.13 -32.97 74.73 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.638 0.775 . . . . 55.109999999999999 110.1 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -73.62 -37.66 65.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.406 -0.816 . . . . 73.230000000000004 110.199 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.98 -29.07 68.01 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.508 0.723 . . . . 75.0 110.854 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.04 70.59 1.11 Allowed Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.977 -0.556 . . . . 24.129999999999999 113.753 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.16 158.23 36.09 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.48 0.712 . . . . 72.319999999999993 110.463 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.88 118.09 18.29 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.866 -0.79 . . . . 71.340000000000003 108.866 168.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 50.6 t -115.79 122.72 70.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.494 -0.776 . . . . 70.239999999999995 109.684 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -101.23 114.43 28.39 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.658 -1.608 . . . . 71.0 106.658 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 64' ' ' LEU . 48.4 tp -101.52 132.91 46.9 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.07 0.548 . . . . 73.030000000000001 110.508 -175.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 46.8 tp -118.09 113.84 22.2 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.156 0.982 . . . . 70.209999999999994 108.633 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.34 113.35 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.662 0.785 . . . . 75.349999999999994 109.625 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 53.4 tt0 -103.67 118.25 36.27 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.808 -0.812 . . . . 73.420000000000002 108.808 172.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -156.05 138.03 14.49 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.108 -0.701 . . . . 74.230000000000004 109.108 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -79.09 -22.7 44.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.258 0.623 . . . . 73.439999999999998 112.012 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -92.79 90.85 7.2 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.938 -1.134 . . . . 64.400000000000006 107.938 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.7 mt-10 -73.79 -16.79 61.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.876 1.065 . . . . 70.129999999999995 113.876 -165.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.04 -41.85 63.75 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.945 -0.761 . . . . 71.040000000000006 108.945 174.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.08 -36.5 64.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.207 -0.906 . . . . 74.310000000000002 109.994 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 34.3 tp -62.18 -44.36 96.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.436 1.094 . . . . 72.049999999999997 110.794 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.6 -45.98 77.4 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.418 0.687 . . . . 64.340000000000003 110.761 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -56.03 -52.57 63.77 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 123.762 0.664 . . . . 70.439999999999998 111.849 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.24 -38.95 91.2 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.597 0.759 . . . . 72.230000000000004 110.766 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.74 -52.57 62.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.193 0.997 . . . . 75.150000000000006 111.008 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -69.12 -25.92 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.653 0.612 . . . . 72.409999999999997 112.653 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -46.25 90.95 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.025 0.441 . . . . 74.019999999999996 110.017 171.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -81.32 -29.28 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.29 1.036 . . . . 52.310000000000002 111.598 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.01 -41.57 99.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.789 0.835 . . . . 54.140000000000001 109.554 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -70.3 -27.64 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.874 -1.057 . . . . 73.0 111.014 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.51 -17.85 64.82 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.112 0.565 . . . . 52.219999999999999 111.521 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.3 42.45 1.75 Allowed Glycine 0 C--N 1.349 1.286 0 C-N-CA 122.878 0.275 . . . . 64.319999999999993 112.505 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -119.29 138.26 53.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.444 0.698 . . . . 72.219999999999999 109.881 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -82.18 92.94 6.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.307 -0.998 . . . . 71.430000000000007 108.307 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.01 123.76 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.994 0.518 . . . . 63.420000000000002 110.939 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -106.37 152.63 23.33 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.765 0.826 . . . . 63.350000000000001 109.294 167.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 90' ' ' LEU . 38.3 mtmt -102.67 167.76 9.69 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.615 1.166 . . . . 74.349999999999994 109.361 174.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.68 153.35 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.651 0.781 . . . . 65.430000000000007 110.574 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.2 p -123.86 -29.5 3.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.232 1.013 . . . . 70.329999999999998 110.635 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.96 145.33 26.07 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.503 0.721 . . . . 74.120000000000005 111.76 -171.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . 3.6 t70 -61.66 -51.9 66.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.101 1.36 . . . . 74.420000000000002 112.468 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.23 -37.89 72.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 110.979 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.69 -33.4 75.8 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.379 0.425 . . . . 70.109999999999999 110.788 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.88 -47.14 83.61 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.459 0.474 . . . . 63.229999999999997 110.996 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 17' ' ' LYS . 52.0 mt -59.17 -39.58 82.94 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 124.054 0.846 . . . . 72.400000000000006 110.701 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 64.3 mttm -66.38 -44.97 81.65 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 114.745 -1.116 . . . . 71.340000000000003 110.696 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 42.7 mm -66.98 -33.6 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 121.995 0.118 . . . . 74.120000000000005 110.908 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 113' ' ' ALA . 90.2 t -66.92 -44.35 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.807 0.443 . . . . 75.140000000000001 110.626 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -69.55 -25.95 64.26 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.441 -0.207 . . . . 73.340000000000003 110.441 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 32.0 mm-40 -65.58 -53.78 37.07 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.699 -0.482 . . . . 74.430000000000007 109.699 169.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 5' ' ' ILE . 10.3 m-30 -56.03 -40.03 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.37 1.068 . . . . 75.409999999999997 113.128 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.632 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.1 mtm -70.48 -33.25 71.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.108 0.563 . . . . 61.420000000000002 112.006 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.55 -39.01 65.04 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.393 0.677 . . . . 74.530000000000001 110.704 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 62.6 mttm -68.34 -41.43 80.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.637 0.775 . . . . 75.340000000000003 109.77 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.21 -45.14 84.07 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.03 -0.986 . . . . 74.409999999999997 110.257 171.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.294 0 CA-C-N 115.021 -0.991 . . . . 61.340000000000003 113.13 -179.306 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.782 0.325 . . . . 72.129999999999995 110.743 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.435 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.2 mt -93.53 128.68 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.417 -0.957 . . . . 71.140000000000001 108.417 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 43.3 mt -111.41 135.24 52.25 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.855 -0.795 . . . . 54.009999999999998 108.855 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.54 103.36 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 107.319 -1.363 . . . . 62.539999999999999 107.319 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -88.49 115.15 25.8 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.005 -1.48 . . . . 61.240000000000002 107.005 -178.72 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.492 HD12 HD21 ' A' ' 55' ' ' LEU . 68.7 mt -116.89 132.31 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.924 -0.769 . . . . 54.340000000000003 108.924 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.0 t-20 -127.4 114.03 17.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.102 -1.073 . . . . 71.140000000000001 108.102 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -125.41 141.1 52.25 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.139 -1.06 . . . . 42.350000000000001 108.139 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -84.74 -15.62 44.47 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.753 0.787 . . . . 64.540000000000006 109.17 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.9 115.82 25.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 114.51 -1.223 . . . . 54.130000000000003 109.737 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.67 -40.72 93.13 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.65 0.78 . . . . 71.310000000000002 111.494 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.91 -29.91 70.41 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.912 -0.585 . . . . 74.239999999999995 110.978 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.4 mm? -72.6 -26.11 61.57 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.202 -0.427 . . . . 74.430000000000007 111.802 175.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG23 HG21 ' A' ' 57' ' ' ILE . 59.3 mt -63.16 -56.71 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 N-CA-C 109.206 -0.665 . . . . 74.5 109.206 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 22.8 ptmt -62.36 -30.58 71.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.267 0.469 . . . . 72.209999999999994 112.267 -175.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 27.4 mtpp -68.06 -58.92 3.71 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.073 0.549 . . . . 75.439999999999998 111.126 173.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 7' ' ' ILE . 82.3 mt -59.1 -35.07 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.772 0.829 . . . . 74.0 111.565 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.0 mtmt -56.93 -43.46 81.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.84 0.456 . . . . 64.409999999999997 110.714 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.16 -51.55 37.11 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 122.689 0.396 . . . . 72.430000000000007 110.586 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 15.0 mm-40 -48.66 -54.9 12.92 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 124.56 1.162 . . . . 74.049999999999997 112.186 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 m -84.43 -25.95 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.193 -0.912 . . . . 74.439999999999998 112.229 -166.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.3 tm-20 -65.03 -36.35 84.11 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.554 -0.906 . . . . 44.310000000000002 108.554 174.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.3 -27.71 64.61 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.228 -0.896 . . . . 53.439999999999998 111.289 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 27.3 mm-40 -85.4 -0.15 53.95 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.02 0.528 . . . . 75.030000000000001 112.033 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.69 2.31 72.71 Favored Glycine 0 C--N 1.354 1.579 0 N-CA-C 114.701 0.64 . . . . 32.509999999999998 114.701 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -91.71 126.48 36.81 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.586 0.693 . . . . 72.329999999999998 109.685 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -76.11 112.26 12.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.486 0.714 . . . . 72.239999999999995 111.185 -170.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.25 119.62 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.091 0.87 . . . . 63.509999999999998 111.22 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -120.17 146.04 46.38 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.501 1.12 . . . . 64.140000000000001 108.468 170.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.19 118.77 22.94 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.474 -0.935 . . . . 74.120000000000005 108.474 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.92 115.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.714 -0.847 . . . . 53.409999999999997 108.714 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -127.19 13.0 7.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.692 0.797 . . . . 63.32 111.014 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.75 144.69 27.22 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.501 0.72 . . . . 73.400000000000006 110.837 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -41.79 98.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.286 1.034 . . . . 62.240000000000002 113.093 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -33.23 74.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.421 0.288 . . . . 74.150000000000006 111.259 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -63.56 -45.51 90.17 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.32 -0.622 . . . . 51.210000000000001 109.32 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 42' ' ' MET . 7.0 tt -56.9 -59.88 4.4 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.316 1.046 . . . . 63.25 110.947 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 52.4 mtmt -56.25 -39.04 71.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.131 0.972 . . . . 72.310000000000002 111.819 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -63.37 -51.79 64.41 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.703 0.627 . . . . 74.030000000000001 111.382 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.2 pt-20 -79.69 -17.94 52.45 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 119.459 -0.305 . . . . 73.030000000000001 111.692 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.48 -42.82 82.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.925 0.49 . . . . 54.530000000000001 109.935 170.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.7 mmtp -61.54 -43.94 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.435 -0.802 . . . . 71.129999999999995 110.103 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -59.62 -40.09 86.41 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.282 0.989 . . . . 72.329999999999998 112.229 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 90.9 mt -50.7 -44.0 57.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.609 0.568 . . . . 75.299999999999997 111.029 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . . . . . . 0 CA--C 1.549 0.927 0 CA-C-N 114.905 -1.043 . . . . 52.030000000000001 112.625 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 9.2 mptt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.983 0.42 . . . . 71.430000000000007 109.884 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.88 113.97 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.396 -0.82 . . . . 71.420000000000002 109.084 -172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 7' ' ' ILE . 7.7 tt -91.49 123.5 34.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.727 -0.842 . . . . 73.120000000000005 108.727 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 30.2 mm -100.73 140.46 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 108.633 -0.877 . . . . 75.299999999999997 108.633 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 15' ' ' ILE . 67.8 mt -120.56 122.34 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.64 -1.244 . . . . 74.129999999999995 107.64 167.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -131.83 137.94 48.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.885 -1.154 . . . . 72.530000000000001 107.885 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.19 -26.11 21.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.966 0.906 . . . . 63.020000000000003 109.365 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -95.15 133.89 38.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.322 -0.854 . . . . 63.340000000000003 110.457 -168.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.18 -37.77 66.41 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.363 -0.835 . . . . 75.230000000000004 111.497 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.3 -45.78 83.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.711 0.804 . . . . 64.450000000000003 110.467 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.3 -46.66 89.39 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.824 0.702 . . . . 70.329999999999998 110.499 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 80' ' ' LEU . 8.5 tt -52.39 -47.18 66.37 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.798 0.686 . . . . 62.210000000000001 111.389 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -59.66 -53.74 54.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.818 0.847 . . . . 64.420000000000002 111.771 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.36 -42.07 94.98 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.855 0.722 . . . . 72.439999999999998 110.915 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 6' ' ' LEU . 40.0 ttm -56.97 -55.52 33.59 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 124.732 1.27 . . . . 72.209999999999994 111.103 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.26 -37.38 87.27 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.928 0.768 . . . . 74.319999999999993 112.379 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 51.1 mt-10 -70.91 -34.4 71.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.063 0.145 . . . . 73.099999999999994 110.983 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.99 -41.78 81.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.119 0.568 . . . . 70.25 110.745 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 78' ' ' VAL . 97.7 mt -66.67 -30.14 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 123.723 0.809 . . . . 73.040000000000006 110.365 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 t -65.84 -37.84 87.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.485 0.714 . . . . 74.400000000000006 110.542 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 25.7 mmmt -77.6 -12.76 60.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.135 -0.484 . . . . 52.219999999999999 110.83 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 46' ' ' ALA . 90.1 mt -92.42 -36.02 13.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.831 0.852 . . . . 62.119999999999997 110.697 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.53 82.01 0.84 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.803 -0.635 . . . . 74.329999999999998 113.601 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HD2' HG23 ' A' ' 71' ' ' ILE . 58.8 m-85 -133.4 153.12 51.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.609 0.763 . . . . 73.120000000000005 110.365 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.02 104.87 10.88 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.072 -0.714 . . . . 75.409999999999997 109.072 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 4' ' ' LEU . 22.1 t -114.11 131.09 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 122.706 0.402 . . . . 63.140000000000001 110.759 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -101.47 115.73 31.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.21 -1.034 . . . . 74.200000000000003 108.21 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 64' ' ' LEU . 46.4 tp -98.67 134.46 41.56 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.084 0.469 . . . . 60.32 110.896 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 27.9 tp -122.11 125.86 47.12 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.883 0.873 . . . . 73.319999999999993 108.65 171.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.11 116.34 31.36 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.55 -0.908 . . . . 74.319999999999993 108.55 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.71 104.17 15.45 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 72.140000000000001 108.012 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 9.7 m-20 -137.0 117.87 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.621 -1.622 . . . . 62.329999999999998 106.621 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -70.27 -19.33 63.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.188 0.595 . . . . 73.409999999999997 110.454 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -94.55 113.73 25.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.339 -0.985 . . . . 72.120000000000005 108.339 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 33.5 mt-10 -75.93 -7.32 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.217 0.451 . . . . 73.340000000000003 112.217 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -68.88 -48.98 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.975 -0.75 . . . . 55.32 108.975 168.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.92 -37.14 62.13 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.163 -0.926 . . . . 74.340000000000003 110.653 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.62 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 16.1 tp -63.69 -54.36 36.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.708 1.203 . . . . 74.230000000000004 110.788 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.78 -50.52 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.668 0.605 . . . . 75.310000000000002 112.337 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 22.5 mm-40 -53.94 -52.79 59.5 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.627 0.579 . . . . 62.140000000000001 111.815 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 96' ' ' LYS . 30.9 t80 -71.38 -29.01 64.44 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.266 0.626 . . . . 75.420000000000002 111.121 -175.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HG3' HG12 ' A' ' 104' ' ' VAL . 26.0 ttpt -64.45 -58.86 5.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.398 0.679 . . . . 64.409999999999997 110.854 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -64.34 -23.35 67.26 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.93 -1.032 . . . . 55.219999999999999 112.943 -170.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.5 mttm -59.46 -54.39 47.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.748 0.785 . . . . 65.129999999999995 110.702 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mt -86.12 -16.68 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.414 1.086 . . . . 71.400000000000006 110.972 -171.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.88 -38.19 75.34 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.453 1.101 . . . . 73.420000000000002 110.134 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -72.44 -26.05 61.69 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.028 -0.987 . . . . 54.140000000000001 111.27 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -76.08 8.11 3.53 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.052 0.76 . . . . 72.209999999999994 113.052 -176.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.68 -6.84 82.82 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 113.883 0.313 . . . . 71.140000000000001 113.883 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.47 134.5 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.512 0.725 . . . . 74.420000000000002 109.895 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.74 95.31 1.11 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.078 -0.712 . . . . 70.239999999999995 109.078 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 94' ' ' LYS . 20.2 t -99.27 110.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 108.948 -0.76 . . . . 70.120000000000005 108.948 -176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -108.36 154.26 22.1 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.048 0.452 . . . . 73.519999999999996 110.373 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -95.12 157.29 15.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.48 1.112 . . . . 75.430000000000007 110.939 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.3 p -168.16 139.65 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 124.338 1.024 . . . . 75.329999999999998 109.605 161.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 p -107.98 -33.01 7.33 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.729 0.811 . . . . 72.049999999999997 110.218 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.61 146.21 28.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.56 0.744 . . . . 75.120000000000005 111.998 -174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.52 ' HB3' HD21 ' A' ' 14' ' ' LEU . 19.0 m-20 -72.02 -51.56 21.2 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.476 -1.238 . . . . 74.140000000000001 111.137 -176.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.2 -34.86 75.54 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.02 -0.991 . . . . 75.219999999999999 110.494 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 34.9 tt0 -73.46 -31.63 63.89 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.973 -0.537 . . . . 70.319999999999993 110.866 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.18 -43.15 52.26 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.297 0.373 . . . . 54.399999999999999 111.125 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.72 -42.34 98.82 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.267 1.027 . . . . 73.409999999999997 111.025 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.2 -31.41 71.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.252 1.021 . . . . 62.549999999999997 111.228 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 23.1 mm -78.12 -36.81 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.755 -0.461 . . . . 73.200000000000003 109.755 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 113' ' ' ALA . 82.0 t -57.68 -41.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 122.995 0.518 . . . . 72.400000000000006 109.738 172.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -58.18 -39.7 79.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.196 -0.911 . . . . 61.43 111.49 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 76.9 mm-40 -62.59 -47.01 85.67 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.557 0.535 . . . . 74.239999999999995 110.703 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.469 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.3 m-85 -61.37 -42.66 99.07 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.33 0.652 . . . . 73.120000000000005 112.697 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.3 mtm -70.02 -27.83 64.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.383 0.673 . . . . 74.329999999999998 111.254 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -74.88 -36.57 62.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 64.329999999999998 110.962 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 93.9 mttt -71.99 -41.04 68.1 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.339 0.656 . . . . 61.049999999999997 109.566 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.76 88.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.64 0.776 . . . . 75.340000000000003 109.924 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.595 0 O-C-N 124.172 0.92 . . . . 34.420000000000002 112.695 176.717 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttm . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.447 -0.575 . . . . 74.109999999999999 109.447 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.4 mt -103.51 121.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.949 -1.13 . . . . 72.400000000000006 107.949 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 63.8 mt -106.41 107.54 18.6 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.209 -0.663 . . . . 75.450000000000003 109.209 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 120' ' ' PHE . 29.4 mm -83.93 103.28 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.424 -1.325 . . . . 55.549999999999997 107.424 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.01 134.2 35.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.663 -1.606 . . . . 73.099999999999994 106.663 -176.398 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.483 HD12 HD21 ' A' ' 55' ' ' LEU . 68.4 mt -135.7 125.42 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 109.566 -0.531 . . . . 73.510000000000005 109.566 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.3 t-20 -108.04 111.84 24.1 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.407 -0.96 . . . . 72.319999999999993 108.407 169.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 t -127.51 138.11 52.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.985 -1.117 . . . . 75.150000000000006 107.985 166.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -88.07 -9.69 52.51 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.122 0.487 . . . . 71.209999999999994 109.739 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.6 112.37 22.23 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.169 0.988 . . . . 74.340000000000003 109.576 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.1 m-20 -56.69 -34.6 67.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.284 1.034 . . . . 74.140000000000001 111.577 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.61 -47.89 81.8 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.803 -0.635 . . . . 63.43 110.305 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.46 -29.34 69.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.236 -0.411 . . . . 74.329999999999998 111.353 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 57' ' ' ILE . 73.1 mt -60.78 -59.6 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.978 -0.379 . . . . 62.439999999999998 109.978 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -64.1 -34.84 78.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.414 0.686 . . . . 71.140000000000001 112.158 -175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.5 mtpp -69.13 -51.55 37.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.474 0.71 . . . . 73.109999999999999 110.837 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.93 -39.17 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 O-C-N 123.969 0.793 . . . . 61.219999999999999 110.522 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG11 ' A' ' 29' ' ' VAL . 92.9 mttt -51.26 -44.63 61.81 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.608 0.567 . . . . 74.430000000000007 111.331 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.4 mmmm -81.49 -46.3 14.73 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.798 -0.637 . . . . 74.109999999999999 111.742 -173.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 17.0 mm-40 -52.14 -49.95 62.72 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.599 0.76 . . . . 65.150000000000006 112.151 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 55' ' ' LEU . 5.5 m -82.47 -21.09 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.964 0.727 . . . . 73.140000000000001 112.964 -167.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -75.09 -16.27 60.57 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 122.852 0.095 . . . . 72.319999999999993 111.105 178.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -32.4 73.82 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.569 0.543 . . . . 62.25 110.484 169.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -91.64 3.92 53.92 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.802 0.841 . . . . 70.030000000000001 111.877 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.36 39.52 56.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.173 0.429 . . . . 73.239999999999995 114.173 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.55 113.63 26.8 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.745 0.818 . . . . 71.129999999999995 109.076 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.6 109.5 4.34 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 124.05 0.844 . . . . 71.209999999999994 109.372 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 ' HG2' ' A' ' 19' ' ' LYS . 5.2 t -82.82 121.23 35.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.491 -0.777 . . . . 73.430000000000007 109.712 -174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.6 mmp_? -126.85 114.52 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.641 1.176 . . . . 73.219999999999999 107.901 176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -105.47 138.13 42.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.399 -0.593 . . . . 74.530000000000001 109.399 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 63' ' ' LEU . 87.8 t -119.93 116.42 50.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.901 -1.148 . . . . 73.129999999999995 107.901 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -101.66 -19.94 15.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.81 0.844 . . . . 74.319999999999993 110.0 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -147.67 154.74 40.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.905 0.482 . . . . 74.239999999999995 111.036 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 28.3 m -54.47 -33.58 59.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.115 1.366 . . . . 71.140000000000001 113.186 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 17.5 t70 -57.35 -47.36 81.81 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.425 0.69 . . . . 71.5 110.239 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.39 -41.82 88.78 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 114.485 -1.234 . . . . 71.430000000000007 110.615 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.05 -47.24 68.58 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.068 0.855 . . . . 50.329999999999998 111.204 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 35' ' ' SER . 29.1 mtpp -62.81 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.959 0.787 . . . . 72.019999999999996 110.513 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 46.2 mmtm -61.5 -47.68 84.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.63 0.772 . . . . 75.409999999999997 110.84 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -64.63 -41.07 96.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.099 0.96 . . . . 75.120000000000005 111.208 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.469 ' HE1' HG13 ' A' ' 71' ' ' ILE . 9.3 mmt -65.9 -32.82 74.55 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.433 0.693 . . . . 63.450000000000003 112.589 -176.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mmtp -66.13 -38.75 88.92 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 123.515 0.509 . . . . 74.340000000000003 110.372 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -33.32 74.36 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.718 0.807 . . . . 70.530000000000001 110.857 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.01 -35.23 50.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.731 0.812 . . . . 74.340000000000003 110.52 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 124.076 0.95 . . . . 74.140000000000001 111.51 178.079 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.698 0 N-CA-C 107.484 -1.302 . . . . 64.129999999999995 107.484 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 36.7 mm -96.7 132.48 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.79 -0.818 . . . . 62.109999999999999 108.79 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 22' ' ' VAL . 8.1 tt -105.17 117.29 33.62 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.216 -1.031 . . . . 75.230000000000004 108.216 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.2 mm -102.34 112.54 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.989 -0.745 . . . . 75.239999999999995 108.989 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -89.24 133.47 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 107.948 -1.13 . . . . 73.099999999999994 107.948 170.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -133.79 118.62 18.24 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 107.921 -1.141 . . . . 44.130000000000003 107.921 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -83.17 -22.16 33.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.953 0.501 . . . . 64.530000000000001 111.924 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 63' ' ' LEU . 21.8 t70 -105.59 141.07 37.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.862 0.865 . . . . 73.430000000000007 109.264 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -78.06 -31.22 50.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.564 0.746 . . . . 74.409999999999997 111.894 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -69.46 -36.74 76.87 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.959 -0.756 . . . . 74.230000000000004 108.959 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 32' ' ' VAL . 79.2 mt -58.89 -41.45 87.22 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 123.557 0.743 . . . . 75.25 110.968 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 8.0 tt -61.08 -47.58 85.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.693 0.621 . . . . 74.120000000000005 110.596 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.59 -52.02 66.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.592 0.557 . . . . 75.140000000000001 110.975 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.53 -46.71 70.25 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.286 0.991 . . . . 64.409999999999997 110.458 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.9 tpp -55.2 -56.36 20.81 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.525 1.141 . . . . 73.230000000000004 110.549 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 71' ' ' ILE . 74.6 mt -64.15 -35.26 80.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.757 0.823 . . . . 73.319999999999993 112.473 -173.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 43.3 mt-10 -67.08 -40.4 86.98 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.621 0.575 . . . . 64.310000000000002 110.563 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 42' ' ' MET . 82.8 mt -68.61 -32.34 72.14 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.418 0.687 . . . . 71.519999999999996 111.093 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' HE1' ' A' ' 42' ' ' MET . 77.2 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.106 0.563 . . . . 63.340000000000003 110.013 175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -62.0 -33.83 75.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.855 0.462 . . . . 55.200000000000003 110.235 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 75.1 mmtt -68.08 -40.42 82.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.553 . . . . 63.340000000000003 110.692 175.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.74 -74.65 0.21 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 63.420000000000002 110.058 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.15 69.11 0.19 Allowed Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.909 -0.477 . . . . 62.299999999999997 111.909 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -126.86 148.91 49.97 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.91 0.484 . . . . 75.200000000000003 111.649 -176.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.831 0.852 . . . . 71.219999999999999 110.469 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 71' ' ' ILE . 84.5 t -102.36 128.44 55.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 110.58 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.448 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 19.5 m-85 -114.79 114.59 25.77 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 106.293 -1.743 . . . . 63.520000000000003 106.293 170.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 6' ' ' LEU . 41.8 tp -107.14 132.49 52.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.694 0.798 . . . . 74.040000000000006 111.657 -168.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 35.9 tp -108.29 123.02 48.15 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.792 0.837 . . . . 70.230000000000004 109.098 166.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 90' ' ' LEU . 87.6 mt -106.11 113.34 26.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 123.825 0.85 . . . . 73.030000000000001 109.265 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -113.09 112.77 24.4 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.407 0.683 . . . . 74.349999999999994 109.2 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -155.94 143.2 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.522 -0.918 . . . . 71.409999999999997 108.522 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.79 -32.55 65.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.804 0.841 . . . . 71.420000000000002 111.762 -174.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.34 98.5 8.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.222 -0.658 . . . . 64.239999999999995 109.222 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -68.52 -38.39 80.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.059 0.544 . . . . 73.030000000000001 110.932 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.5 -48.19 76.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.598 0.759 . . . . 64.209999999999994 110.89 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.9 -34.97 77.68 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.793 -0.639 . . . . 74.530000000000001 110.17 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 82' ' ' LEU . 22.8 tp -70.82 -32.02 68.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.154 -0.93 . . . . 73.519999999999996 111.061 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 14.5 tp10 -56.78 -52.26 65.71 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.929 0.768 . . . . 51.520000000000003 110.09 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.24 -56.43 20.02 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.458 1.099 . . . . 75.120000000000005 110.829 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 27.4 t80 -53.4 -44.7 68.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.633 1.173 . . . . 74.409999999999997 111.308 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -40.66 91.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.188 -0.915 . . . . 74.420000000000002 111.063 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 13.7 mtp180 -62.09 -36.86 82.99 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.671 0.607 . . . . 64.010000000000005 111.766 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.06 -51.26 70.8 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.359 0.599 . . . . 65.030000000000001 110.066 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.408 HG21 ' CD2' ' A' ' 80' ' ' LEU . 42.8 mt -68.87 -26.36 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 114.687 -1.142 . . . . 75.310000000000002 111.828 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.01 -28.09 69.56 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.099 0.96 . . . . 61.030000000000001 111.078 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -74.29 -24.41 59.24 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.703 0.801 . . . . 61.039999999999999 112.097 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.19 -15.85 59.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.142 0.577 . . . . 71.140000000000001 112.159 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.91 57.77 2.97 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.838 0.132 . . . . 44.140000000000001 113.39 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.81 158.51 28.71 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.013 0.925 . . . . 74.450000000000003 109.254 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 92.5 7.66 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.224 -1.399 . . . . 65.319999999999993 107.224 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -105.78 113.34 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.559 -0.746 . . . . 50.219999999999999 109.339 -170.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -108.47 137.11 46.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.151 0.58 . . . . 72.510000000000005 109.588 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 8.6 mtpm? -97.12 149.51 21.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.798 0.839 . . . . 75.230000000000004 109.174 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.77 153.97 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.57 0.748 . . . . 75.430000000000007 109.92 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -117.51 -30.77 5.43 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 61.210000000000001 110.556 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 152.96 21.24 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 112.664 0.616 . . . . 72.239999999999995 112.664 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -55.57 7.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.446 1.498 . . . . 43.119999999999997 111.53 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.35 -43.62 90.31 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.206 -0.906 . . . . 73.450000000000003 109.42 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.5 mm-40 -61.63 -42.68 99.23 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.185 -0.916 . . . . 71.219999999999999 111.212 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.9 -52.2 44.29 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.177 0.923 . . . . 54.119999999999997 111.246 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.46 HD11 ' HE3' ' A' ' 17' ' ' LYS . 54.7 mt -59.44 -36.35 75.76 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 124.025 0.828 . . . . 75.239999999999995 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 95.8 mttt -70.54 -29.74 66.29 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.48 -0.782 . . . . 73.409999999999997 111.816 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 112' ' ' GLU . 21.3 mm -77.28 -34.23 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 N-CA-C 109.374 -0.602 . . . . 72.219999999999999 109.374 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.6 t -62.46 -43.08 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.93 0.492 . . . . 70.409999999999997 110.62 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 34.0 ptt180 -64.82 -25.51 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.365 0.415 . . . . 70.239999999999995 111.157 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 51.6 mm-40 -72.68 -41.31 65.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 122.842 0.457 . . . . 73.329999999999998 110.022 174.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 5' ' ' ILE . 30.7 m-85 -60.78 -43.73 97.7 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.231 0.613 . . . . 74.510000000000005 111.245 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.422 ' SD ' ' HB ' ' A' ' 22' ' ' VAL . 77.0 mtm -69.46 -25.06 63.9 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.611 0.764 . . . . 74.230000000000004 111.83 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.04 -40.71 68.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.057 0.543 . . . . 63.219999999999999 110.743 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.7 mttm -66.23 -52.12 50.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.724 0.81 . . . . 73.239999999999995 110.206 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.45 -34.12 75.4 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.487 -1.233 . . . . 75.230000000000004 110.856 -176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.155 0 CA-C-N 115.253 -0.885 . . . . 54.140000000000001 112.894 174.016 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.675 -0.491 . . . . 71.420000000000002 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.6 mt -110.6 119.08 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.762 -0.829 . . . . 61.409999999999997 108.762 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 58.4 mt -105.06 142.13 35.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.162 -1.051 . . . . 73.209999999999994 108.162 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.3 mm -114.12 102.66 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 106.946 -1.502 . . . . 43.439999999999998 106.946 172.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.649 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.37 127.93 37.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.462 -1.681 . . . . 71.019999999999996 106.462 -176.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.69 127.76 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.957 0.503 . . . . 42.43 109.689 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 58' ' ' SER . 25.2 t-20 -115.85 116.4 27.93 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.164 -1.05 . . . . 73.439999999999998 108.164 171.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -125.53 144.08 50.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.064 0.546 . . . . 71.209999999999994 109.746 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.19 -25.5 60.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.999 0.92 . . . . 71.239999999999995 110.6 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 14' ' ' LEU . 75.6 m-20 -106.48 128.64 54.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.929 0.891 . . . . 75.120000000000005 111.42 -169.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.17 -19.58 65.6 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.491 1.117 . . . . 70.230000000000004 112.045 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.46 -51.06 70.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.454 0.702 . . . . 64.25 109.869 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -64.36 -36.36 83.88 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.271 -0.422 . . . . 74.150000000000006 111.309 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 57' ' ' ILE . 55.0 mt -52.42 -59.58 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.161 0.584 . . . . 70.099999999999994 110.683 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.53 -32.22 69.59 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.533 -0.758 . . . . 72.409999999999997 112.398 -172.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.8 mtpt -74.84 -37.9 62.14 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.294 0.638 . . . . 72.310000000000002 112.063 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 117' ' ' VAL . 77.5 mt -62.87 -38.21 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.222 0.609 . . . . 61.240000000000002 110.264 173.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.6 mttt -53.78 -48.7 69.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.688 0.618 . . . . 64.129999999999995 111.048 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -64.66 -49.9 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.499 0.499 . . . . 62.43 110.612 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -44.38 -51.12 8.85 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.623 1.169 . . . . 53.240000000000002 112.649 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.4 m -88.56 -21.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.023 0.749 . . . . 75.450000000000003 113.023 -169.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -63.66 -35.49 80.72 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.178 0.513 . . . . 71.420000000000002 109.942 170.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -69.87 -14.36 62.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.161 -0.927 . . . . 73.040000000000006 111.572 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 21.6 mm-40 -110.73 4.76 20.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.248 1.019 . . . . 74.239999999999995 111.804 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.57 40.43 98.68 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 114.551 0.58 . . . . 63.420000000000002 114.551 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.6 m-85 -99.98 131.83 45.71 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.93 0.892 . . . . 72.430000000000007 109.316 173.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.9 mp0 -77.7 105.91 9.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.319 1.047 . . . . 54.25 108.896 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.8 t -82.02 131.64 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.506 0.722 . . . . 75.209999999999994 111.737 -170.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 41' ' ' GLU . 96.8 mtt180 -126.36 156.03 41.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.333 1.053 . . . . 75.329999999999998 109.725 165.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.86 125.28 17.66 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.165 -1.05 . . . . 74.439999999999998 108.165 166.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 38' ' ' LEU . 60.8 t -104.2 115.23 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.958 0.903 . . . . 75.310000000000002 108.573 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.68 -8.94 17.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.347 0.659 . . . . 71.519999999999996 110.906 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.95 146.02 30.88 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.291 0.567 . . . . 73.310000000000002 111.769 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -58.1 -30.56 66.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.642 1.177 . . . . 61.409999999999997 112.758 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.08 -45.59 86.88 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.338 0.655 . . . . 74.129999999999995 110.908 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -69.18 -42.19 76.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.365 -0.834 . . . . 72.219999999999999 109.412 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HB2' HG11 ' A' ' 32' ' ' VAL . 5.7 tt -55.71 -50.4 70.42 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.138 1.375 . . . . 75.340000000000003 112.628 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.562 -0.744 . . . . 74.430000000000007 111.459 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 32.2 mmmt -69.78 -55.29 10.26 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.817 0.698 . . . . 75.239999999999995 110.444 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 10.6 pt-20 -68.79 -30.83 69.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.193 0.812 . . . . 75.530000000000001 113.193 -161.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.508 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -68.98 -38.0 79.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 75.230000000000004 111.444 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.79 -33.24 70.54 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.37 -0.377 . . . . 73.430000000000007 109.998 175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.8 mmmm -64.68 -37.01 86.11 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.833 -0.621 . . . . 52.229999999999997 110.583 176.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD12 ' SD ' ' A' ' 42' ' ' MET . 82.4 mt -57.92 -37.12 73.49 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.471 0.708 . . . . 65.439999999999998 112.085 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.871 0 CA-C-N 115.272 -0.876 . . . . 74.329999999999998 111.448 175.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HG3' ' HB ' ' A' ' 3' ' ' ILE . 1.5 mppt? . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 108.16 -1.052 . . . . 71.239999999999995 108.16 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 28' ' ' GLN . 21.3 mm -101.17 112.33 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.527 -1.286 . . . . 74.420000000000002 107.527 -176.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -93.17 126.7 38.41 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.244 -1.021 . . . . 75.5 108.244 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.649 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.9 mm -110.75 112.27 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 108.997 -0.742 . . . . 72.209999999999994 108.997 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HG23 ' A' ' 15' ' ' ILE . 59.7 mt -92.42 127.59 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.236 -1.024 . . . . 71.230000000000004 108.236 169.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.8 t -135.86 116.5 13.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.614 -1.254 . . . . 60.329999999999998 107.614 173.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.16 -20.44 62.29 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.652 0.781 . . . . 71.439999999999998 110.898 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.26 134.89 49.68 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.978 0.911 . . . . 73.319999999999993 110.518 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 60.9 mttp -78.46 -25.54 45.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.301 0.641 . . . . 74.349999999999994 112.25 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 34.2 tt0 -65.75 -46.23 79.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.329 -0.619 . . . . 74.25 109.329 177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.06 -41.96 84.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.491 0.716 . . . . 73.299999999999997 110.728 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 80' ' ' LEU . 6.6 tt -58.63 -38.7 78.64 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.954 0.502 . . . . 74.040000000000006 111.316 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 58.7 mtpt -66.49 -48.87 68.46 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.097 0.559 . . . . 75.439999999999998 111.028 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 10.8 mm-40 -54.81 -44.56 73.91 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.135 0.897 . . . . 72.310000000000002 109.968 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.591 ' HG2' HD21 ' A' ' 6' ' ' LEU . 48.0 tpp -61.22 -47.57 85.48 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.637 -1.62 . . . . 61.229999999999997 111.685 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' ILE . 97.3 mt -66.21 -36.16 82.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.319 0.648 . . . . 73.219999999999999 111.238 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 42.2 mt-10 -67.26 -34.14 76.81 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.795 -0.639 . . . . 74.430000000000007 110.387 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.71 -37.87 79.83 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.711 0.404 . . . . 63.049999999999997 110.819 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.605 HD13 HG21 ' A' ' 78' ' ' VAL . 98.7 mt -65.32 -32.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.425 0.69 . . . . 62.420000000000002 110.009 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -67.4 -23.21 65.54 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.66 0.784 . . . . 75.409999999999997 111.468 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.4 mmmm -83.8 -30.91 26.19 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.466 0.706 . . . . 72.120000000000005 111.235 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -94.06 -60.67 1.69 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.385 0.674 . . . . 65.439999999999998 110.569 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.14 84.98 1.72 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.548 -0.751 . . . . 54.210000000000001 111.575 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -131.44 152.75 50.4 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.655 0.782 . . . . 70.120000000000005 110.927 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -76.26 94.07 3.5 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.873 -0.788 . . . . 75.450000000000003 108.873 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 71' ' ' ILE . 85.2 t -102.43 126.86 56.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 123.646 0.779 . . . . 64.200000000000003 110.995 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.42 114.58 28.97 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.24 -1.392 . . . . 72.010000000000005 107.24 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 64' ' ' LEU . 37.8 tp -102.1 124.33 47.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.161 0.584 . . . . 74.129999999999995 111.377 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.8 tp -106.35 122.03 45.42 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.729 -0.841 . . . . 74.230000000000004 108.729 168.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 90' ' ' LEU . 86.7 mt -106.94 112.78 25.89 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.073 0.949 . . . . 73.340000000000003 109.075 172.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -109.28 117.83 35.1 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.219 -1.4 . . . . 55.109999999999999 107.219 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 90' ' ' LEU . 23.0 t70 -154.61 153.74 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.374 -0.602 . . . . 73.349999999999994 109.374 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.4 -19.98 25.86 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.33 0.652 . . . . 65.120000000000005 111.278 -172.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -109.1 85.44 2.1 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.93 . . . . 74.230000000000004 108.772 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.1 mt-10 -81.69 -12.02 58.82 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.638 1.347 . . . . 65.310000000000002 114.638 -168.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -71.68 -43.38 66.1 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 108.932 -0.766 . . . . 73.219999999999999 108.932 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.37 -39.08 74.8 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.879 -1.055 . . . . 75.349999999999994 109.545 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -63.48 -37.18 86.3 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.117 -0.947 . . . . 51.439999999999998 112.055 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 7.3 tt0 -72.18 -37.15 69.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.671 0.388 . . . . 65.099999999999994 111.254 -176.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HA ' ' HE ' ' A' ' 95' ' ' ARG . 16.8 mm-40 -64.22 -31.93 73.32 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 75.230000000000004 111.563 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -79.52 -36.89 37.79 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.133 0.973 . . . . 72.109999999999999 110.824 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 22.8 ttpp -61.92 -55.71 26.8 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.936 0.895 . . . . 75.519999999999996 111.489 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 43.6 ptt85 -57.34 -24.12 53.19 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.405 1.066 . . . . 74.299999999999997 112.703 -170.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.4 -51.37 37.21 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.298 1.039 . . . . 73.099999999999994 110.788 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.0 mt -67.23 -39.06 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.798 1.239 . . . . 55.439999999999998 110.752 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.24 -29.72 67.71 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.132 -1.395 . . . . 72.239999999999995 110.942 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -74.14 -19.44 60.57 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.437 0.695 . . . . 73.120000000000005 110.917 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -86.26 0.3 54.12 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.81 0.844 . . . . 61.32 111.983 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.67 54.47 2.93 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.842 0.135 . . . . 70.200000000000003 113.189 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -123.11 142.82 50.47 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.53 -0.915 . . . . 73.409999999999997 108.53 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.96 92.08 4.9 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.734 -0.839 . . . . 75.120000000000005 108.734 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 20.2 t -106.18 131.05 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.466 0.706 . . . . 74.230000000000004 110.165 -174.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -126.76 148.47 49.9 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.979 0.912 . . . . 75.230000000000004 110.001 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 10.0 mtpm? -112.35 148.93 33.22 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.716 0.806 . . . . 74.25 110.555 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.99 145.63 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.183 0.593 . . . . 74.219999999999999 111.343 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 p -106.76 -35.84 6.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.948 0.899 . . . . 72.219999999999999 110.568 170.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.79 142.08 35.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.402 0.681 . . . . 71.400000000000006 110.585 -168.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -70.9 -41.11 71.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.273 0.629 . . . . 71.430000000000007 111.565 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 66.3 mm-40 -64.01 -49.33 72.86 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.792 0.437 . . . . 73.329999999999998 110.224 176.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.8 tp10 -64.63 -34.22 77.78 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.988 0.805 . . . . 74.340000000000003 111.704 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.06 -48.37 78.72 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.984 0.514 . . . . 75.099999999999994 110.562 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 17' ' ' LYS . 64.6 mt -60.92 -37.44 82.3 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.172 0.92 . . . . 51.219999999999999 110.759 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 33.0 mmtp -64.05 -42.09 97.15 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.445 0.698 . . . . 70.239999999999995 110.858 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.1 mm -70.17 -30.1 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.676 0.61 . . . . 73.530000000000001 111.111 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.0 t -63.95 -43.1 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.677 -0.49 . . . . 71.299999999999997 109.677 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -65.36 -31.34 72.4 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.637 0.775 . . . . 71.5 111.223 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 35.0 mm-40 -66.59 -47.91 71.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.22 0.608 . . . . 73.420000000000002 110.165 174.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 5' ' ' ILE . 20.5 m-30 -61.42 -38.56 87.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.371 0.668 . . . . 71.519999999999996 111.929 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.647 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.8 mtm -68.01 -33.05 73.88 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.244 0.618 . . . . 75.219999999999999 111.775 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -51.06 60.52 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.533 0.733 . . . . 64.430000000000007 109.755 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 57.4 mttm -60.48 -48.21 82.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.192 -0.913 . . . . 60.340000000000003 109.933 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.3 92.8 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 114.653 -1.158 . . . . 44.409999999999997 110.851 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.669 0 O-C-N 123.812 0.695 . . . . 53.439999999999998 113.078 179.124 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HE2' HD21 ' A' ' 4' ' ' LEU . 15.1 ptmt . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.321 1.23 . . . . 73.219999999999999 114.321 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.513 HG12 ' HB3' ' A' ' 77' ' ' LYS . 68.2 mt -94.77 122.2 46.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 113.883 -1.508 . . . . 73.420000000000002 109.473 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.525 HD21 ' HE2' ' A' ' 2' ' ' LYS . 65.0 mt -103.75 145.73 29.66 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.981 -0.748 . . . . 52.340000000000003 108.981 171.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.1 mm -105.26 103.71 15.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.331 -1.729 . . . . 55.539999999999999 106.331 168.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.72 118.04 30.3 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.622 -1.622 . . . . 74.319999999999993 106.622 -174.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 18' ' ' ILE . 69.6 mt -127.68 122.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.408 -0.59 . . . . 72.519999999999996 109.408 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.6 t30 -114.59 112.48 22.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 107.199 -1.408 . . . . 71.239999999999995 107.199 169.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -126.12 144.29 50.8 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.992 -0.744 . . . . 71.219999999999999 108.992 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -80.45 -24.56 39.46 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.658 0.742 . . . . 72.540000000000006 109.032 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.29 115.65 19.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.796 -1.093 . . . . 52.030000000000001 111.366 -171.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.04 -37.62 77.41 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.911 1.285 . . . . 51.32 111.63 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.83 -45.1 95.29 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.164 -0.926 . . . . 64.420000000000002 110.738 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.4 -32.92 74.8 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 119.174 -0.441 . . . . 75.129999999999995 111.824 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.5 mt -54.22 -66.51 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 123.98 0.8 . . . . 74.209999999999994 109.608 175.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.02 -34.21 77.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.887 0.875 . . . . 72.109999999999999 112.844 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -66.78 -50.63 62.05 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.228 0.611 . . . . 72.329999999999998 110.906 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 7' ' ' ILE . 94.8 mt -62.43 -35.78 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.598 0.759 . . . . 64.409999999999997 110.55 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.2 mtpt -54.66 -46.29 73.97 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.127 0.571 . . . . 72.239999999999995 111.397 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.76 -41.9 51.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.825 0.45 . . . . 74.329999999999998 110.736 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -46.8 -53.97 10.84 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.453 1.096 . . . . 63.420000000000002 111.98 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.519 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.5 m -84.94 -24.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 114.95 -1.023 . . . . 63.32 111.759 -171.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.1 -41.17 87.49 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.685 0.794 . . . . 75.120000000000005 110.042 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -68.51 -28.98 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.977 -1.01 . . . . 74.239999999999995 111.22 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.33 1.32 55.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.637 0.775 . . . . 64.349999999999994 112.535 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.45 17.43 71.2 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 114.789 0.676 . . . . 73.040000000000006 114.789 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 18.6 m-85 -99.27 97.69 8.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.193 -1.04 . . . . 61.140000000000001 108.193 176.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.67 119.92 9.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.901 0.881 . . . . 71.239999999999995 110.33 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.612 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.4 t -75.65 131.81 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.107 0.963 . . . . 74.510000000000005 110.497 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -128.75 130.04 46.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.967 -1.494 . . . . 75.150000000000006 106.967 166.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.67 137.01 55.03 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.804 -0.813 . . . . 73.0 108.804 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 38' ' ' LEU . 75.2 t -127.28 118.98 51.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 124.238 1.015 . . . . 74.120000000000005 108.653 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -120.12 7.59 10.84 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.617 0.767 . . . . 73.420000000000002 110.717 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 23.9 t70 -146.06 141.48 27.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.03 0.532 . . . . 72.430000000000007 111.055 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 17.9 m -56.35 -42.42 77.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.372 1.069 . . . . 73.120000000000005 113.104 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.3 m-20 -61.86 -41.78 98.26 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 110.339 -0.245 . . . . 72.25 110.339 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 45.5 mt-10 -61.39 -39.33 90.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.268 0.627 . . . . 72.140000000000001 110.635 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' HG11 ' A' ' 32' ' ' VAL . 7.8 tt -57.99 -52.15 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.218 0.949 . . . . 64.299999999999997 111.442 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.9 mtpp -69.84 -36.59 75.69 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.837 -1.074 . . . . 74.430000000000007 110.019 -174.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.1 mmtp -62.05 -44.17 97.27 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.3 0.64 . . . . 63.43 110.713 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.2 -48.74 80.13 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.153 0.981 . . . . 73.150000000000006 110.373 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -71.64 -22.52 61.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.516 -0.766 . . . . 72.049999999999997 112.37 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 mmmm -66.83 -43.32 84.07 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.645 -0.502 . . . . 74.530000000000001 109.645 170.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 29.8 mmmt -71.43 -33.69 69.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.071 0.548 . . . . 55.420000000000002 111.014 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.34 -40.01 81.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.396 0.678 . . . . 64.219999999999999 109.625 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 123.475 0.71 . . . . 64.400000000000006 111.084 177.118 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.052 0.453 . . . . 74.329999999999998 110.518 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -124.93 117.67 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.207 -0.906 . . . . 63.299999999999997 108.713 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -90.45 127.52 36.24 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.647 -1.242 . . . . 63.240000000000002 107.647 169.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.622 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.4 mm -104.48 112.48 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.014 -0.735 . . . . 63.030000000000001 109.014 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 15' ' ' ILE . 68.8 mt -92.28 130.69 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.054 -1.091 . . . . 73.120000000000005 108.054 168.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -143.79 130.61 20.36 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.05 -1.463 . . . . 61.009999999999998 107.05 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -93.66 -5.78 47.86 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.961 0.504 . . . . 74.329999999999998 110.536 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -110.16 115.66 30.14 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.02 -1.104 . . . . 65.239999999999995 108.02 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.07 -17.83 61.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.293 0.637 . . . . 62.409999999999997 112.073 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.87 -42.19 70.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.344 0.657 . . . . 71.230000000000004 109.621 171.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.52 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.93 -0.577 . . . . 74.150000000000006 110.091 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 93' ' ' PHE . 9.5 tt -60.9 -43.94 97.83 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.504 -0.317 . . . . 54.140000000000001 110.642 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -57.02 -50.09 73.79 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.345 0.658 . . . . 64.099999999999994 111.409 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -51.08 -51.09 56.71 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.99 0.916 . . . . 62.43 111.22 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 6' ' ' LEU . 46.7 tpp -58.52 -43.14 89.06 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.248 -1.342 . . . . 71.450000000000003 111.195 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.443 HD23 HD12 ' A' ' 71' ' ' ILE . 81.0 mt -69.39 -38.48 78.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.506 0.722 . . . . 44.520000000000003 112.215 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -57.81 -45.76 85.64 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.566 0.541 . . . . 72.019999999999996 110.154 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.62 -40.94 84.66 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.881 -1.054 . . . . 72.329999999999998 111.574 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.443 HD12 HD23 ' A' ' 68' ' ' LEU . 37.4 mt -58.84 -42.39 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 124.533 1.133 . . . . 62.439999999999998 110.72 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.4 t -64.89 -41.44 95.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.885 0.741 . . . . 51.43 111.03 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -76.03 -35.25 59.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.083 0.553 . . . . 71.310000000000002 111.346 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.55 -15.63 59.14 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.61 0.764 . . . . 64.010000000000005 110.995 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.74 39.46 85.99 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 123.615 0.626 . . . . 75.219999999999999 113.747 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.0 m-30 -81.97 138.44 34.93 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.481 0.312 . . . . 63.409999999999997 111.452 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.513 ' HB3' HG12 ' A' ' 3' ' ' ILE . 6.7 tmtm? -84.59 92.78 8.22 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 106.947 -1.501 . . . . 73.230000000000004 106.947 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LEU . 90.6 t -114.48 133.26 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.061 0.544 . . . . 70.510000000000005 111.686 -168.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -99.74 151.47 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.81 -1.181 . . . . 75.010000000000005 107.81 171.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 64' ' ' LEU . 63.6 tp -132.08 132.67 43.54 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.261 0.482 . . . . 63.409999999999997 111.789 -174.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 116' ' ' ILE . 45.1 tp -123.26 114.09 19.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.423 1.089 . . . . 65.409999999999997 108.699 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.81 136.24 40.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.759 0.823 . . . . 75.310000000000002 109.137 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -141.63 115.51 9.19 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.042 0.537 . . . . 61.119999999999997 109.817 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 43.7 m-20 -134.63 149.22 50.53 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.082 0.953 . . . . 72.019999999999996 108.452 172.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.84 -32.32 71.93 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.27 0.628 . . . . 74.310000000000002 109.822 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -90.4 96.53 10.7 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.434 -0.95 . . . . 71.510000000000005 108.434 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 31.3 mt-10 -74.9 -14.18 60.63 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.356 -0.838 . . . . 72.0 112.3 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.16 -55.61 11.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.531 0.732 . . . . 73.040000000000006 110.992 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.99 -34.12 75.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.832 0.453 . . . . 72.209999999999994 110.562 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 17.2 tp -61.56 -42.98 99.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.414 1.086 . . . . 72.219999999999999 110.706 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 19.5 tp10 -64.76 -54.29 33.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.268 0.627 . . . . 63.450000000000003 110.265 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.32 -58.25 6.08 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.318 1.011 . . . . 70.209999999999994 111.749 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' A' ' 64' ' ' LEU . 40.8 t80 -61.68 -33.36 73.84 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.093 0.957 . . . . 72.010000000000005 111.73 -175.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -61.29 -47.97 83.51 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.347 1.059 . . . . 64.310000000000002 109.759 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 61.9 mtp85 -61.21 -33.81 74.08 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.679 0.792 . . . . 74.439999999999998 112.575 -173.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 5.0 mptp? -63.53 -52.15 62.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.946 0.499 . . . . 74.040000000000006 109.762 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -73.06 -30.32 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 114.769 -1.105 . . . . 73.109999999999999 111.068 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.52 -38.73 90.51 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 108.708 -0.849 . . . . 62.450000000000003 108.708 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 t -73.31 -23.47 60.26 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.422 -0.808 . . . . 74.430000000000007 111.208 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 92.3 mt-30 -73.21 -10.71 60.06 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.378 0.671 . . . . 71.329999999999998 111.516 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.99 55.25 2.29 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.419 -0.672 . . . . 74.430000000000007 111.419 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.93 148.66 49.17 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.8 0.84 . . . . 72.230000000000004 110.474 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -75.2 93.22 2.79 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.494 -1.299 . . . . 74.450000000000003 107.494 167.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.61 118.34 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.38 -0.6 . . . . 75.099999999999994 109.38 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.413 HH11 HD12 ' A' ' 116' ' ' ILE . 23.5 mmt85 -111.03 132.64 54.05 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.786 -1.19 . . . . 75.140000000000001 107.786 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 14.3 ptmm? -111.98 147.31 36.2 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.529 -0.545 . . . . 74.5 109.529 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -155.51 159.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 122.792 0.437 . . . . 73.120000000000005 110.735 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -141.72 43.92 1.72 Allowed 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 107.5 -1.296 . . . . 72.420000000000002 107.5 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.48 133.92 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.361 -1.291 . . . . 52.0 109.603 -174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.16 -47.04 47.26 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.132 0.789 . . . . 73.540000000000006 113.132 -170.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.23 -33.79 63.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.666 0.387 . . . . 64.230000000000004 110.348 -175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.2 tp10 -64.71 -40.47 95.41 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.674 0.609 . . . . 75.439999999999998 109.64 173.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -48.36 82.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.573 0.546 . . . . 55.200000000000003 111.755 177.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.484 HD11 ' HE2' ' A' ' 17' ' ' LYS . 93.5 mt -57.72 -38.33 75.11 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.421 0.688 . . . . 61.219999999999999 110.426 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 71.2 tttt -62.69 -46.2 89.27 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.995 -1.002 . . . . 74.140000000000001 110.691 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.584 HG21 HD13 ' A' ' 81' ' ' LEU . 46.3 mm -58.16 -42.36 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.258 0.623 . . . . 74.030000000000001 110.942 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.2 t -65.81 -41.11 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 115.441 -0.799 . . . . 65.510000000000005 110.482 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -67.62 -30.05 69.52 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.018 0.527 . . . . 65.219999999999999 111.403 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 47.7 mt-10 -66.7 -46.12 76.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.216 0.606 . . . . 64.129999999999995 109.482 173.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 5' ' ' ILE . 18.6 m-30 -60.24 -45.52 92.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.201 1.0 . . . . 74.230000000000004 112.634 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.519 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.0 mtm -67.29 -29.03 68.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.404 0.682 . . . . 63.140000000000001 111.418 177.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.56 -38.32 70.98 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.688 0.795 . . . . 63.030000000000001 110.979 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 64.0 mttm -66.23 -49.13 68.3 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.023 0.929 . . . . 72.310000000000002 110.055 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.41 90.45 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 114.866 -1.061 . . . . 74.150000000000006 109.843 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 CA-C-N 115.391 -0.822 . . . . 53.119999999999997 113.369 177.331 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.242 0.664 0 N-CA-C 109.326 -0.62 . . . . 65.219999999999999 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.74 124.46 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.419 0.688 . . . . 73.230000000000004 109.939 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.9 mt -117.01 110.29 18.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.852 0.861 . . . . 74.010000000000005 108.924 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.74 107.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.152 -1.055 . . . . 74.420000000000002 108.152 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.02 125.51 38.69 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.774 -1.565 . . . . 61.109999999999999 106.774 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.44 129.12 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.029 0.532 . . . . 70.129999999999995 110.093 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -120.85 115.7 23.76 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.414 -1.328 . . . . 74.209999999999994 107.414 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -125.45 144.24 50.62 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 108.789 -0.819 . . . . 73.510000000000005 108.789 170.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 84' ' ' ASP . 5.6 m120 -73.13 -27.72 61.84 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.155 -0.683 . . . . 71.540000000000006 109.155 174.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -96.42 113.64 25.24 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.525 1.13 . . . . 52.549999999999997 110.16 -170.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.0 -20.42 63.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.504 0.722 . . . . 74.230000000000004 112.331 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -55.0 -49.57 71.19 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.965 0.906 . . . . 64.219999999999999 110.635 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 110' ' ' ASP . 3.5 mm? -67.7 -31.13 70.88 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.456 -0.793 . . . . 63.549999999999997 112.016 179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 58.6 mt -55.18 -58.43 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 118.21 0.459 . . . . 73.140000000000001 110.272 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -67.13 -35.66 80.2 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.485 0.55 . . . . 73.040000000000006 112.485 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 114' ' ' LEU . 27.7 mtpp -71.3 -39.55 71.38 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.23 0.456 . . . . 74.400000000000006 112.23 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.73 -36.0 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.5 0.72 . . . . 53.119999999999997 109.909 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 96.9 mttt -55.28 -37.39 67.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.976 0.51 . . . . 74.120000000000005 111.54 175.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -70.7 -48.81 52.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.483 0.713 . . . . 71.219999999999999 111.024 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -52.07 -38.72 58.09 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.828 0.851 . . . . 73.400000000000006 112.462 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.721 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.2 m -100.07 -9.19 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 65.310000000000002 112.317 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.46 -46.34 89.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.133 0.973 . . . . 65.239999999999995 110.034 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -83.49 3.81 30.63 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.516 -1.22 . . . . 72.019999999999996 111.406 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 29.9 mm-40 -113.52 -2.24 13.92 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.046 0.938 . . . . 72.129999999999995 110.936 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 48.74 41.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 114.458 0.543 . . . . 71.510000000000005 114.458 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 43.5 m-85 -108.19 121.94 45.89 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.776 -0.824 . . . . 63.240000000000002 108.776 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -74.42 107.81 6.8 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.847 -0.797 . . . . 73.510000000000005 108.847 170.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG21 ' HG2' ' A' ' 19' ' ' LYS . 47.0 t -79.27 124.14 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.535 -0.543 . . . . 61.140000000000001 109.535 177.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 29.8 mmm180 -116.17 120.53 39.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.196 0.998 . . . . 73.209999999999994 109.122 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -98.12 118.98 35.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.47 0.708 . . . . 75.340000000000003 110.288 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.12 117.42 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.967 0.907 . . . . 73.230000000000004 109.449 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -131.11 5.58 4.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.98 0.912 . . . . 63.240000000000002 110.22 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.19 144.11 34.59 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.783 0.833 . . . . 71.430000000000007 109.909 -175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 19.1 m -69.47 -38.21 77.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.32 1.048 . . . . 70.340000000000003 113.132 -175.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.2 t70 -71.22 -34.09 70.5 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.799 0.44 . . . . 74.230000000000004 109.86 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.1 mm-40 -69.35 -33.21 72.75 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.636 0.585 . . . . 71.129999999999995 110.644 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.4 tt -58.78 -45.88 88.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.235 0.614 . . . . 64.140000000000001 110.404 171.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 10.2 mtmp? -65.61 -27.41 68.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.859 0.464 . . . . 74.349999999999994 111.551 178.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.58 -48.5 79.2 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.672 -0.492 . . . . 71.329999999999998 109.672 172.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.8 mm-40 -61.76 -51.74 67.1 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 124.359 1.037 . . . . 73.319999999999993 110.79 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 53.7 mmm -60.84 -29.02 69.25 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.871 0.732 . . . . 74.349999999999994 111.655 -173.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.3 -59.67 2.85 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.834 0.709 . . . . 63.229999999999997 110.194 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -63.56 -35.57 80.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.491 0.716 . . . . 72.120000000000005 112.617 -169.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.09 -38.55 83.27 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.609 0.764 . . . . 72.109999999999999 110.595 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.927 0 CA-C-N 115.689 -0.687 . . . . 60.130000000000003 112.275 -178.84 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 121.515 0.674 . . . . 73.239999999999995 109.576 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.33 150.87 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.134 0.973 . . . . 72.120000000000005 108.732 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 22' ' ' VAL . 9.0 tt -116.18 128.5 55.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.097 -1.075 . . . . 74.310000000000002 108.097 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.4 mm -115.95 123.24 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 N-CA-C 109.06 -0.719 . . . . 61.340000000000003 109.06 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.8 mt -107.16 132.49 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.983 -0.747 . . . . 74.409999999999997 108.983 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -131.03 119.94 22.73 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 107.288 -1.375 . . . . 63.119999999999997 107.288 172.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -70.37 -23.34 62.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.081 0.552 . . . . 63.119999999999997 110.808 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -102.47 116.12 31.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.437 -0.949 . . . . 72.120000000000005 108.437 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -78.18 -13.18 59.97 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.953 0.723 . . . . 73.349999999999994 112.953 -174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -68.0 -45.22 74.66 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.701 -0.852 . . . . 55.530000000000001 108.701 168.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.99 -36.63 84.18 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 115.823 -0.626 . . . . 75.530000000000001 110.639 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 80' ' ' LEU . 7.1 tt -57.12 -45.8 83.16 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.431 0.457 . . . . 73.510000000000005 110.464 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.71 -54.14 49.88 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.659 0.599 . . . . 62.310000000000002 111.06 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.78 -47.73 64.07 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 124.186 0.929 . . . . 65.430000000000007 110.492 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.602 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 43.8 ttm -62.42 -49.47 75.35 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.109 -1.405 . . . . 42.32 112.09 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 71' ' ' ILE . 87.5 mt -67.58 -29.95 69.44 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.049 0.54 . . . . 72.120000000000005 111.868 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.92 -35.53 72.3 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.975 0.51 . . . . 71.430000000000007 110.035 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.72 -31.86 63.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.999 0.52 . . . . 74.420000000000002 111.04 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.651 HD12 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -72.04 -30.26 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 109.497 -0.557 . . . . 61.210000000000001 109.497 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -65.52 -29.1 69.69 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.294 0.638 . . . . 70.209999999999994 110.388 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.63 -21.02 41.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.794 0.838 . . . . 72.219999999999999 111.059 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -91.08 -22.28 20.81 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.137 0.975 . . . . 74.25 111.37 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.25 26.13 71.47 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-O 119.284 -0.731 . . . . 41.240000000000002 114.874 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -81.11 148.19 29.73 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 117.729 0.764 . . . . 75.120000000000005 111.343 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -75.99 114.7 14.92 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.862 0.865 . . . . 74.549999999999997 110.349 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 4' ' ' LEU . 95.4 t -118.66 135.02 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.356 0.598 . . . . 72.219999999999999 111.984 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -112.07 117.61 33.11 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.091 -1.448 . . . . 72.319999999999993 107.091 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 64' ' ' LEU . 56.8 tp -104.34 121.84 44.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.744 0.418 . . . . 63.140000000000001 110.551 -174.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 tp -107.03 113.89 27.64 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.712 -0.848 . . . . 74.420000000000002 108.712 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 90' ' ' LEU . 90.9 mt -101.82 136.51 41.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.836 0.855 . . . . 42.020000000000003 109.294 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -138.38 106.67 5.78 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.697 0.799 . . . . 63.229999999999997 108.943 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.4 ' HA ' ' OD1' ' A' ' 10' ' ' ASN . 20.5 t70 -141.19 148.69 40.36 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.249 -0.887 . . . . 73.120000000000005 108.632 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.99 -41.07 99.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.327 0.651 . . . . 65.230000000000004 111.701 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.6 95.33 9.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.011 0.524 . . . . 70.140000000000001 110.216 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.51 -32.53 62.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.803 1.241 . . . . 73.049999999999997 113.26 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.42 -57.72 11.73 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.09 0.868 . . . . 71.200000000000003 110.96 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.4 -16.34 46.31 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.847 0.459 . . . . 64.310000000000002 111.452 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 26.3 tp -70.17 -38.22 75.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 54.520000000000003 110.258 174.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -77.19 -36.69 54.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.748 0.419 . . . . 74.430000000000007 110.522 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -53.52 -45.63 69.82 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.719 0.637 . . . . 62.350000000000001 111.062 170.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -74.25 -35.62 63.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.034 -0.985 . . . . 61.450000000000003 110.873 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 27.3 ttpp -61.21 -56.91 15.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.436 0.694 . . . . 63.509999999999998 111.148 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -60.78 -24.1 65.51 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.288 0.993 . . . . 75.420000000000002 112.995 -170.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -51.01 56.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.575 0.75 . . . . 72.329999999999998 110.845 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.75 -29.54 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 114.915 -1.039 . . . . 73.420000000000002 110.521 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -73.68 -30.87 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.846 -1.07 . . . . 70.540000000000006 109.743 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -74.25 -18.92 60.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.141 0.576 . . . . 72.340000000000003 110.677 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -75.03 -22.15 58.62 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.891 0.476 . . . . 65.120000000000005 110.382 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.35 47.53 1.05 Allowed Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.066 0.365 . . . . 71.349999999999994 112.657 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -126.27 138.23 53.59 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.137 0.975 . . . . 73.430000000000007 108.626 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.08 94.01 2.84 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.63 -0.878 . . . . 73.200000000000003 108.63 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 80' ' ' LEU . 22.8 t -102.96 117.68 48.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.119 -0.946 . . . . 74.420000000000002 109.121 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -110.0 147.27 33.83 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.648 0.779 . . . . 64.299999999999997 109.217 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.572 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 9.7 mtmp? -98.4 161.93 13.43 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.062 -0.517 . . . . 74.230000000000004 109.814 172.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -161.65 154.32 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 114.983 -1.008 . . . . 61.420000000000002 108.967 170.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.9 p -128.94 -25.26 2.81 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.115 0.966 . . . . 74.099999999999994 110.253 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.18 149.44 21.48 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.892 0.877 . . . . 71.540000000000006 111.63 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 14' ' ' LEU . 7.2 m-20 -64.26 -57.97 7.9 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.357 1.063 . . . . 74.510000000000005 112.655 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 38.4 mt-10 -67.14 -37.98 84.75 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.07 -0.514 . . . . 74.409999999999997 110.231 -174.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.81 -36.19 83.51 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 123.706 0.629 . . . . 70.430000000000007 111.212 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.32 -47.85 80.48 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.313 0.383 . . . . 72.439999999999998 110.512 175.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.609 HD11 ' HE3' ' A' ' 17' ' ' LYS . 45.4 mt -64.82 -35.21 80.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.003 0.815 . . . . 73.150000000000006 111.039 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 64.3 mttp -63.13 -48.06 80.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.747 0.819 . . . . 64.319999999999993 110.911 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -72.54 -28.3 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.148 0.579 . . . . 74.019999999999996 110.828 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.24 -46.04 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 109.594 -0.521 . . . . 61.049999999999997 109.594 170.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -68.22 -30.62 69.72 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.964 0.506 . . . . 63.299999999999997 111.252 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 51.7 mm-40 -65.55 -46.68 78.6 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 123.506 0.504 . . . . 64.099999999999994 110.042 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -62.28 -37.28 84.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.515 0.726 . . . . 72.340000000000003 112.298 176.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.721 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -73.4 -26.79 61.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.184 0.593 . . . . 72.540000000000006 111.522 176.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -69.71 -44.01 71.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.707 0.803 . . . . 75.230000000000004 110.153 173.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.2 mttm -67.45 -46.45 73.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.49 -0.777 . . . . 72.209999999999994 109.794 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.29 80.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.136 0.974 . . . . 63.200000000000003 110.695 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.175 0 CA-C-N 115.255 -0.884 . . . . 34.530000000000001 112.94 176.257 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 45' ' ' LEU . 68.3 mttm . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.847 -0.797 . . . . 62.299999999999997 108.847 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB1' ' A' ' 124' ' ' ALA . 47.2 mm -96.89 109.88 23.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.421 -1.326 . . . . 71.239999999999995 107.421 168.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HB2' HG22 ' A' ' 78' ' ' VAL . 71.4 mt -113.17 109.0 18.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.611 -0.885 . . . . 74.310000000000002 108.611 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.5 mm -88.49 102.24 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.781 -1.563 . . . . 74.140000000000001 106.781 173.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.34 130.14 35.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.464 -1.68 . . . . 73.239999999999995 106.464 -176.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 55' ' ' LEU . 70.3 mt -137.67 130.55 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 123.082 0.553 . . . . 61.210000000000001 109.521 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -114.7 109.22 17.88 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.682 -0.859 . . . . 73.129999999999995 108.682 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -129.05 125.78 38.02 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 108.042 -1.096 . . . . 71.530000000000001 108.042 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 59' ' ' ASN . 10.4 t30 -77.97 -13.52 59.85 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.217 0.607 . . . . 51.109999999999999 110.406 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.433 HD22 HD23 ' A' ' 14' ' ' LEU . 50.8 t30 -93.77 119.95 33.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.786 . . . . 71.299999999999997 109.913 -176.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.65 -30.19 67.12 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.782 1.233 . . . . 63.109999999999999 112.451 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -57.0 -51.38 69.46 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.002 0.814 . . . . 74.519999999999996 110.018 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 11' ' ' ASN . 4.4 mm? -69.33 -31.84 70.54 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.7 -0.667 . . . . 74.010000000000005 112.207 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 HG21 ' A' ' 57' ' ' ILE . 61.1 mt -54.71 -55.21 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 118.183 0.447 . . . . 72.209999999999994 109.889 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.13 -31.26 61.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 115.78 -0.645 . . . . 74.349999999999994 112.337 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -65.1 -50.99 63.94 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.238 0.615 . . . . 74.129999999999995 110.721 176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.38 -40.47 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.956 0.903 . . . . 64.209999999999994 110.258 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' HG11 ' A' ' 29' ' ' VAL . 96.8 mttt -53.81 -41.9 67.8 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 123.515 0.51 . . . . 70.400000000000006 111.769 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -78.36 -42.13 31.35 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.329 0.652 . . . . 70.530000000000001 111.912 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 114' ' ' LEU . 19.5 mm-40 -48.94 -45.77 42.27 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.848 0.859 . . . . 64.439999999999998 111.176 171.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 55' ' ' LEU . 5.6 m -94.39 -14.2 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.455 -0.793 . . . . 54.049999999999997 112.088 -173.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.49 -42.29 98.55 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.723 0.809 . . . . 73.530000000000001 109.952 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.84 -21.88 66.01 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.02 -0.991 . . . . 64.25 111.064 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -100.92 10.11 41.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.778 0.831 . . . . 73.200000000000003 111.773 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.77 23.35 78.13 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 115.965 1.146 . . . . 61.530000000000001 115.965 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.34 109.15 20.08 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 117.976 0.888 . . . . 74.540000000000006 109.3 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.46 104.85 2.42 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.132 -0.692 . . . . 70.329999999999998 109.132 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.6 t -82.18 132.72 30.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.024 0.44 . . . . 70.219999999999999 110.865 -174.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB2' HD13 ' A' ' 56' ' ' ILE . 11.9 mmt85 -126.18 111.93 15.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.997 1.319 . . . . 75.140000000000001 107.794 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.22 134.43 51.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.567 0.747 . . . . 71.150000000000006 109.266 -175.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -132.86 128.46 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.155 0.982 . . . . 53.140000000000001 109.557 -169.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -134.91 19.35 3.49 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.865 0.866 . . . . 75.299999999999997 110.496 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -145.72 146.28 31.19 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.693 0.797 . . . . 53.020000000000003 110.069 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.9 p -62.14 -43.94 97.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.315 1.046 . . . . 71.510000000000005 113.426 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 34.9 m-20 -69.01 -32.89 72.75 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.038 0.135 . . . . 62.439999999999998 110.92 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.66 0.384 . . . . 74.019999999999996 110.911 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -42.37 90.04 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.942 0.897 . . . . 74.129999999999995 110.621 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 52.4 mtpt -65.96 -39.34 90.34 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.978 -1.01 . . . . 71.319999999999993 111.114 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 73.8 mmtt -63.09 -49.12 75.73 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.236 0.614 . . . . 73.129999999999995 111.259 -179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 mm-40 -70.29 -35.51 73.77 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.259 0.624 . . . . 64.299999999999997 110.608 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.458 ' HG3' HD13 ' A' ' 70' ' ' LEU . 9.2 mmt -64.54 -35.75 81.98 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.367 0.667 . . . . 65.120000000000005 111.254 174.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -62.02 -40.0 94.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 123.502 0.501 . . . . 71.099999999999994 110.516 174.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -70.34 -36.39 74.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.799 0.439 . . . . 75.430000000000007 110.981 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 78.5 mt -64.55 -39.6 94.06 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.109 0.563 . . . . 63.439999999999998 109.869 175.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.019 0 C-N-CA 124.039 0.936 . . . . 45.329999999999998 112.252 -177.194 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.953 0.882 . . . . 72.319999999999993 109.939 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -112.5 141.04 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.479 1.111 . . . . 75.209999999999994 108.63 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 7' ' ' ILE . 9.3 tt -115.96 115.57 26.4 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 107.843 -1.169 . . . . 75.019999999999996 107.843 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 28.3 mm -97.33 120.57 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 108.728 -0.841 . . . . 75.239999999999995 108.728 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.481 HG21 HG23 ' A' ' 15' ' ' ILE . 75.1 mt -103.94 142.48 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.742 -0.836 . . . . 43.210000000000001 108.742 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 t -152.82 124.56 7.83 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.093 -1.077 . . . . 40.009999999999998 108.093 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 10' ' ' ASN . 33.8 p30 -82.29 -8.35 59.64 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.603 0.361 . . . . 72.129999999999995 110.536 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.25 116.25 31.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.517 1.127 . . . . 71.319999999999993 108.752 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -74.02 -21.64 59.89 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.638 0.607 . . . . 70.540000000000006 112.638 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 35.2 tt0 -65.96 -43.02 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 72.140000000000001 110.067 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.38 -33.63 74.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.041 -0.981 . . . . 65.439999999999998 110.696 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 5.3 tt -61.89 -40.89 96.97 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.245 -0.434 . . . . 71.099999999999994 110.741 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 53.8 mtpt -65.36 -49.39 69.54 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 71.409999999999997 110.473 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -54.98 -44.46 74.47 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.073 0.858 . . . . 64.010000000000005 110.802 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.512 ' HG2' HD21 ' A' ' 6' ' ' LEU . 42.8 tpp -56.15 -51.59 67.44 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.935 1.294 . . . . 71.310000000000002 110.118 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 68.8 mt -65.42 -36.27 83.43 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 71.340000000000003 111.94 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.07 -39.58 94.38 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.281 0.632 . . . . 72.420000000000002 110.792 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.458 HD13 ' HG3' ' A' ' 42' ' ' MET . 60.9 mt -70.2 -36.41 74.58 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.853 0.861 . . . . 73.310000000000002 111.264 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.748 HD13 HG21 ' A' ' 78' ' ' VAL . 83.0 mt -62.6 -43.12 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.028 0.931 . . . . 72.409999999999997 110.786 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -62.1 -27.45 68.93 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.518 0.727 . . . . 71.519999999999996 111.746 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.18 -40.94 62.19 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.641 -0.709 . . . . 72.510000000000005 111.182 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.03 -34.49 22.31 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.842 0.857 . . . . 73.230000000000004 112.521 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 83.7 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 123.457 0.551 . . . . 74.109999999999999 113.254 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -128.07 146.25 50.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.862 0.865 . . . . 75.040000000000006 110.449 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -76.15 95.68 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.297 0.639 . . . . 65.329999999999998 110.118 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 71' ' ' ILE . 89.8 t -106.34 127.08 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 124.014 0.926 . . . . 62.439999999999998 110.832 -175.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.3 m-85 -114.89 113.27 23.96 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.109 -1.441 . . . . 74.109999999999999 107.109 175.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 64' ' ' LEU . 37.7 tp -101.85 134.98 44.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.317 0.579 . . . . 52.210000000000001 111.254 -172.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -119.64 113.17 20.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.155 -1.054 . . . . 73.420000000000002 108.155 170.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 97' ' ' ILE . 94.9 mt -95.59 116.88 29.46 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.015 -1.106 . . . . 75.540000000000006 108.015 171.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -103.25 121.88 43.62 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.479 -0.934 . . . . 54.509999999999998 108.479 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 12.8 t70 -155.13 133.96 12.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.739 -1.208 . . . . 74.120000000000005 107.739 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -73.18 -18.64 61.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.251 0.62 . . . . 64.109999999999999 111.576 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.78 106.87 17.58 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.295 1.038 . . . . 74.219999999999999 108.466 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -22.16 66.17 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.372 0.878 . . . . 52.140000000000001 113.372 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -68.11 -60.49 2.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.642 0.377 . . . . 74.450000000000003 110.29 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.12 -26.52 62.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.348 0.659 . . . . 74.319999999999993 110.654 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 40.7 tp -60.87 -53.46 57.01 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.742 0.817 . . . . 74.400000000000006 111.031 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.89 -40.92 71.95 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.726 0.81 . . . . 75.329999999999998 111.053 -171.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 mt-10 -54.22 -44.39 71.63 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.562 0.745 . . . . 73.450000000000003 111.523 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -76.21 -35.23 59.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.297 0.639 . . . . 75.409999999999997 110.827 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.92 -51.14 69.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.154 1.382 . . . . 72.219999999999999 110.394 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.19 -29.36 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.981 0.912 . . . . 73.019999999999996 112.632 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 64.7 mttm -65.33 -48.56 72.63 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.252 0.621 . . . . 70.040000000000006 109.987 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.47 HD12 HD11 ' A' ' 82' ' ' LEU . 70.0 mt -72.53 -31.75 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 115.048 -0.978 . . . . 54.420000000000002 111.123 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.15 -30.46 69.6 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.053 -0.976 . . . . 74.140000000000001 109.828 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.9 t -79.43 -21.92 44.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.042 0.937 . . . . 73.409999999999997 111.279 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.04 -26.84 65.19 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.269 0.628 . . . . 75.120000000000005 110.865 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.49 37.08 1.5 Allowed Glycine 0 C--N 1.348 1.195 0 CA-C-N 116.134 -0.484 . . . . 72.140000000000001 112.154 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -116.32 137.44 52.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.415 0.686 . . . . 72.319999999999993 109.577 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.28 95.82 3.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.531 -0.914 . . . . 73.310000000000002 108.531 172.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.5 t -112.67 125.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.377 0.671 . . . . 74.439999999999998 109.842 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -105.91 156.42 18.38 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.411 0.684 . . . . 74.340000000000003 109.563 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -96.03 156.53 16.3 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.878 -1.056 . . . . 75.219999999999999 109.263 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -164.07 142.94 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.24 0.616 . . . . 74.310000000000002 110.723 170.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.3 p -111.72 -46.42 3.25 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.958 0.903 . . . . 71.099999999999994 110.105 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.35 149.82 31.59 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.306 0.642 . . . . 54.119999999999997 111.262 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.82 -38.35 62.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.44 0.696 . . . . 73.420000000000002 111.144 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.77 -39.07 80.4 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.06 0.457 . . . . 64.439999999999998 110.022 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.6 tt0 -67.47 -35.27 78.84 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.914 -1.039 . . . . 62.140000000000001 110.007 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.15 -52.54 63.99 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 123.997 0.811 . . . . 71.400000000000006 110.197 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.426 HD22 ' HG3' ' A' ' 21' ' ' GLU . 50.6 mt -59.83 -36.21 76.34 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 124.435 1.084 . . . . 74.010000000000005 110.961 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -78.31 -27.85 47.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.374 -0.83 . . . . 74.239999999999995 112.677 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -82.72 -28.47 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 109.576 -0.528 . . . . 53.140000000000001 109.576 174.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.1 t -60.82 -49.92 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 109.489 -0.56 . . . . 73.450000000000003 109.489 171.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.92 -18.69 62.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.584 -0.735 . . . . 71.150000000000006 111.383 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -68.33 -46.64 69.66 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.389 -0.597 . . . . 64.319999999999993 109.389 169.073 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 28.0 m-85 -63.31 -35.45 80.42 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.277 0.631 . . . . 71.140000000000001 112.149 175.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.536 ' SD ' HG12 ' A' ' 22' ' ' VAL . 57.2 mtm -71.34 -31.07 66.94 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.881 0.473 . . . . 74.310000000000002 111.542 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -64.7 -39.31 93.44 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.619 0.768 . . . . 75.430000000000007 110.086 173.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 62.1 mttm -66.6 -44.55 81.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.496 0.719 . . . . 74.049999999999997 110.029 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.551 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -67.91 -34.01 75.8 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.204 -1.362 . . . . 40.43 112.456 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.285 0 O-C-N 123.484 0.49 . . . . 73.420000000000002 113.549 178.068 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.057 -0.349 . . . . 64.209999999999994 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.483 HG21 ' HB1' ' A' ' 124' ' ' ALA . 65.1 mt -110.19 135.42 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 64.540000000000006 109.304 -177.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 76.8 mt -121.29 140.92 51.43 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.812 -0.81 . . . . 75.230000000000004 108.812 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mm -123.02 109.9 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 107.891 -1.151 . . . . 60.109999999999999 107.891 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -97.07 128.19 43.76 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.287 -1.375 . . . . 55.020000000000003 107.287 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.33 130.5 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-O 121.14 0.495 . . . . 64.450000000000003 109.881 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.9 114.87 18.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.729 1.212 . . . . 65.439999999999998 107.862 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -125.67 145.29 50.23 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.698 0.799 . . . . 74.109999999999999 109.381 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -81.6 -17.68 47.41 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 65.439999999999998 110.008 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' HB2' HD23 ' A' ' 14' ' ' LEU . 80.5 m-20 -102.57 117.04 33.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.051 0.94 . . . . 74.450000000000003 110.272 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.0 -25.49 63.68 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.576 1.15 . . . . 64.439999999999998 111.699 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.22 -51.41 58.41 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.208 1.003 . . . . 75.409999999999997 109.918 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -66.56 -27.84 68.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.58 -0.737 . . . . 72.519999999999996 112.474 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.644 HD11 HD21 ' A' ' 59' ' ' ASN . 64.6 mt -60.45 -51.64 70.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 118.201 0.455 . . . . 71.510000000000005 110.571 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 15.7 ptpt -75.59 -32.56 60.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.748 -0.66 . . . . 72.420000000000002 111.808 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -65.54 -46.4 79.68 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.471 0.708 . . . . 73.120000000000005 110.827 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.43 -35.48 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.969 0.908 . . . . 62.340000000000003 110.201 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -54.34 -42.52 70.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.924 0.329 . . . . 65.420000000000002 111.749 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 13.8 mmmm -73.36 -38.38 65.73 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.886 0.475 . . . . 70.030000000000001 110.854 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -56.16 -53.79 52.94 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.475 0.71 . . . . 64.549999999999997 111.651 172.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' SD ' ' A' ' 121' ' ' MET . 13.0 m -81.37 -11.44 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.059 -0.973 . . . . 64.239999999999995 111.697 -171.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.42 -43.67 71.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.567 1.147 . . . . 74.319999999999993 110.552 170.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -76.85 -25.2 52.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.812 -1.085 . . . . 75.230000000000004 111.189 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -98.74 -7.03 28.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.372 0.669 . . . . 72.439999999999998 112.263 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.23 43.93 77.81 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 114.783 0.673 . . . . 22.109999999999999 114.783 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.66 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 10.2 m-85 -103.44 102.76 12.69 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.808 -0.812 . . . . 75.230000000000004 108.808 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.76 116.5 8.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.794 0.838 . . . . 73.140000000000001 110.344 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.54 130.06 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.708 0.803 . . . . 72.019999999999996 111.446 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -119.37 120.26 36.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.442 1.097 . . . . 73.409999999999997 108.617 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.96 118.92 32.61 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.914 -0.772 . . . . 51.549999999999997 108.914 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.68 118.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.303 1.041 . . . . 72.439999999999998 108.524 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -129.76 5.17 5.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.919 1.288 . . . . 72.230000000000004 110.275 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.49 137.82 47.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.303 1.041 . . . . 75.349999999999994 108.474 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 p -64.87 -26.15 68.2 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.341 0.656 . . . . 74.409999999999997 111.92 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.587 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 14.2 m-20 -66.99 -43.92 81.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.552 0.341 . . . . 71.239999999999995 110.6 173.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.57 -35.34 80.65 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.9 0.75 . . . . 72.230000000000004 110.547 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 66' ' ' GLU . 4.4 tt -56.51 -52.15 65.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.839 0.856 . . . . 75.230000000000004 110.484 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 36' ' ' ASP . 51.9 mtmt -55.49 -57.72 10.75 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.0 0.813 . . . . 73.329999999999998 110.368 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.7 mmtp -49.46 -57.49 6.89 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 124.931 1.395 . . . . 65.409999999999997 111.858 -174.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.9 mm-40 -67.89 -35.5 78.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.646 -0.706 . . . . 64.030000000000001 111.284 -171.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 67' ' ' MET . 92.1 mmm -67.21 -35.21 79.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.374 0.421 . . . . 74.310000000000002 111.706 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.2 mmtt -65.82 -40.9 92.25 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.286 -0.635 . . . . 70.439999999999998 109.286 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.35 -36.83 85.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.096 0.958 . . . . 74.400000000000006 111.321 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD21 HG21 ' A' ' 54' ' ' ILE . 79.4 mt -64.96 -31.56 72.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.152 0.581 . . . . 75.010000000000005 111.236 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 123.351 0.661 . . . . 71.319999999999993 111.247 177.174 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 29.1 mtmm . . . . . 0 C--O 1.24 0.582 0 N-CA-C 109.544 -0.539 . . . . 70.409999999999997 109.544 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.514 HG21 HD21 ' A' ' 45' ' ' LEU . 50.6 mm -105.28 126.19 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.987 0.915 . . . . 62.109999999999999 109.318 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.58 127.9 48.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.691 -0.855 . . . . 73.299999999999997 108.691 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.485 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.9 mm -111.71 119.53 60.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 123.804 0.842 . . . . 72.25 108.966 175.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.517 HD13 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -95.47 128.86 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.868 -0.79 . . . . 73.340000000000003 108.868 171.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -140.61 122.89 15.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.737 -0.838 . . . . 60.329999999999998 108.737 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.644 HD21 HD11 ' A' ' 15' ' ' ILE . 18.8 m120 -80.03 -22.18 42.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.955 0.902 . . . . 53.420000000000002 111.269 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.47 117.37 30.76 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.488 -1.301 . . . . 74.420000000000002 107.488 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 34.9 pttt -70.79 -15.15 62.64 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.89 -0.595 . . . . 73.150000000000006 110.851 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.84 -55.64 21.4 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.53 0.732 . . . . 75.040000000000006 109.56 168.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.6 -27.31 67.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.264 -0.88 . . . . 64.400000000000006 111.019 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tt -62.08 -49.08 77.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.771 0.828 . . . . 70.040000000000006 110.03 173.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.26 -48.93 79.66 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.172 0.589 . . . . 65.519999999999996 111.404 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.6 mm-40 -56.8 -46.47 81.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.921 0.763 . . . . 72.010000000000005 110.196 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 42' ' ' MET . 40.6 tpp -55.03 -53.13 59.71 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.292 -1.322 . . . . 72.430000000000007 110.62 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.14 -42.81 99.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.979 0.912 . . . . 73.400000000000006 111.539 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.38 -32.96 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.007 0.523 . . . . 74.140000000000001 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.13 -42.64 79.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.79 0.436 . . . . 74.420000000000002 110.682 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 67' ' ' MET . 57.2 mt -66.29 -32.41 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 61.200000000000003 110.436 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.5 t -59.09 -40.5 85.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.714 0.806 . . . . 75.530000000000001 110.646 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -73.47 -28.14 61.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.151 -0.931 . . . . 74.430000000000007 111.058 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.51 -31.19 32.95 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.666 0.787 . . . . 45.210000000000001 111.573 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.15 61.23 4.06 Favored Glycine 0 C--N 1.348 1.225 0 C-N-CA 123.269 0.461 . . . . 75.120000000000005 113.423 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -121.27 149.4 42.95 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.309 0.644 . . . . 71.430000000000007 110.567 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -78.87 115.18 18.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.284 0.634 . . . . 61.549999999999997 110.298 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 43.4 t -107.35 135.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.707 0.803 . . . . 72.0 110.946 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.66 116.31 28.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.163 -1.421 . . . . 75.430000000000007 107.163 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 40.9 tp -110.61 129.16 55.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.296 1.038 . . . . 60.240000000000002 111.318 -172.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 37.3 tp -113.63 122.68 47.93 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.761 0.824 . . . . 63.420000000000002 109.728 172.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.87 117.84 34.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.982 0.913 . . . . 70.209999999999994 108.982 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -109.33 112.38 24.48 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.419 -0.586 . . . . 71.219999999999999 109.419 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.83 139.64 26.51 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.024 -0.732 . . . . 72.409999999999997 109.024 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -77.36 -20.49 54.71 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.777 0.831 . . . . 74.209999999999994 112.226 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.37 91.16 3.54 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.07 -0.715 . . . . 62.310000000000002 109.07 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 46.9 mt-10 -62.17 -11.05 12.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.166 0.986 . . . . 62.439999999999998 113.195 -176.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.31 -60.58 3.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.58 0.752 . . . . 65.450000000000003 110.597 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.17 -29.82 43.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.853 0.461 . . . . 52.020000000000003 110.579 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.654 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 26.9 tp -61.29 -36.1 79.15 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.943 0.897 . . . . 73.140000000000001 110.782 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.54 -48.23 80.4 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.032 0.533 . . . . 71.219999999999999 110.32 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.29 -50.41 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.082 -0.963 . . . . 71.040000000000006 110.992 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.8 -26.36 62.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.771 0.828 . . . . 70.329999999999998 111.171 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.77 -55.62 16.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.403 -0.591 . . . . 43.210000000000001 109.403 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -63.19 -27.83 69.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.714 0.806 . . . . 73.109999999999999 111.473 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.2 -58.41 7.8 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.552 1.141 . . . . 61.5 110.756 174.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.7 mt -81.52 -23.36 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 114.355 -1.293 . . . . 64.319999999999993 111.052 -173.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.26 -30.29 64.71 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 109.024 -0.732 . . . . 71.25 109.024 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.9 t -72.35 -29.68 64.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.426 0.691 . . . . 51.109999999999999 110.06 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -76.76 4.57 9.33 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.556 0.743 . . . . 64.420000000000002 111.468 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.85 22.61 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.024 0.345 . . . . 72.209999999999994 113.74 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 97' ' ' ILE . 74.6 m-85 -116.65 147.43 41.93 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.852 0.461 . . . . 75.430000000000007 110.985 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.62 93.02 2.99 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.654 -0.869 . . . . 73.120000000000005 108.654 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 t -112.03 116.92 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 109.642 -0.503 . . . . 55.119999999999997 109.642 -172.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -119.39 145.8 45.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.179 0.591 . . . . 61.049999999999997 109.768 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HB2' HD21 ' A' ' 90' ' ' LEU . 11.1 ptmm? -111.4 143.53 42.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.364 1.066 . . . . 71.140000000000001 110.37 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -147.13 153.77 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 123.533 0.733 . . . . 54.340000000000003 109.481 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -118.76 -31.69 4.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.885 0.874 . . . . 75.109999999999999 110.722 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.99 149.36 21.58 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.522 0.729 . . . . 72.140000000000001 111.553 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.06 -38.09 72.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.068 0.947 . . . . 70.450000000000003 111.637 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.42 -44.64 82.39 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.476 -0.784 . . . . 75.019999999999996 110.085 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.9 tt0 -75.48 -34.42 60.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.464 -0.789 . . . . 60.219999999999999 110.694 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.23 -47.67 68.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.46 0.704 . . . . 72.340000000000003 111.157 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 72.8 mt -58.92 -44.28 91.27 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.117 0.886 . . . . 73.530000000000001 110.344 176.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -67.62 -32.7 73.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.418 0.687 . . . . 73.329999999999998 112.267 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.4 mm -74.8 -32.86 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 109.698 -0.482 . . . . 61.009999999999998 109.698 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.55 -40.66 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.632 -0.507 . . . . 64.219999999999999 109.632 169.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 32.9 mtp180 -67.4 -30.24 69.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.44 0.696 . . . . 73.200000000000003 111.246 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.26 -49.8 70.46 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.588 -0.523 . . . . 60.240000000000002 109.588 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.436 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.8 m-30 -60.3 -40.78 91.75 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.244 -0.889 . . . . 73.439999999999998 111.664 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.736 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -72.58 -30.42 64.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.547 0.739 . . . . 73.150000000000006 111.887 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -66.25 -47.32 74.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.746 0.818 . . . . 75.200000000000003 111.146 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -80.44 -35.69 34.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.824 -1.08 . . . . 65.340000000000003 110.672 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.33 -32.86 72.23 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.866 -0.606 . . . . 64.5 109.465 169.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.272 0 O-C-N 123.595 0.56 . . . . 74.430000000000007 112.276 173.168 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.363 -0.977 . . . . 64.349999999999994 108.363 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.78 131.25 40.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.373 -0.973 . . . . 64.129999999999995 108.373 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HB2' HG22 ' A' ' 78' ' ' VAL . 20.3 mt -109.57 141.2 42.41 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.573 -1.194 . . . . 63.140000000000001 108.033 -177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.3 mm -111.78 104.86 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.063 -1.458 . . . . 71.329999999999998 107.063 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -90.82 132.24 36.0 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.638 -1.616 . . . . 60.140000000000001 106.638 -179.472 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.5 HD12 HD21 ' A' ' 55' ' ' LEU . 67.3 mt -136.28 137.44 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.446 -0.576 . . . . 63.229999999999997 109.446 -176.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 58' ' ' SER . 2.9 t-20 -132.34 115.29 15.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.101 0.96 . . . . 74.230000000000004 109.415 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 139.59 53.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.514 -0.921 . . . . 70.299999999999997 108.514 169.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.18 -17.48 56.75 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.034 0.533 . . . . 72.239999999999995 110.308 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -96.54 123.44 40.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.22 1.008 . . . . 63.240000000000002 111.014 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.5 m-20 -59.36 -30.92 68.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.99 1.316 . . . . 71.540000000000006 112.376 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.02 -55.67 31.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.264 1.026 . . . . 74.209999999999994 110.282 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.93 -24.86 66.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.152 0.581 . . . . 75.439999999999998 111.92 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 12' ' ' ASP . 70.1 mt -59.84 -58.7 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.639 -0.504 . . . . 73.25 109.639 174.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -29.22 66.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.072 0.549 . . . . 54.43 111.993 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.72 -55.92 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.509 0.724 . . . . 72.310000000000002 110.747 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.48 -33.21 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 124.182 0.926 . . . . 74.329999999999998 110.813 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.6 mttt -51.57 -44.62 62.81 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.475 0.484 . . . . 65.510000000000005 110.923 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -78.88 -44.43 22.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.509 0.723 . . . . 73.140000000000001 111.495 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -49.1 -51.45 31.68 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.536 0.735 . . . . 74.400000000000006 112.066 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG23 HG22 ' A' ' 29' ' ' VAL . 5.7 m -85.11 -19.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.165 -0.925 . . . . 61.350000000000001 111.688 -171.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.36 -46.68 83.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.288 1.035 . . . . 73.209999999999994 110.284 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -79.01 1.18 24.78 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.136 -0.938 . . . . 50.299999999999997 112.212 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.71 2.48 21.88 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.744 0.818 . . . . 70.049999999999997 111.566 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.84 15.92 69.12 Favored Glycine 0 N--CA 1.473 1.164 0 N-CA-C 114.912 0.725 . . . . 71.030000000000001 114.912 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -100.66 124.48 46.31 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.227 0.611 . . . . 74.439999999999998 109.778 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.72 107.43 6.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.101 0.961 . . . . 74.420000000000002 109.562 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 22' ' ' VAL . 3.5 t -78.83 132.23 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.519 0.727 . . . . 72.120000000000005 110.767 -172.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -127.9 149.76 50.17 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 107.554 -1.276 . . . . 72.129999999999995 107.554 166.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.14 141.9 51.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.774 -0.825 . . . . 75.430000000000007 108.774 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG12 HD13 ' A' ' 63' ' ' LEU . 55.5 t -121.95 114.8 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 62.219999999999999 108.093 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -111.78 -1.58 15.56 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.266 1.026 . . . . 72.200000000000003 111.003 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -150.41 155.69 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.7 0.286 . . . . 74.150000000000006 110.611 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 p -60.37 -28.67 68.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.334 1.054 . . . . 70.109999999999999 112.457 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 25.6 t70 -60.73 -52.04 66.8 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.513 0.508 . . . . 63.049999999999997 109.694 172.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -59.26 -37.3 77.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.435 1.085 . . . . 74.230000000000004 110.854 -177.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.7 tt -54.18 -57.43 11.18 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 114.507 -1.224 . . . . 64.329999999999998 110.344 173.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.04 -39.78 75.49 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.26 0.975 . . . . 70.530000000000001 111.594 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 29.2 mmmt -62.32 -43.72 98.16 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.955 0.784 . . . . 74.409999999999997 110.449 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 24.4 mm-40 -83.43 -21.27 32.99 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.881 0.697 . . . . 74.439999999999998 112.881 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.56 -36.02 80.15 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.893 -0.41 . . . . 65.340000000000003 109.893 170.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -57.47 -45.23 85.06 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.177 0.923 . . . . 72.420000000000002 110.068 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 38.7 mmtm -61.72 -38.76 89.09 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.829 0.705 . . . . 64.409999999999997 111.114 -175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.39 -21.74 65.58 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.989 0.516 . . . . 75.319999999999993 112.02 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.433 0.693 . . . . 55.399999999999999 111.409 178.71 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 107.897 -1.149 . . . . 64.239999999999995 107.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -98.11 132.19 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 109.068 -0.716 . . . . 64.129999999999995 109.068 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 7' ' ' ILE . 9.1 tt -117.39 127.46 54.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.18 -1.044 . . . . 51.039999999999999 108.18 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 67' ' ' MET . 20.8 mm -111.73 128.73 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 109.275 -0.639 . . . . 74.109999999999999 109.275 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.93 127.51 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 107.772 -1.196 . . . . 63.039999999999999 107.772 169.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.2 t -131.81 135.62 46.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.152 -1.425 . . . . 61.520000000000003 107.152 174.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -88.09 -8.05 56.06 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.325 0.25 . . . . 74.209999999999994 110.789 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -112.36 125.04 53.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.924 0.89 . . . . 62.210000000000001 109.373 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.2 pttm -75.25 -27.37 59.45 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.277 0.631 . . . . 73.219999999999999 112.083 -174.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -67.82 -42.2 81.86 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 109.596 -0.52 . . . . 60.210000000000001 109.596 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 90.7 mt -61.35 -43.67 98.48 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.825 0.703 . . . . 62.530000000000001 109.658 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 80' ' ' LEU . 2.3 tt -54.69 -42.21 71.15 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.741 0.816 . . . . 73.230000000000004 112.003 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 51.7 mtpt -65.11 -54.86 23.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.084 0.554 . . . . 73.420000000000002 110.821 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -54.43 -41.63 69.58 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.967 0.792 . . . . 73.430000000000007 110.833 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 6' ' ' LEU . 36.4 ttm -57.61 -51.84 67.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.431 1.492 . . . . 64.310000000000002 111.314 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.16 -22.31 61.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.574 0.75 . . . . 73.400000000000006 111.795 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 11.9 mm-40 -64.24 -52.06 60.61 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.895 -0.78 . . . . 73.239999999999995 108.895 170.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.28 -37.56 87.93 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.223 -1.353 . . . . 63.130000000000003 111.785 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.668 HG21 HG21 ' A' ' 78' ' ' VAL . 85.0 mt -70.76 -35.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.425 0.69 . . . . 74.310000000000002 110.85 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -65.49 -32.47 74.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.716 0.406 . . . . 64.409999999999997 110.602 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -71.5 -32.18 67.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.052 0.541 . . . . 75.319999999999993 110.582 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.19 -34.66 66.1 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.603 0.761 . . . . 60.100000000000001 110.419 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.44 83.12 0.43 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.384 -0.825 . . . . 62.039999999999999 112.195 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.5 148.15 50.49 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.882 0.873 . . . . 72.329999999999998 110.26 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -82.1 100.28 9.69 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.491 -1.3 . . . . 75.0 107.491 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 71' ' ' ILE . 57.8 t -110.95 134.28 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.752 0.821 . . . . 54.140000000000001 110.747 -176.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -100.41 127.79 46.65 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.682 -1.229 . . . . 64.450000000000003 107.682 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 64' ' ' LEU . 39.5 tp -115.0 132.37 56.62 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.309 0.644 . . . . 75.219999999999999 111.413 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 20.9 tp -113.78 126.09 54.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.071 0.548 . . . . 73.310000000000002 109.829 169.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 90' ' ' LEU . 95.6 mt -112.06 115.0 28.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.838 0.855 . . . . 74.140000000000001 109.552 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.8 112.42 25.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.856 0.862 . . . . 75.219999999999999 108.993 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -154.8 137.39 15.15 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.104 -1.073 . . . . 74.310000000000002 108.104 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -74.71 -14.6 60.75 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.46 0.704 . . . . 70.519999999999996 112.811 -172.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -106.16 83.58 1.92 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.061 -0.718 . . . . 55.5 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 40.2 mt-10 -62.01 -22.79 65.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.731 1.212 . . . . 72.400000000000006 113.408 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -62.66 -58.1 8.68 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.189 0.596 . . . . 70.439999999999998 110.598 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.36 -29.2 62.48 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.016 0.526 . . . . 61.039999999999999 110.596 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 57.6 tp -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.407 1.083 . . . . 74.420000000000002 111.668 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.36 -38.5 65.68 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.195 0.598 . . . . 73.040000000000006 110.362 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.95 -32.45 71.98 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.01 0.819 . . . . 65.0 111.216 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -80.6 -35.67 33.84 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.758 0.823 . . . . 74.409999999999997 110.455 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 28.2 ttpp -62.18 -51.29 68.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.867 0.867 . . . . 73.340000000000003 111.08 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -60.37 -23.98 64.72 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.285 0.991 . . . . 71.230000000000004 112.911 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -63.39 -56.3 17.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.625 0.77 . . . . 74.030000000000001 110.063 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.6 mt -78.39 -27.99 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 114.321 -1.309 . . . . 65.340000000000003 110.734 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.75 -33.59 72.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.335 1.054 . . . . 73.019999999999996 109.621 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 -20.99 57.62 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.762 0.825 . . . . 75.420000000000002 110.578 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.14 4.94 15.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.307 0.643 . . . . 64.230000000000004 111.338 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.71 40.72 7.57 Favored Glycine 0 C--N 1.35 1.353 0 C-N-CA 122.81 0.243 . . . . 75.030000000000001 112.774 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -120.95 134.85 55.31 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.484 0.714 . . . . 75.140000000000001 109.393 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.51 93.78 3.6 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.501 -0.925 . . . . 71.420000000000002 108.501 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 80' ' ' LEU . 15.3 t -108.51 131.43 59.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.549 -0.75 . . . . 73.310000000000002 109.296 -174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -121.41 159.55 25.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.32 0.648 . . . . 75.25 110.29 172.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 48.9 mtpt -96.74 154.9 17.02 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.681 -1.145 . . . . 71.099999999999994 109.554 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -160.28 151.43 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.585 -0.734 . . . . 73.209999999999994 109.977 168.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.7 p -120.32 -39.98 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.431 1.093 . . . . 62.329999999999998 110.141 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.11 157.2 18.4 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.916 0.886 . . . . 71.030000000000001 111.933 -169.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.54 -50.18 40.23 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.867 1.267 . . . . 73.409999999999997 111.735 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 5.9 pt-20 -62.08 -43.13 99.5 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 124.254 0.971 . . . . 75.010000000000005 109.362 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 111' ' ' GLU . 8.9 tp10 -69.18 -35.57 76.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 114.475 -1.239 . . . . 74.230000000000004 110.512 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.81 -50.61 71.85 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.512 0.725 . . . . 33.420000000000002 110.686 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.78 -40.55 95.57 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.965 0.791 . . . . 62.420000000000002 110.26 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.26 -45.05 74.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.941 0.896 . . . . 72.420000000000002 112.552 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.28 -32.05 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.589 0.356 . . . . 41.520000000000003 110.533 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 113' ' ' ALA . 65.1 t -61.36 -45.83 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 109.536 -0.542 . . . . 73.530000000000001 109.536 172.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -67.62 -22.44 65.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.349 0.66 . . . . 72.209999999999994 111.499 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.73 -48.98 57.49 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.953 0.501 . . . . 62.109999999999999 109.893 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.5 m-85 -58.85 -43.15 90.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.92 0.888 . . . . 73.420000000000002 111.785 176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.413 ' HE2' HG12 ' A' ' 117' ' ' VAL . 71.5 mtm -73.57 -27.04 61.11 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.629 0.772 . . . . 71.040000000000006 111.809 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -68.54 -43.83 75.83 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.24 0.616 . . . . 74.239999999999995 110.262 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.75 -46.0 73.36 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.428 -0.805 . . . . 74.230000000000004 109.524 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.81 74.64 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.141 -0.936 . . . . 53.0 110.761 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.298 0 O-C-N 123.734 0.646 . . . . 71.540000000000006 112.583 178.561 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.8 ttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.852 -0.425 . . . . 71.439999999999998 109.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt 178.11 125.36 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.563 1.545 . . . . 55.32 107.259 164.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.3 mt -103.47 126.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 123.351 0.66 . . . . 72.140000000000001 109.376 -167.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.9 mt -110.57 106.86 16.28 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.346 -1.353 . . . . 73.099999999999994 107.346 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.8 103.74 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 107.59 -1.263 . . . . 73.430000000000007 107.59 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.01 124.65 34.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.752 -1.203 . . . . 75.519999999999996 107.752 -172.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 55' ' ' LEU . 64.7 mt -132.19 121.54 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.33 0.652 . . . . 74.310000000000002 109.387 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' HB3' HD23 ' A' ' 82' ' ' LEU . 23.8 t-20 -109.0 117.3 33.85 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 107.585 -1.265 . . . . 62.310000000000002 107.585 170.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.2 t -124.01 147.56 47.7 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.391 0.677 . . . . 72.209999999999994 109.328 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -83.32 -17.15 43.43 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.189 0.595 . . . . 71.409999999999997 110.906 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.598 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.7 m120 -109.11 134.6 51.49 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.825 0.45 . . . . 70.540000000000006 111.176 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.22 -24.91 64.98 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.094 0.958 . . . . 65.219999999999999 110.975 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.589 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 22.9 mt-10 -57.32 -48.11 79.82 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.885 0.874 . . . . 73.109999999999999 110.016 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.4 mm? -61.41 -37.5 83.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.544 -0.753 . . . . 73.409999999999997 111.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG22 ' HE2' ' A' ' 19' ' ' LYS . 54.8 mt -56.24 -51.68 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 123.665 0.603 . . . . 73.340000000000003 110.543 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 63.1 pttt -73.11 -33.87 65.82 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.671 -0.695 . . . . 75.299999999999997 111.995 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 50.3 mtpt -66.45 -41.23 89.4 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 110.29 -0.263 . . . . 75.549999999999997 110.29 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -39.01 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.012 0.925 . . . . 75.310000000000002 110.326 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 61.6 mttm -54.9 -36.09 64.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.945 0.498 . . . . 52.229999999999997 111.204 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.6 -42.71 24.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.156 0.583 . . . . 75.5 110.659 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.78 -33.4 61.33 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.914 0.886 . . . . 63.240000000000002 112.812 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.0 m -107.66 -1.73 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.114 0.566 . . . . 73.219999999999999 111.887 -173.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.8 -42.26 97.73 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.162 0.985 . . . . 54.039999999999999 110.553 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.44 -2.25 58.28 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.271 -0.877 . . . . 62.130000000000003 111.469 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 31.5 mm-40 -102.66 -10.65 19.04 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.262 0.625 . . . . 71.319999999999993 111.987 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.1 29.77 62.07 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 114.508 0.563 . . . . 52.310000000000002 114.508 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -106.25 111.28 23.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.295 0.638 . . . . 75.310000000000002 109.453 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.16 107.79 7.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.947 0.899 . . . . 74.239999999999995 110.673 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.87 135.54 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.661 0.784 . . . . 64.510000000000005 109.945 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 56' ' ' ILE . 17.5 mmm180 -124.5 112.08 16.45 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.08 1.352 . . . . 70.010000000000005 107.748 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -94.73 116.98 29.4 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.384 -0.969 . . . . 75.120000000000005 108.384 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG12 HD13 ' A' ' 63' ' ' LEU . 30.0 t -115.55 114.05 45.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 108.309 -0.997 . . . . 42.439999999999998 108.309 -176.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.5 14.83 4.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.634 0.774 . . . . 74.319999999999993 110.819 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -147.39 142.54 27.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.267 0.627 . . . . 72.099999999999994 109.495 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.4 p -60.9 -36.62 79.73 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.517 1.127 . . . . 63.329999999999998 113.564 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.28 -45.29 92.1 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.43 0.456 . . . . 62.439999999999998 110.166 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 17.4 mm-40 -60.92 -40.49 93.4 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.225 0.953 . . . . 71.439999999999998 110.416 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.62 -58.58 6.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.414 1.086 . . . . 64.340000000000003 110.653 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.32 -23.12 65.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.998 0.919 . . . . 73.329999999999998 112.697 -172.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.08 -60.56 2.32 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.065 0.546 . . . . 73.409999999999997 110.451 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 8.3 pt-20 -77.51 -28.77 52.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.545 0.572 . . . . 73.209999999999994 112.545 -166.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.466 ' HG2' ' SD ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -69.5 -37.34 77.15 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 120.785 0.326 . . . . 74.340000000000003 110.319 -178.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -60.71 -33.11 72.39 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 115.923 -0.581 . . . . 63.43 110.15 172.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.4 -31.91 70.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.031 0.533 . . . . 73.239999999999995 110.931 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.51 -27.69 68.65 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 110.311 -0.255 . . . . 71.239999999999995 110.311 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.62 -39.56 16.01 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.227 0.611 . . . . 70.109999999999999 111.493 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -84.15 -21.3 31.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.742 0.817 . . . . 73.120000000000005 112.111 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -93.63 106.88 18.81 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 106.587 -1.635 . . . . 75.200000000000003 106.587 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -74.78 -5.61 44.38 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.338 0.655 . . . . 72.299999999999997 111.531 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -61.1 138.23 58.21 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.611 0.764 . . . . 72.530000000000001 111.974 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -80.42 85.45 5.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.504 -0.771 . . . . 72.230000000000004 109.087 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.74 143.16 38.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.492 0.717 . . . . 71.239999999999995 111.337 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -84.5 98.99 10.42 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.753 1.221 . . . . 71.439999999999998 108.657 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 mm -117.08 147.38 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.535 0.683 . . . . 64.030000000000001 109.469 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -127.52 122.72 34.09 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 106.314 -1.735 . . . . 70.129999999999995 106.314 174.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 6' ' ' LEU . 27.4 mm -104.66 111.0 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.933 -0.765 . . . . 55.43 108.933 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.4 mt -94.1 124.21 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.777 -1.194 . . . . 71.519999999999996 107.777 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -139.03 116.66 11.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.061 -1.459 . . . . 70.329999999999998 107.061 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 15' ' ' ILE . 2.2 m-20 -87.24 -0.99 57.57 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.704 0.802 . . . . 72.400000000000006 110.547 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.24 109.52 21.54 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.223 -1.399 . . . . 34.030000000000001 107.223 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -67.79 -25.25 65.5 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.011 0.925 . . . . 72.230000000000004 111.941 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 56.5 tp60 -66.34 -44.56 82.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.7 0.4 . . . . 71.140000000000001 110.023 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -68.31 -30.82 69.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.152 0.581 . . . . 64.340000000000003 110.743 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 9.4 tt -63.88 -46.61 84.12 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.03 0.532 . . . . 72.530000000000001 110.045 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 53.0 mtpt -55.09 -54.2 46.19 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.876 0.735 . . . . 75.209999999999994 110.103 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.99 -43.88 86.82 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.796 1.31 . . . . 73.200000000000003 110.427 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 6' ' ' LEU . 59.3 tpp -56.08 -52.27 64.88 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.752 1.282 . . . . 32.130000000000003 110.436 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 71' ' ' ILE . 78.0 mt -67.77 -31.57 71.55 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.187 0.595 . . . . 74.349999999999994 112.312 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 23.2 mm-40 -64.75 -48.15 75.6 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.251 -0.648 . . . . 70.439999999999998 109.251 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HB3' ' SD ' ' A' ' 42' ' ' MET . 20.3 mt -56.43 -44.69 80.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.379 1.072 . . . . 73.239999999999995 110.552 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.649 HD12 HD23 ' A' ' 68' ' ' LEU . 86.8 mt -64.85 -40.09 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.724 0.81 . . . . 64.239999999999995 110.651 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -65.46 -33.94 77.11 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.802 0.689 . . . . 74.0 111.057 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 60.5 mmtt -70.83 -26.72 63.42 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.348 0.405 . . . . 71.129999999999995 110.433 177.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.6 mt -93.63 -20.77 19.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.162 0.985 . . . . 61.450000000000003 111.151 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.9 43.55 97.37 Favored Glycine 0 C--N 1.348 1.235 0 O-C-N 123.723 0.639 . . . . 50.109999999999999 114.066 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.589 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.1 m-30 -86.99 146.26 26.2 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 117.161 0.48 . . . . 72.230000000000004 110.192 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.53 126.29 30.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.914 -0.402 . . . . 74.420000000000002 109.914 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 71' ' ' ILE . 93.9 t -121.43 138.27 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.87 0.868 . . . . 63.310000000000002 110.551 -177.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -120.36 114.73 22.27 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 106.717 -1.586 . . . . 75.530000000000001 106.717 166.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 66.6 tp -104.74 129.5 52.96 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.108 0.963 . . . . 71.430000000000007 112.06 -170.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 HG21 ' A' ' 116' ' ' ILE . 52.6 tp -118.82 112.97 20.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.375 1.07 . . . . 74.129999999999995 108.8 172.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.6 mt -99.6 130.37 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.452 0.701 . . . . 74.219999999999999 109.819 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 51.3 tt0 -131.0 104.33 7.06 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.263 -1.014 . . . . 43.450000000000003 108.263 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 10.3 t70 -137.17 140.9 42.13 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.439 -1.319 . . . . 72.530000000000001 107.439 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.61 -42.89 70.36 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.4 0.437 . . . . 75.540000000000006 110.547 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.57 114.67 25.43 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.582 -0.896 . . . . 72.140000000000001 108.582 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.678 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.2 mt-10 -79.5 -6.59 57.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.137 0.791 . . . . 70.049999999999997 113.137 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -74.87 -25.74 59.18 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.755 -0.832 . . . . 75.319999999999993 108.755 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.78 -56.94 3.43 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.663 0.785 . . . . 61.509999999999998 109.522 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.678 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 31.8 tp -52.32 -52.82 50.97 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.88 1.272 . . . . 64.219999999999999 112.889 -174.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -70.35 -47.78 59.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.363 0.665 . . . . 65.450000000000003 111.277 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 40.3 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.127 0.571 . . . . 73.349999999999994 111.534 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 31.4 t80 -67.32 -40.98 86.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.879 0.872 . . . . 73.439999999999998 110.013 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 106' ' ' LYS . 28.0 tttm -57.13 -54.46 46.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.02 1.328 . . . . 72.329999999999998 111.298 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 11.2 ptm180 -71.17 -22.19 62.07 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.298 0.999 . . . . 72.120000000000005 111.73 -167.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 97.0 mttt -61.97 -46.51 88.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.477 0.656 . . . . 75.430000000000007 110.383 171.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.8 mt -83.7 -28.03 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.943 1.297 . . . . 74.430000000000007 110.741 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 41.5 tt0 -74.82 -33.74 62.23 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 64.150000000000006 109.784 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -65.47 -20.49 66.37 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.219 0.608 . . . . 73.430000000000007 110.935 174.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -87.83 1.68 53.34 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.002 0.921 . . . . 71.439999999999998 111.267 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.72 6.32 83.05 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-O 119.45 -0.639 . . . . 60.229999999999997 114.349 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.31 143.71 50.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 117.104 0.452 . . . . 73.439999999999998 109.952 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.56 94.82 0.79 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.764 -0.828 . . . . 71.230000000000004 108.764 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.5 t -111.17 125.98 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.104 0.562 . . . . 73.010000000000005 109.549 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -119.49 143.58 47.47 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.835 0.854 . . . . 60.039999999999999 109.497 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 50.8 mtmt -96.52 153.26 17.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.754 -0.832 . . . . 74.040000000000006 108.754 170.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.52 148.28 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.675 0.609 . . . . 74.25 110.203 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 p -129.3 -11.66 4.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.502 1.121 . . . . 65.319999999999993 110.18 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 112' ' ' GLU . 19.9 m-20 -89.92 134.79 34.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.751 0.82 . . . . 54.439999999999998 109.468 174.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 6.2 p-10 -73.4 -40.98 63.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.628 0.371 . . . . 74.439999999999998 111.46 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 39.7 mt-10 -72.83 -41.0 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.365 0.666 . . . . 62.119999999999997 109.794 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . 13.7 tp10 -65.35 -38.14 89.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.992 0.807 . . . . 74.319999999999993 110.565 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.77 -47.65 67.36 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.633 0.773 . . . . 72.030000000000001 110.826 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.48 HD11 ' HE2' ' A' ' 17' ' ' LYS . 67.0 mt -60.59 -34.42 74.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 124.429 1.081 . . . . 71.5 111.265 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 10.7 mmpt? -76.04 -35.33 59.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 110.689 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 81' ' ' LEU . 24.2 mm -65.06 -35.72 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.071 0.549 . . . . 63.310000000000002 109.691 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 113' ' ' ALA . 44.8 t -62.72 -37.13 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 115.799 -0.637 . . . . 45.210000000000001 109.946 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -65.44 -35.12 79.98 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.091 0.556 . . . . 74.329999999999998 111.464 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.98 -53.99 52.13 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.278 -0.638 . . . . 65.319999999999993 109.278 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.4 m-30 -56.4 -44.88 80.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 114.55 -1.205 . . . . 74.209999999999994 112.507 -175.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.761 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.2 mtm -69.37 -36.11 76.51 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.45 0.7 . . . . 73.219999999999999 112.457 -178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.41 -35.18 58.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.852 0.461 . . . . 75.25 111.093 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -76.13 -40.46 52.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.502 0.721 . . . . 73.329999999999998 109.991 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.18 76.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.612 0.765 . . . . 74.340000000000003 110.313 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.01 -34.87 90.35 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 115.825 -0.625 . . . . 61.100000000000001 112.401 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.3 m -70.35 -21.97 62.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.808 0.843 . . . . 52.229999999999997 111.638 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.8 mt -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.146 0.978 . . . . 54.119999999999997 109.992 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -69.35 -65.19 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.957 0.903 . . . . 71.540000000000006 109.573 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -80.4 109.0 14.48 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 107.446 -1.316 . . . . 54.149999999999999 107.446 164.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -59.5 98.18 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.609 1.163 . . . . 64.209999999999994 112.155 -170.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -80.17 -175.22 4.93 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.3 -0.864 . . . . 73.209999999999994 109.392 167.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -70.38 153.32 43.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.789 0.436 . . . . 72.25 109.956 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -59.75 121.1 10.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.177 0.591 . . . . 74.030000000000001 111.676 -171.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 CA--C 1.554 1.119 0 C-N-CA 123.969 0.907 . . . . 70.239999999999995 109.323 178.209 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HB2' ' HD1' ' A' ' 51' ' ' PHE . 33.9 mtt . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 107.818 -1.179 . . . . 53.43 107.818 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -142.67 133.68 25.75 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.567 0.747 . . . . 53.310000000000002 109.391 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -98.46 114.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 107.936 -1.135 . . . . 64.530000000000001 107.936 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' ' 78' ' ' VAL . 52.8 mt -113.88 111.07 21.12 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.73 -0.47 . . . . 63.119999999999997 109.73 -169.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.2 mm -83.76 102.09 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 106.799 -1.556 . . . . 72.430000000000007 106.799 171.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.44 127.04 35.79 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.769 -1.567 . . . . 65.439999999999998 106.769 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.454 HD12 HD21 ' A' ' 55' ' ' LEU . 86.8 mt -133.54 117.75 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.243 -1.021 . . . . 75.129999999999995 108.243 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.699 ' HB2' HD13 ' A' ' 64' ' ' LEU . 4.4 t30 -106.72 109.46 21.37 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 108.037 -1.097 . . . . 45.530000000000001 108.037 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 15' ' ' ILE . 2.1 t -128.83 130.46 46.97 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.578 -0.897 . . . . 53.149999999999999 108.578 169.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -87.65 -12.29 45.93 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.358 -0.608 . . . . 71.120000000000005 109.358 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.61 117.36 29.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.3 1.04 . . . . 71.109999999999999 109.874 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.36 -34.29 73.65 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.517 1.127 . . . . 62.439999999999998 112.17 -176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -58.12 -49.89 75.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.813 0.845 . . . . 74.209999999999994 110.03 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.2 mm? -71.96 -27.34 62.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.822 -0.626 . . . . 74.349999999999994 111.808 -176.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 66.1 mt -58.54 -61.8 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.056 -0.72 . . . . 70.140000000000001 109.056 172.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 21.9 ptmt -63.11 -34.64 78.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 112.954 0.724 . . . . 72.319999999999993 112.954 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.69 -52.19 53.44 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.294 0.638 . . . . 51.229999999999997 111.237 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' A' ' 113' ' ' ALA . 78.0 mt -61.54 -34.96 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 115.533 -0.758 . . . . 71.310000000000002 110.751 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 49.3 mtmt -60.7 -37.33 81.32 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.491 0.316 . . . . 63.149999999999999 111.276 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -71.55 -44.09 65.19 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.763 0.425 . . . . 61.119999999999997 110.776 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -48.65 -45.2 38.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.588 0.755 . . . . 73.439999999999998 112.36 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.643 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 8.1 m -90.36 -18.03 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 115.406 -0.815 . . . . 72.400000000000006 112.356 -174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.72 -46.94 85.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.798 0.839 . . . . 75.530000000000001 110.546 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.09 -11.51 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.149 -0.932 . . . . 73.099999999999994 111.762 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -99.77 5.51 45.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.565 0.746 . . . . 62.140000000000001 110.819 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.91 33.07 78.67 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 115.168 0.827 . . . . 71.310000000000002 115.168 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.643 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 24.7 m-85 -94.93 114.02 25.81 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.357 0.663 . . . . 75.239999999999995 109.765 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -68.95 107.34 3.07 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.928 -1.033 . . . . 72.230000000000004 109.013 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.17 117.27 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.571 -0.741 . . . . 72.140000000000001 109.91 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' HD13 ' A' ' 56' ' ' ILE . 25.8 mmm180 -116.69 109.14 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.523 -1.658 . . . . 72.310000000000002 106.523 173.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.21 141.96 33.34 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.25 -0.648 . . . . 73.109999999999999 109.25 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 63' ' ' LEU . 67.4 t -128.84 115.93 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.121 0.969 . . . . 64.040000000000006 108.647 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -118.57 -1.47 11.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.959 0.903 . . . . 74.439999999999998 110.357 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -143.87 149.19 36.56 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.501 0.721 . . . . 60.43 109.751 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -59.95 -34.69 73.6 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.924 0.89 . . . . 75.439999999999998 112.791 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.7 t70 -63.94 -44.74 91.93 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.278 -0.391 . . . . 73.349999999999994 110.519 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.93 -37.45 79.53 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 124.039 0.837 . . . . 73.439999999999998 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.1 tt -58.55 -51.87 68.04 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.447 -1.251 . . . . 74.450000000000003 110.861 174.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.57 -24.57 63.71 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.437 0.695 . . . . 71.409999999999997 111.786 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 32.4 mmmt -65.21 -45.87 83.0 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 108.462 -0.94 . . . . 73.510000000000005 108.462 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 44.0 mm-40 -72.1 -30.71 65.35 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 115.513 -0.767 . . . . 64.109999999999999 112.876 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.497 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.9 mmt -61.18 -35.99 78.63 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 118.62 0.645 . . . . 62.340000000000003 110.687 176.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -62.12 -51.8 66.46 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.978 -1.01 . . . . 72.010000000000005 110.25 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -62.33 -33.61 75.03 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.692 1.197 . . . . 62.439999999999998 112.612 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 81.0 mt -67.15 -48.64 67.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.129 0.572 . . . . 42.399999999999999 110.422 177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.14 72.91 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.578 -0.737 . . . . 72.430000000000007 111.802 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -90.73 -10.39 43.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.047 0.939 . . . . 71.400000000000006 112.261 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -109.38 117.92 35.29 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.161 -1.051 . . . . 75.120000000000005 108.161 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -13.04 21.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.181 0.593 . . . . 63.229999999999997 111.18 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -82.76 133.45 35.15 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.48 0.712 . . . . 73.019999999999996 110.159 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.487 ' HD1' ' HB2' ' A' ' 1' ' ' MET . 3.1 p90 -80.32 78.11 7.03 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 122.424 1.107 . . . . 62.140000000000001 110.301 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -88.44 158.64 18.3 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 113.93 -1.487 . . . . 75.120000000000005 109.133 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 27' ' ' TYR . 12.9 mptt -66.95 93.98 0.3 Allowed 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.034 -0.728 . . . . 73.109999999999999 109.034 171.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.69 115.29 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.372 -0.973 . . . . 63.299999999999997 108.372 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 7' ' ' ILE . 6.5 tt -108.08 121.95 45.87 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.382 -1.34 . . . . 73.420000000000002 107.382 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.0 mm -105.11 111.43 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.55 -0.907 . . . . 75.540000000000006 108.55 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.0 mt -88.22 139.13 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.593 -0.891 . . . . 73.409999999999997 108.593 169.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 34.9 t -133.14 131.9 41.0 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.599 -1.26 . . . . 74.219999999999999 107.599 171.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -86.04 -27.6 24.67 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.253 0.549 . . . . 74.219999999999999 110.19 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.58 130.98 55.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.289 1.036 . . . . 70.329999999999998 110.067 -173.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -75.05 -19.72 59.88 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.568 0.747 . . . . 72.019999999999996 112.621 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 55.4 tp60 -77.18 -37.35 53.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.139 -0.689 . . . . 71.219999999999999 109.139 173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 32' ' ' VAL . 56.4 mt -62.01 -38.81 90.06 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 109.5 -0.555 . . . . 55.039999999999999 109.5 171.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 8' ' ' ASN . 3.4 tp -58.96 -43.38 91.29 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.165 -0.47 . . . . 72.129999999999995 111.182 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -57.19 -57.5 12.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.865 0.466 . . . . 72.439999999999998 110.627 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 38' ' ' LEU . 4.7 mm-40 -55.28 -45.14 76.18 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 124.186 0.929 . . . . 65.409999999999997 109.808 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.473 ' O ' HG13 ' A' ' 71' ' ' ILE . 37.2 tpp -51.3 -63.91 0.98 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.14 1.376 . . . . 55.210000000000001 110.573 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.23 -32.09 72.89 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.468 1.107 . . . . 54.409999999999997 112.927 -170.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.81 -34.16 57.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.769 0.428 . . . . 73.420000000000002 110.105 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.497 HD13 ' HG3' ' A' ' 42' ' ' MET . 59.1 mt -72.97 -28.76 62.59 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.125 0.57 . . . . 71.040000000000006 110.675 171.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 67' ' ' MET . 84.1 mt -77.89 -24.91 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.102 0.561 . . . . 73.019999999999996 110.318 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.9 t -63.14 -43.6 97.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.357 0.663 . . . . 75.109999999999999 110.693 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -19.29 59.14 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.356 -0.384 . . . . 65.219999999999999 111.336 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 71' ' ' ILE . 76.6 mt -78.52 -28.73 46.27 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.459 0.704 . . . . 72.25 110.669 172.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.83 58.84 7.72 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 123.483 0.563 . . . . 62.149999999999999 113.817 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.493 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 21.7 m-85 -107.25 161.23 14.97 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.178 0.591 . . . . 73.329999999999998 111.902 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' HG2' HD13 ' A' ' 127' ' ' LEU . 56.0 tptt -89.6 96.24 10.61 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.006 -0.997 . . . . 73.120000000000005 108.654 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 4' ' ' LEU . 67.1 t -105.37 127.74 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.572 0.749 . . . . 75.439999999999998 111.27 -174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.26 113.77 27.53 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 107.163 -1.421 . . . . 71.150000000000006 107.163 171.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 6' ' ' LEU . 42.2 tp -104.22 136.43 43.84 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.138 0.575 . . . . 44.299999999999997 111.594 -173.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -118.37 113.26 21.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.52 1.128 . . . . 72.129999999999995 108.597 170.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 97' ' ' ILE . 39.5 mt -98.31 119.99 37.94 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.383 0.673 . . . . 73.530000000000001 110.698 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -114.84 136.71 52.79 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.217 1.007 . . . . 61.039999999999999 108.655 171.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 90' ' ' LEU . 3.1 t70 -142.11 178.45 7.54 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.193 -1.04 . . . . 73.329999999999998 108.193 -177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -96.48 -37.31 10.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.609 0.764 . . . . 75.200000000000003 109.508 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -109.38 135.02 51.11 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.863 0.865 . . . . 74.329999999999998 110.673 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.99 -36.07 69.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.106 0.963 . . . . 70.030000000000001 111.822 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 5.8 m-20 -59.79 -51.8 68.2 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.787 0.68 . . . . 51.310000000000002 110.913 -173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.83 -32.49 52.21 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.808 0.693 . . . . 72.400000000000006 110.982 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 84' ' ' ASP . 26.1 tp -56.47 -48.12 77.77 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.568 0.747 . . . . 72.140000000000001 110.414 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 13.4 tp10 -67.98 -51.91 41.96 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.151 0.98 . . . . 72.140000000000001 110.471 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 3.3 tm-20 -47.51 -45.3 26.39 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.976 1.71 . . . . 65.010000000000005 111.151 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.74 -35.67 44.36 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.888 -1.505 . . . . 75.209999999999994 112.026 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.37 -40.41 97.18 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.06 0.944 . . . . 74.120000000000005 111.04 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 74.2 mtp180 -60.26 -34.36 73.6 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.239 1.016 . . . . 73.209999999999994 111.494 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.63 -47.77 74.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.086 0.955 . . . . 75.219999999999999 110.814 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 82' ' ' LEU . 49.5 mt -76.58 -30.77 19.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 114.868 -1.06 . . . . 52.130000000000003 111.007 -174.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.43 -35.26 80.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.61 -0.723 . . . . 73.430000000000007 109.962 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -71.69 -20.89 61.86 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.588 0.755 . . . . 73.329999999999998 111.118 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.91 -6.28 50.12 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.395 0.678 . . . . 75.209999999999994 111.23 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.27 5.05 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.919 0.295 . . . . 70.420000000000002 112.402 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -119.58 141.26 49.42 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.465 0.706 . . . . 75.420000000000002 109.388 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.65 91.26 1.86 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.733 -1.21 . . . . 74.439999999999998 107.733 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.85 123.54 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.313 -0.625 . . . . 50.439999999999998 109.313 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -117.5 148.98 41.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 71.409999999999997 108.866 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HE3' ' HG ' ' A' ' 90' ' ' LEU . 51.6 mtpt -97.0 157.34 15.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.701 0.8 . . . . 72.530000000000001 110.105 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -159.79 144.68 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.618 0.767 . . . . 63.439999999999998 110.358 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.5 p -137.56 -12.09 1.57 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.684 0.794 . . . . 73.019999999999996 110.89 166.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -93.42 144.29 25.48 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.302 0.573 . . . . 70.150000000000006 112.245 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.61 ' HA ' HD11 ' A' ' 14' ' ' LEU . 19.6 t70 -58.69 -58.07 10.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.178 1.391 . . . . 70.439999999999998 113.059 -175.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.99 -36.14 83.44 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.531 0.732 . . . . 43.420000000000002 111.344 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.6 tt0 -62.74 -42.85 99.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.541 1.136 . . . . 73.310000000000002 110.821 -174.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 18' ' ' ILE . . . -53.79 -44.81 70.41 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.752 0.821 . . . . 74.439999999999998 111.425 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 25.3 mt -62.1 -46.96 86.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.275 0.984 . . . . 71.540000000000006 109.74 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 99.5 mttt -61.17 -43.19 99.28 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.382 1.073 . . . . 61.240000000000002 112.602 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 112' ' ' GLU . 16.5 mm -65.33 -40.11 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 121.28 0.562 . . . . 73.010000000000005 109.823 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.5 t -65.98 -36.1 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 114.999 -1.001 . . . . 65.420000000000002 110.808 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 96.8 mtt180 -60.34 -36.66 78.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.254 0.621 . . . . 74.310000000000002 110.817 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 31.4 mt-10 -67.06 -47.02 72.57 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 115.877 -0.601 . . . . 51.030000000000001 110.928 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 5' ' ' ILE . 14.4 m-30 -60.21 -41.62 93.39 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.52 0.728 . . . . 74.129999999999995 111.962 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.56 ' SD ' HG12 ' A' ' 22' ' ' VAL . 79.4 mtm -65.03 -38.72 91.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.59 0.756 . . . . 73.530000000000001 111.246 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -66.18 -39.23 89.56 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.635 0.774 . . . . 74.299999999999997 111.533 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 60.8 mttp -75.15 -46.33 35.0 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.706 0.803 . . . . 73.209999999999994 111.245 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.14 91.91 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.52 1.128 . . . . 72.030000000000001 112.42 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -25.12 60.99 Favored Glycine 0 C--N 1.347 1.182 0 O-C-N 123.983 0.802 . . . . 50.310000000000002 114.05 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.7 m -76.67 -37.13 56.73 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.432 0.693 . . . . 74.340000000000003 111.007 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.524 HD13 ' HG2' ' A' ' 77' ' ' LYS . 52.1 mt -74.24 -20.87 60.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.878 0.871 . . . . 75.109999999999999 111.894 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.89 -26.09 67.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.752 0.821 . . . . 72.310000000000002 111.589 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -85.22 16.48 3.57 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.243 0.617 . . . . 73.329999999999998 110.99 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -110.57 85.36 2.1 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 108.061 -1.089 . . . . 61.32 108.061 168.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -86.97 -23.71 24.97 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.242 -0.89 . . . . 72.329999999999998 110.498 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.12 27.99 2.01 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 40.030000000000001 110.473 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.41 -22.84 65.37 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.123 0.969 . . . . 72.129999999999995 111.39 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 108.31 -0.996 . . . . 75.519999999999996 108.31 159.569 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 40.0 mtm . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 110.194 -0.299 . . . . 75.439999999999998 110.194 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER 76.57 115.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.36 1.864 . . . . 41.100000000000001 109.654 -162.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 127' ' ' LEU . 29.6 mt -106.24 141.32 21.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 124.756 1.223 . . . . 61.130000000000003 108.099 171.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -109.47 107.29 17.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.019 -1.104 . . . . 75.129999999999995 108.019 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.1 mm -83.37 106.15 13.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.836 -1.542 . . . . 75.409999999999997 106.836 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.29 124.15 36.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.955 -1.498 . . . . 73.120000000000005 106.955 -176.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.67 120.59 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 108.636 -0.875 . . . . 70.340000000000003 108.636 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.1 t30 -120.14 112.8 19.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 107.453 -1.314 . . . . 73.230000000000004 107.453 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -118.63 146.64 44.49 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.486 0.714 . . . . 63.439999999999998 109.987 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -84.53 -29.71 25.72 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.984 0.914 . . . . 70.400000000000006 109.024 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' HD23 ' A' ' 14' ' ' LEU . 72.9 m-20 -101.02 120.12 39.73 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.739 0.816 . . . . 72.450000000000003 110.768 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.14 -40.28 89.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.674 1.361 . . . . 41.329999999999998 114.674 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.88 -25.79 67.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.315 0.246 . . . . 71.040000000000006 111.279 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HG ' ' OE1' ' A' ' 83' ' ' GLN . 4.1 mm? -66.28 -32.96 74.69 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 122.769 0.428 . . . . 74.409999999999997 111.586 178.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 76.0 mt -57.8 -61.57 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 109.365 -0.606 . . . . 74.510000000000005 109.365 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.68 -31.49 71.63 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.922 0.764 . . . . 62.109999999999999 112.343 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.1 mtpp -72.63 -51.46 19.49 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.169 0.588 . . . . 74.140000000000001 111.712 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.68 -31.92 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.766 0.826 . . . . 74.109999999999999 111.127 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HD2' HG11 ' A' ' 29' ' ' VAL . 28.6 mmmt -44.83 -49.65 10.7 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.718 1.207 . . . . 74.430000000000007 111.006 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.19 -40.82 19.18 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.295 -0.866 . . . . 71.409999999999997 111.289 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -47.25 -39.7 14.9 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 123.653 0.781 . . . . 74.129999999999995 112.227 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 55' ' ' LEU . 6.9 m -102.65 -22.61 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.422 -0.808 . . . . 64.230000000000004 112.819 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.67 -47.97 80.81 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.481 0.712 . . . . 75.120000000000005 110.598 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -71.46 -16.32 62.36 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 114.919 -1.037 . . . . 71.310000000000002 111.985 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.49 4.23 51.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.535 0.734 . . . . 73.239999999999995 111.906 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.27 67.03 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.607 -0.269 . . . . 73.049999999999997 113.679 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -98.9 110.72 23.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.226 -1.027 . . . . 75.439999999999998 108.226 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.13 106.25 1.93 Allowed 'General case' 0 C--N 1.35 0.615 0 O-C-N 123.767 0.667 . . . . 64.530000000000001 109.551 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG11 ' HD2' ' A' ' 19' ' ' LYS . 2.4 t -78.53 125.45 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 121.16 0.505 . . . . 65.109999999999999 109.926 -173.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HB2' HD13 ' A' ' 56' ' ' ILE . 21.0 mmm180 -126.41 152.83 45.82 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 125.853 1.661 . . . . 70.239999999999995 107.421 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.83 143.07 40.81 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.367 -0.605 . . . . 41.240000000000002 109.367 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.84 118.19 48.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 124.337 1.055 . . . . 45.229999999999997 108.581 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -127.8 21.02 6.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.695 0.798 . . . . 73.439999999999998 109.807 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -150.75 139.76 21.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.811 0.844 . . . . 73.310000000000002 110.174 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.8 p -68.37 -36.85 79.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.895 0.878 . . . . 74.349999999999994 113.249 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.95 -34.22 77.48 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.686 0.394 . . . . 61.509999999999998 110.298 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mm-40 -65.02 -46.82 79.74 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.396 -0.82 . . . . 73.209999999999994 110.559 172.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.84 -44.05 69.99 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.458 1.103 . . . . 75.140000000000001 111.805 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -64.33 -39.97 94.95 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.135 -0.939 . . . . 74.239999999999995 110.688 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -76.11 -22.83 55.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.302 0.641 . . . . 73.040000000000006 112.218 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 14.7 mm-40 -61.04 -53.33 58.45 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.786 -0.82 . . . . 62.439999999999998 108.786 168.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.51 ' HG3' HD13 ' A' ' 70' ' ' LEU . 24.4 mmt -61.08 -25.06 66.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.886 -1.052 . . . . 71.109999999999999 112.735 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -59.0 -55.86 29.71 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 123.751 0.657 . . . . 54.25 109.438 170.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -73.92 -32.53 63.58 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.888 0.875 . . . . 64.230000000000004 111.871 -172.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.5 mt -66.29 -29.82 70.11 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.692 0.797 . . . . 71.129999999999995 110.565 177.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -93.79 -30.0 15.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.517 0.727 . . . . 64.239999999999995 111.904 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.61 -26.84 61.83 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.212 0.605 . . . . 72.439999999999998 110.582 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -102.6 143.09 32.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.678 -0.86 . . . . 74.109999999999999 108.678 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 46' ' ' ALA . 34.2 mmtp -128.98 -5.28 5.03 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.482 0.713 . . . . 75.349999999999994 111.649 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.45 169.9 5.49 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.646 0.736 . . . . 63.539999999999999 111.041 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -90.73 30.83 1.12 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.61 -1.177 . . . . 74.140000000000001 111.474 -170.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 38.9 mt-10 -82.58 97.28 8.39 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.566 0.746 . . . . 61.409999999999997 109.83 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HD2' ' HG2' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -71.2 131.07 42.98 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.189 0.596 . . . . 75.349999999999994 111.164 -174.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.0 mm -111.52 148.06 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 108.468 -0.938 . . . . 62.420000000000002 108.468 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -118.65 125.57 50.03 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 107.758 -1.201 . . . . 62.299999999999997 107.758 174.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' HD22 ' A' ' 6' ' ' LEU . 26.0 mm -110.98 114.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 109.39 -0.596 . . . . 72.340000000000003 109.39 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.93 124.99 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.435 -0.95 . . . . 61.439999999999998 108.435 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 45.3 t -124.95 146.31 49.43 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.874 -1.158 . . . . 55.009999999999998 107.874 172.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' OD1' HD11 ' A' ' 15' ' ' ILE . 39.9 m-80 -109.26 -0.23 19.28 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.909 0.483 . . . . 74.329999999999998 110.827 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.96 133.39 53.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.613 0.765 . . . . 41.509999999999998 109.873 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -73.91 -26.84 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.782 0.833 . . . . 71.150000000000006 112.389 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -73.2 -39.75 65.3 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 110.038 -0.356 . . . . 71.219999999999999 110.038 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.0 -43.74 98.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.105 0.562 . . . . 65.25 109.669 171.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -58.77 -45.07 90.63 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.402 -0.817 . . . . 54.509999999999998 111.219 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -59.06 -59.29 5.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 63.509999999999998 110.959 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.042 0.839 . . . . 72.409999999999997 111.103 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 71' ' ' ILE . 35.4 tpp -53.08 -63.62 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.551 1.157 . . . . 54.43 110.275 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 78' ' ' VAL . 59.8 mt -64.7 -34.2 77.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.595 0.758 . . . . 75.530000000000001 112.538 -171.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.48 -37.67 80.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.28 0.632 . . . . 62.119999999999997 111.102 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD13 ' HG3' ' A' ' 42' ' ' MET . 84.9 mt -71.61 -35.26 70.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.938 0.495 . . . . 61.229999999999997 110.999 175.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 67' ' ' MET . 77.7 mt -65.56 -34.38 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.421 0.689 . . . . 72.409999999999997 110.209 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.1 m -65.06 -32.02 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.688 -0.687 . . . . 60.030000000000001 110.783 174.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -78.62 -26.02 45.23 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.338 0.655 . . . . 62.049999999999997 110.784 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 46' ' ' ALA . 88.0 mt -79.02 -24.4 43.69 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 63.409999999999997 110.552 175.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.05 37.02 13.34 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 116.055 -0.521 . . . . 63.039999999999999 113.077 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -113.6 159.69 19.35 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.19 0.596 . . . . 72.329999999999998 110.204 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -102.61 136.59 42.16 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.532 -0.914 . . . . 62.210000000000001 108.532 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 68' ' ' LEU . 52.5 t -109.7 140.79 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.484 1.114 . . . . 74.109999999999999 110.71 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.29 115.08 28.72 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.537 -1.653 . . . . 72.120000000000005 106.537 165.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 6' ' ' LEU . 47.2 tp -109.68 124.45 51.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.131 0.572 . . . . 74.200000000000003 110.588 -170.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 tp -108.33 113.36 26.38 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.649 -0.871 . . . . 73.450000000000003 108.649 170.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.61 114.0 27.65 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.554 -0.906 . . . . 61.039999999999999 108.554 172.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' HG3' HG13 ' A' ' 107' ' ' VAL . 48.7 tt0 -110.02 117.62 34.25 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.775 -0.824 . . . . 71.099999999999994 108.775 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -138.66 168.44 19.78 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.414 -0.587 . . . . 70.349999999999994 109.414 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -90.86 -13.17 34.22 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.361 0.664 . . . . 64.150000000000006 111.526 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.63 121.1 37.59 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.689 0.796 . . . . 62.450000000000003 109.123 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.03 -23.33 44.39 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.967 0.907 . . . . 61.109999999999999 113.374 -176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -71.29 -49.27 44.6 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.537 0.608 . . . . 73.319999999999993 109.962 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.74 -33.66 75.31 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.876 -0.602 . . . . 41.240000000000002 109.977 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.59 -44.67 95.74 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.429 -1.26 . . . . 72.319999999999993 110.997 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -68.4 -49.69 58.23 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.885 0.874 . . . . 51.409999999999997 111.079 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 47.5 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.574 0.75 . . . . 72.219999999999999 112.104 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.42 -35.79 73.62 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.328 0.392 . . . . 64.209999999999994 110.527 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -59.99 -52.9 63.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.409 0.684 . . . . 70.239999999999995 111.603 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -66.09 -22.7 66.42 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.86 0.725 . . . . 72.319999999999993 112.513 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.3 mttm -63.33 -44.94 93.45 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.831 0.824 . . . . 64.030000000000001 110.703 171.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 60.8 mt -83.65 -26.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 114.422 -1.263 . . . . 74.209999999999994 111.289 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.64 -24.18 67.5 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.11 1.364 . . . . 72.209999999999994 110.87 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -67.32 -19.18 65.42 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.51 1.124 . . . . 64.209999999999994 112.365 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.99 1.17 45.0 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.548 0.739 . . . . 71.120000000000005 112.276 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.83 31.79 55.1 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-O 121.18 0.322 . . . . 71.109999999999999 112.922 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -109.26 129.24 55.51 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.627 0.771 . . . . 64.420000000000002 108.929 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.17 97.07 0.5 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 109.557 -0.534 . . . . 65.329999999999998 109.557 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 80' ' ' LEU . 21.5 t -100.1 135.92 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.474 -0.935 . . . . 73.25 108.474 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.3 tpt180 -118.95 151.49 38.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.209 0.604 . . . . 74.25 110.707 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.35 140.88 31.15 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.15 0.98 . . . . 65.439999999999998 108.843 168.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG13 ' HG3' ' A' ' 83' ' ' GLN . 14.0 p -156.27 142.56 10.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 O-C-N 123.498 0.499 . . . . 74.430000000000007 110.04 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.9 p -122.73 -29.36 4.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.663 1.185 . . . . 64.129999999999995 109.88 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.15 129.08 34.08 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.329 0.652 . . . . 74.409999999999997 109.258 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -67.74 -43.16 80.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.587 0.755 . . . . 74.099999999999994 111.016 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.32 -38.24 87.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.956 -0.565 . . . . 64.230000000000004 110.55 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.1 tp10 -68.66 -37.94 80.04 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.523 -0.762 . . . . 73.219999999999999 109.838 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -54.84 -45.98 74.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.854 0.862 . . . . 64.420000000000002 112.11 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 17' ' ' LYS . 62.5 mt -55.73 -45.33 77.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.992 0.917 . . . . 64.239999999999995 110.833 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.71 -43.99 97.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.603 -1.181 . . . . 54.340000000000003 111.165 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 105' ' ' ARG . 33.4 mm -66.51 -37.24 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.902 0.481 . . . . 61.229999999999997 111.024 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 113' ' ' ALA . 81.5 t -58.3 -44.14 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.125 0.57 . . . . 71.409999999999997 110.389 175.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.51 -24.92 64.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.831 -1.077 . . . . 63.509999999999998 111.245 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.61 -48.51 54.72 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.494 0.318 . . . . 73.450000000000003 110.168 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -57.05 -39.1 74.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.751 0.82 . . . . 64.129999999999995 112.4 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -67.02 -41.28 86.91 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.909 0.755 . . . . 75.129999999999995 111.322 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.13 -41.36 97.24 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.203 0.601 . . . . 73.200000000000003 110.856 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.82 -39.57 56.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.09 0.956 . . . . 62.420000000000002 111.024 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.34 -38.78 43.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.853 0.861 . . . . 72.540000000000006 111.945 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -51.45 -32.56 30.87 Favored Glycine 0 CA--C 1.537 1.456 0 O-C-N 124.488 1.118 . . . . 71.010000000000005 115.178 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.2 p -68.6 -54.28 17.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.183 0.593 . . . . 54.149999999999999 110.985 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.559 ' HB2' HD11 ' A' ' 3' ' ' ILE . 57.4 mt -73.85 -25.75 60.22 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.274 0.629 . . . . 74.200000000000003 110.137 -175.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' HG2' ' HD2' ' A' ' 53' ' ' LYS . 10.5 tp10 -68.29 -55.31 12.56 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.875 1.27 . . . . 63.420000000000002 110.72 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -67.82 -10.44 52.93 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 115.644 -0.707 . . . . 74.540000000000006 111.633 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -107.42 -176.65 3.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.718 1.207 . . . . 74.310000000000002 109.982 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -92.07 -72.09 0.61 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.777 -0.453 . . . . 73.099999999999994 109.777 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -132.42 133.34 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.11 0.481 . . . . 74.310000000000002 110.944 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -111.15 -8.48 14.4 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 107.946 -1.131 . . . . 62.229999999999997 107.946 160.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 125.725 1.61 . . . . 73.120000000000005 107.437 179.61 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 tpp . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.437 -0.579 . . . . 75.209999999999994 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -159.86 146.17 15.97 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.142 0.577 . . . . 64.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.89 128.84 75.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 123.974 0.91 . . . . 72.230000000000004 108.637 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 68.2 mt -116.9 136.84 52.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.207 -1.034 . . . . 45.329999999999998 108.207 174.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' HB ' HD12 ' A' ' 55' ' ' LEU . 21.9 mm -104.97 110.92 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.562 -1.273 . . . . 74.400000000000006 107.562 173.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.671 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -94.33 127.39 40.17 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.309 -1.367 . . . . 74.209999999999994 107.309 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -131.19 118.91 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.402 -0.592 . . . . 72.230000000000004 109.402 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HD23 ' A' ' 82' ' ' LEU . 21.4 t-20 -111.18 118.5 36.13 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.749 -1.204 . . . . 61.539999999999999 107.749 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -125.66 145.8 50.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.557 -0.905 . . . . 74.340000000000003 108.557 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.62 -28.35 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.385 0.428 . . . . 72.25 110.399 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 38.4 t-20 -102.7 135.87 43.56 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.856 0.863 . . . . 54.130000000000003 110.799 -166.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.04 -30.33 71.3 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.147 0.979 . . . . 74.299999999999997 111.883 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.95 -51.09 70.55 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.759 0.662 . . . . 70.340000000000003 109.979 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.0 mm? -64.78 -35.61 81.65 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.474 -0.785 . . . . 73.010000000000005 111.264 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.4 mt -56.12 -63.44 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 109.593 -0.521 . . . . 65.219999999999999 109.593 177.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -65.05 -31.31 72.47 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.451 0.7 . . . . 61.350000000000001 112.881 -172.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -69.77 -49.21 55.16 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.921 0.489 . . . . 74.040000000000006 110.91 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.78 -33.98 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.344 0.658 . . . . 70.439999999999998 110.764 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.9 mtpt -58.36 -38.48 77.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.184 0.593 . . . . 65.329999999999998 110.823 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.16 -42.5 55.89 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.895 0.478 . . . . 70.099999999999994 110.852 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -50.2 -37.38 34.94 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.973 0.909 . . . . 75.109999999999999 112.474 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 29' ' ' VAL . 10.3 m -102.35 -17.93 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.116 0.566 . . . . 73.010000000000005 112.345 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.8 -50.23 74.62 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.061 0.945 . . . . 44.240000000000002 109.97 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.95 6.42 13.38 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.699 -1.137 . . . . 74.430000000000007 111.81 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -113.81 13.18 18.41 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.198 0.999 . . . . 71.530000000000001 111.67 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.77 24.22 72.72 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 114.636 0.615 . . . . 53.210000000000001 114.636 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -98.34 115.6 28.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.382 -0.97 . . . . 74.510000000000005 108.382 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.98 103.77 0.63 Allowed 'General case' 0 C--O 1.243 0.755 0 O-C-N 123.987 0.804 . . . . 60.140000000000001 109.474 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 22' ' ' VAL . 3.0 t -76.89 119.21 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.286 -0.87 . . . . 64.5 110.396 -170.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -128.53 144.44 51.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.815 1.246 . . . . 74.340000000000003 108.14 176.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -141.95 138.17 31.76 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.877 -0.786 . . . . 65.140000000000001 108.877 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 63' ' ' LEU . 53.2 t -98.73 115.89 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 114.792 -1.095 . . . . 62.020000000000003 108.762 -173.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.34 -38.59 30.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.207 0.603 . . . . 74.239999999999995 111.594 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.31 165.03 29.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.857 0.863 . . . . 70.219999999999999 110.902 -163.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 38.0 t -53.41 -40.03 64.77 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.547 1.139 . . . . 74.219999999999999 112.697 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 23.5 m-20 -66.84 -40.07 87.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.172 -0.442 . . . . 74.349999999999994 110.83 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' HG13 ' A' ' 32' ' ' VAL . 36.9 mm-40 -58.94 -39.63 82.19 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.309 0.644 . . . . 71.549999999999997 110.083 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.7 tp -56.15 -61.3 2.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.234 1.014 . . . . 72.450000000000003 110.209 174.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.33 -28.32 69.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.174 -0.921 . . . . 71.010000000000005 111.697 -171.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 74.3 mmtt -70.39 -53.24 17.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.248 0.619 . . . . 72.239999999999995 110.424 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.57 -31.18 63.48 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.994 0.738 . . . . 65.439999999999998 112.994 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.625 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 89.1 mmm -66.73 -30.04 70.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.614 0.366 . . . . 70.420000000000002 111.463 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 58.8 mttp -63.65 -41.73 98.19 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.228 0.611 . . . . 34.329999999999998 110.741 171.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -34.79 78.67 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.654 0.596 . . . . 74.430000000000007 110.782 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.56 -40.77 84.93 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.587 -0.733 . . . . 74.140000000000001 110.213 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.25 65.67 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.296 0.638 . . . . 72.299999999999997 112.546 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.7 mt-10 -78.4 -0.04 27.58 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.52 0.933 . . . . 60.520000000000003 113.52 -176.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -144.87 140.35 28.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.244 0.474 . . . . 64.5 111.643 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -23.73 15.31 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.874 0.869 . . . . 65.420000000000002 111.489 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.75 154.47 41.81 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.001 0.921 . . . . 53.109999999999999 109.726 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.12 72.44 2.22 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.841 0.857 . . . . 75.319999999999993 112.383 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.02 111.33 10.12 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.001 -1.481 . . . . 72.209999999999994 107.001 168.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -80.9 86.14 6.1 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.771 0.669 . . . . 75.239999999999995 109.302 -170.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.17 113.63 40.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 75.109999999999999 107.133 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD22 HG21 ' A' ' 22' ' ' VAL . 5.0 tt -91.21 127.6 36.71 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.086 -1.079 . . . . 71.340000000000003 108.086 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.702 HG21 ' SD ' ' A' ' 67' ' ' MET . 21.9 mm -111.22 133.07 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.345 -0.613 . . . . 71.030000000000001 109.345 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.24 123.7 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.904 -1.147 . . . . 71.439999999999998 107.904 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.0 t -121.31 116.46 24.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.511 -1.292 . . . . 72.510000000000005 107.511 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -77.3 -19.22 56.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.14 0.976 . . . . 73.209999999999994 110.886 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.43 140.39 36.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.712 1.205 . . . . 75.140000000000001 109.408 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.08 -35.62 69.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.431 0.692 . . . . 62.009999999999998 112.317 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 57.4 tp60 -75.42 -40.61 57.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.505 0.322 . . . . 53.439999999999998 110.479 -173.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD13 HG12 ' A' ' 32' ' ' VAL . 96.7 mt -60.78 -36.9 80.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.073 0.549 . . . . 42.229999999999997 110.474 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 7.7 tt -61.1 -49.21 78.22 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.204 0.94 . . . . 53.329999999999998 110.562 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -55.66 -57.39 12.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.969 0.793 . . . . 71.129999999999995 110.803 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 21.1 mm-40 -52.96 -47.2 68.33 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.661 1.225 . . . . 74.150000000000006 110.682 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 56' ' ' ILE . 31.6 ttm -57.23 -53.9 52.89 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.63 1.206 . . . . 65.5 111.515 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 71' ' ' ILE . 97.1 mt -67.07 -28.5 68.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.124 0.57 . . . . 65.540000000000006 112.19 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -74.81 -32.03 61.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.173 0.589 . . . . 75.510000000000005 111.118 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.98 -37.67 72.73 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.162 0.585 . . . . 75.310000000000002 110.042 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 68' ' ' LEU . 85.8 mt -70.31 -30.28 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.769 0.828 . . . . 54.240000000000002 110.809 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -60.16 -35.76 76.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.181 0.592 . . . . 61.32 110.302 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -71.69 -36.05 70.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.605 0.762 . . . . 74.349999999999994 110.983 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.69 -25.62 59.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.704 0.802 . . . . 72.5 111.554 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.89 30.51 59.35 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 115.973 -0.558 . . . . 70.209999999999994 114.075 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -90.57 136.15 33.25 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.513 -0.551 . . . . 64.150000000000006 109.513 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -79.69 114.07 18.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.235 -1.024 . . . . 74.129999999999995 108.235 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.3 t -101.67 140.73 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.992 -0.549 . . . . 44.450000000000003 111.386 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -108.6 116.39 31.88 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.734 -1.58 . . . . 71.120000000000005 106.734 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 104' ' ' VAL . 60.2 tp -104.59 128.91 52.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.235 0.614 . . . . 71.329999999999998 110.446 -173.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 tp -112.7 117.12 31.35 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.032 -0.729 . . . . 60.520000000000003 109.032 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 8' ' ' ASN . 94.4 mt -104.88 118.36 36.36 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.136 -0.69 . . . . 43.420000000000002 109.136 173.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -109.48 112.59 24.79 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.074 -1.454 . . . . 53.210000000000001 107.074 173.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 10.1 m-20 -128.16 174.9 8.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.152 -0.931 . . . . 72.209999999999994 109.276 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.06 -30.65 12.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.945 -0.57 . . . . 63.310000000000002 109.897 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.09 127.42 53.18 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.145 -0.687 . . . . 75.519999999999996 109.145 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -76.98 -24.89 52.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.978 0.733 . . . . 62.399999999999999 112.978 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.85 -43.45 71.89 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 110.01 -0.367 . . . . 73.200000000000003 110.01 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -79.36 -35.27 41.13 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.279 1.032 . . . . 71.310000000000002 109.887 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 16.6 tp -54.15 -50.99 65.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.371 1.068 . . . . 73.239999999999995 110.406 171.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.93 -39.58 69.35 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.529 0.732 . . . . 73.239999999999995 111.235 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.32 -46.65 72.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.282 1.033 . . . . 75.420000000000002 110.823 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -81.27 -35.04 31.62 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.99 0.916 . . . . 63.0 110.969 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -60.42 -52.76 63.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.314 1.046 . . . . 70.219999999999999 111.58 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.46 -24.45 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.183 0.993 . . . . 73.430000000000007 112.465 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -63.6 -49.56 72.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.926 0.89 . . . . 71.549999999999997 109.873 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -82.65 -33.09 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.495 -1.684 . . . . 75.109999999999999 110.514 -171.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.5 -36.18 82.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.175 0.99 . . . . 75.230000000000004 108.787 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.8 t -70.52 -20.8 62.8 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.345 -0.843 . . . . 72.329999999999998 111.431 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -77.41 -4.06 43.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.245 0.618 . . . . 75.209999999999994 111.722 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.97 39.7 4.26 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 112.334 -0.306 . . . . 44.240000000000002 112.334 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -118.04 135.91 53.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.403 0.681 . . . . 75.120000000000005 109.429 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.61 102.71 8.11 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 108.776 -0.824 . . . . 74.409999999999997 108.776 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 80' ' ' LEU . 5.6 t -118.16 139.67 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.214 0.606 . . . . 63.409999999999997 110.069 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -120.31 156.8 30.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.53 0.732 . . . . 72.109999999999999 109.372 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -94.24 141.87 28.07 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.757 -0.831 . . . . 72.329999999999998 108.757 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 p -155.16 142.03 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 123.867 0.729 . . . . 73.239999999999995 110.807 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.9 p -123.47 -29.83 3.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.21 1.004 . . . . 61.030000000000001 109.995 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.01 143.27 32.63 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.556 0.743 . . . . 63.409999999999997 109.904 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.557 ' HA ' HD11 ' A' ' 14' ' ' LEU . 6.3 p-10 -74.49 -35.21 63.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.586 0.354 . . . . 70.409999999999997 111.582 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.66 -49.77 56.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.04 0.536 . . . . 61.340000000000003 109.802 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 116' ' ' ILE . 26.4 mm-40 -58.51 -38.98 78.85 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.085 0.865 . . . . 65.439999999999998 110.82 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.65 -51.45 63.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.908 0.883 . . . . 33.409999999999997 111.178 177.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.02 -35.09 74.33 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.915 0.759 . . . . 72.239999999999995 110.961 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' HG2' ' NH2' ' A' ' 118' ' ' ARG . 96.2 mttt -71.04 -46.22 62.48 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.295 -0.866 . . . . 61.240000000000002 111.267 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 112' ' ' GLU . 41.3 mm -70.41 -27.65 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.25 0.62 . . . . 64.510000000000005 110.434 -175.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -57.62 -48.7 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.425 -0.583 . . . . 72.129999999999995 109.425 168.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' NH2' ' HG2' ' A' ' 115' ' ' LYS . 82.0 mtm-85 -70.17 -22.17 62.99 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.69 -0.686 . . . . 75.0 111.629 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -70.91 -46.92 61.68 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.218 0.607 . . . . 72.140000000000001 109.95 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -66.39 -35.41 80.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.626 0.77 . . . . 65.200000000000003 112.012 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.535 ' SD ' HG12 ' A' ' 22' ' ' VAL . 69.1 mtm -73.23 -24.92 60.55 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.666 0.604 . . . . 62.130000000000003 110.806 174.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -72.93 -46.74 50.86 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.467 0.707 . . . . 65.25 110.488 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.06 -36.91 83.07 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.687 -0.688 . . . . 73.019999999999996 109.778 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.12 87.43 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.428 -0.805 . . . . 62.109999999999999 109.993 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.36 67.88 Favored Glycine 0 C--N 1.344 0.993 0 O-C-N 124.008 0.817 . . . . 55.310000000000002 112.772 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.8 t -72.49 -39.1 67.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.865 0.866 . . . . 72.329999999999998 110.309 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.25 -17.59 34.32 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.786 0.835 . . . . 72.349999999999994 111.33 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -81.64 -64.47 1.18 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.916 1.286 . . . . 71.530000000000001 109.006 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -74.96 96.82 3.23 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.845 -1.539 . . . . 71.540000000000006 106.845 174.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -73.17 85.21 1.37 Allowed 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.921 0.763 . . . . 75.209999999999994 111.885 -168.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -70.23 -25.13 63.24 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 114.778 -1.101 . . . . 72.049999999999997 108.883 168.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 55.6 99.12 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.861 2.064 . . . . 74.129999999999995 113.286 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -85.75 -61.07 1.84 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.637 0.775 . . . . 74.519999999999996 109.447 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 . . . . . 0 CA--C 1.551 1.008 0 C-N-CA 124.681 1.192 . . . . 71.439999999999998 108.743 175.695 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.666 -0.494 . . . . 62.340000000000003 109.666 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -155.0 158.78 39.69 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.031 -0.729 . . . . 70.340000000000003 109.031 169.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.1 130.85 62.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-N 115.806 -0.634 . . . . 71.120000000000005 109.913 -176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' HB2' HG22 ' A' ' 78' ' ' VAL . 86.5 mt -126.19 118.19 24.68 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.463 1.105 . . . . 63.340000000000003 108.711 173.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.2 mm -93.26 105.19 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.923 -1.14 . . . . 63.329999999999998 107.923 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.663 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -91.69 124.07 35.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.445 -1.317 . . . . 62.009999999999998 107.445 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.449 HD12 HD21 ' A' ' 55' ' ' LEU . 77.2 mt -126.69 119.11 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.863 -0.791 . . . . 73.510000000000005 108.863 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' HB2' HD12 ' A' ' 64' ' ' LEU . 5.6 t30 -104.68 124.04 48.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.983 -1.488 . . . . 75.340000000000003 106.983 170.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 9.0 t -126.13 142.5 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.674 0.609 . . . . 70.129999999999995 109.647 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -80.64 -29.56 36.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.261 0.624 . . . . 74.340000000000003 109.637 170.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.534 ' HB2' HD23 ' A' ' 14' ' ' LEU . 64.7 m-20 -99.26 124.53 44.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.69 0.796 . . . . 51.130000000000003 111.071 -174.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.76 -19.09 64.71 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.555 1.142 . . . . 60.299999999999997 113.107 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -58.56 -43.99 89.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.08 0.552 . . . . 74.439999999999998 110.554 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -65.23 -29.92 70.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.573 -0.285 . . . . 74.099999999999994 111.697 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 HD21 ' A' ' 59' ' ' ASN . 56.1 mt -60.48 -60.8 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 N-CA-C 109.542 -0.54 . . . . 74.129999999999995 109.542 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.76 -41.74 99.36 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.211 0.605 . . . . 65.049999999999997 111.831 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.4 mtpt -69.16 -55.11 11.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.402 0.681 . . . . 73.409999999999997 111.268 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -57.56 -37.08 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.599 0.76 . . . . 70.530000000000001 110.409 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.6 mttm -53.45 -43.25 67.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.893 0.477 . . . . 73.439999999999998 111.772 175.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -77.15 -46.45 23.37 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.684 0.794 . . . . 74.519999999999996 111.549 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 7.5 mm-40 -50.01 -48.76 52.39 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.54 0.736 . . . . 73.530000000000001 111.434 176.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.752 HG12 ' SD ' ' A' ' 121' ' ' MET . 4.2 m -88.86 -12.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.897 -0.592 . . . . 61.109999999999999 111.287 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.93 -38.62 91.74 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.087 -0.709 . . . . 71.129999999999995 109.087 167.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -67.57 -25.02 65.58 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.659 -1.155 . . . . 73.239999999999995 110.767 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 16.9 mm100 -103.12 3.59 36.06 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.816 0.846 . . . . 72.540000000000006 112.486 -175.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.25 75.58 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 115.476 0.95 . . . . 53.32 115.476 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -105.44 125.7 51.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 117.476 0.638 . . . . 71.109999999999999 110.168 172.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -73.32 99.73 2.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.855 0.862 . . . . 64.409999999999997 109.6 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 19' ' ' LYS . 22.0 t -82.33 134.16 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.558 0.343 . . . . 73.219999999999999 111.131 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -127.62 117.37 21.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.771 -1.566 . . . . 75.219999999999999 106.771 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -99.98 131.96 45.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 109.585 -0.524 . . . . 65.230000000000004 109.585 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -129.12 117.3 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.227 1.011 . . . . 74.209999999999994 108.941 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.58 22.89 3.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.605 1.162 . . . . 63.140000000000001 108.293 169.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -140.36 144.34 36.22 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.408 1.083 . . . . 74.230000000000004 109.906 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 t -58.45 -47.01 85.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.772 0.829 . . . . 72.530000000000001 111.693 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 11.5 m-20 -68.27 -25.96 65.42 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 119.306 -0.378 . . . . 73.219999999999999 111.885 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.17 -40.37 74.75 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.118 0.417 . . . . 72.140000000000001 110.889 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -55.39 34.88 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.693 0.621 . . . . 70.239999999999995 110.322 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 39.6 mtpt -62.45 -43.09 99.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.34 -1.3 . . . . 72.200000000000003 110.905 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -62.06 -43.74 98.19 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.058 0.943 . . . . 63.130000000000003 110.542 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.8 mm-40 -69.37 -30.65 68.7 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.681 0.613 . . . . 64.099999999999994 111.703 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -70.24 -32.73 70.72 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.611 0.365 . . . . 73.25 111.359 176.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.9 mmtp -64.72 -42.27 95.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.008 -0.738 . . . . 74.310000000000002 109.008 173.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.65 -42.42 99.59 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 124.221 0.951 . . . . 74.209999999999994 111.283 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 92.9 mt -67.02 -31.99 72.91 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.906 0.482 . . . . 75.209999999999994 110.912 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.52 56.69 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.769 -0.65 . . . . 74.219999999999999 111.789 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -85.25 -36.79 20.69 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.83 0.852 . . . . 72.129999999999995 111.334 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.4 87.73 3.69 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.887 0.851 . . . . 51.240000000000002 108.788 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.15 2.18 28.66 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.16 -1.382 . . . . 72.319999999999993 112.016 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -71.48 161.08 31.6 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.313 1.045 . . . . 61.439999999999998 110.84 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -88.61 31.33 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.153 0.581 . . . . 74.439999999999998 111.739 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -53.59 128.6 29.79 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.659 1.184 . . . . 71.439999999999998 111.571 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -77.9 95.52 4.78 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.31 1.044 . . . . 71.239999999999995 109.037 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' HB ' HD23 ' A' ' 4' ' ' LEU . 59.4 mt -113.33 142.3 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.026 -0.731 . . . . 73.409999999999997 109.026 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 HG21 ' A' ' 22' ' ' VAL . 9.5 tt -124.33 125.89 45.09 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.05 -1.463 . . . . 74.239999999999995 107.05 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.663 ' HB ' HD22 ' A' ' 6' ' ' LEU . 12.0 mm -111.55 122.11 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.612 -0.884 . . . . 74.540000000000006 108.612 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.58 140.5 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 108.873 -0.788 . . . . 73.530000000000001 108.873 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -141.44 167.3 22.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.552 1.141 . . . . 74.319999999999993 107.957 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.573 HD21 HD11 ' A' ' 15' ' ' ILE . 14.3 m120 -118.0 -7.67 10.83 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.427 0.691 . . . . 75.030000000000001 110.409 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -116.95 134.97 54.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 73.420000000000002 110.502 -167.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -77.29 -25.86 51.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.582 1.153 . . . . 63.020000000000003 112.085 -175.132 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.72 -43.1 38.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.461 0.304 . . . . 70.120000000000005 110.295 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.11 -34.86 79.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.534 0.734 . . . . 64.439999999999998 110.259 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.6 tt -65.56 -41.46 92.93 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.827 -0.624 . . . . 51.140000000000001 110.668 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -58.62 -58.78 7.05 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.619 0.574 . . . . 75.109999999999999 110.012 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -52.25 -41.82 63.12 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.865 0.728 . . . . 73.329999999999998 111.213 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.3 tpp -54.62 -63.02 1.29 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.164 0.986 . . . . 74.209999999999994 111.184 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -26.14 64.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.417 0.687 . . . . 53.25 112.581 -171.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.11 -33.74 50.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.7 0.4 . . . . 73.329999999999998 110.258 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 42' ' ' MET . 76.6 mt -71.55 -37.3 71.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.349 0.66 . . . . 64.299999999999997 110.616 172.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 74' ' ' LEU . 80.6 mt -72.6 -26.0 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.232 0.613 . . . . 52.439999999999998 110.296 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -65.11 -33.68 76.6 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.156 0.582 . . . . 75.120000000000005 110.07 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.38 -39.66 71.06 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.581 -0.736 . . . . 73.200000000000003 110.755 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 71' ' ' ILE . 71.3 mt -69.47 -36.1 76.24 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.927 0.891 . . . . 72.109999999999999 111.528 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.57 42.98 31.32 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 116.011 -0.54 . . . . 61.539999999999999 113.455 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.4 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.9 m-30 -98.36 140.72 32.21 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.641 0.376 . . . . 75.439999999999998 111.251 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -72.43 107.9 5.23 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.529 -0.915 . . . . 61.200000000000003 108.529 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 4' ' ' LEU . 98.1 t -106.61 139.92 26.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 123.367 0.667 . . . . 72.340000000000003 111.203 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.514 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.4 m-85 -109.52 113.38 26.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.062 -1.458 . . . . 72.129999999999995 107.062 166.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 64' ' ' LEU . 57.8 tp -96.71 139.38 32.86 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.119 0.568 . . . . 65.310000000000002 111.786 -175.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 22.4 tp -124.87 126.76 46.07 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.418 1.087 . . . . 34.219999999999999 108.16 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -113.48 113.41 25.11 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 108.604 -0.888 . . . . 55.130000000000003 108.604 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 23.6 tm0? -112.37 102.89 10.99 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.81 -1.181 . . . . 74.019999999999996 107.81 174.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -151.52 136.38 17.25 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.237 -1.394 . . . . 70.219999999999999 107.237 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.35 -24.27 59.15 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.079 0.4 . . . . 65.319999999999993 112.079 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.44 84.33 5.34 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.04 -0.726 . . . . 73.120000000000005 109.04 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.682 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 36.2 mt-10 -68.59 -13.93 62.67 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.801 0.667 . . . . 74.140000000000001 112.801 -174.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.33 -52.53 32.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.689 0.796 . . . . 32.340000000000003 110.001 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.59 -34.38 65.07 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.228 -0.896 . . . . 64.329999999999998 110.236 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.682 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 14.9 tp -64.97 -35.82 82.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 62.030000000000001 110.584 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.47 -49.79 74.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.003 0.521 . . . . 73.25 110.6 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 30.2 mm-40 -69.34 -40.92 77.26 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.635 -0.711 . . . . 75.549999999999997 111.291 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 24.4 t80 -69.82 -34.4 73.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 116.324 -0.398 . . . . 75.219999999999999 110.242 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HA ' HG11 ' A' ' 104' ' ' VAL . 19.2 ttpt -58.74 -58.13 9.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.883 0.873 . . . . 64.129999999999995 110.665 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.503 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 2.3 ptm180 -67.41 -24.67 65.68 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.229 0.825 . . . . 71.230000000000004 113.229 -170.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.4 mptm? -72.86 -37.43 67.39 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.518 0.327 . . . . 71.310000000000002 111.105 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.9 mt -85.34 -23.74 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-O 121.584 0.707 . . . . 53.409999999999997 110.289 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 95' ' ' ARG . 32.0 tt0 -64.75 -33.69 76.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.712 1.205 . . . . 75.530000000000001 109.14 171.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.0 t -70.96 -26.38 63.14 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 114.933 -1.031 . . . . 75.019999999999996 110.802 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -79.5 -0.82 34.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.632 0.773 . . . . 73.319999999999993 111.621 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.84 82.39 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 122.961 0.315 . . . . 53.299999999999997 113.298 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 97' ' ' ILE . 55.8 m-85 -82.61 144.64 30.17 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 122.68 0.392 . . . . 72.540000000000006 110.728 176.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -74.2 92.45 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.07 -0.968 . . . . 72.040000000000006 109.073 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.5 t -103.77 119.68 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.414 -0.587 . . . . 74.340000000000003 109.414 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -116.97 134.91 54.14 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.663 0.785 . . . . 75.120000000000005 109.155 176.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HB2' HD21 ' A' ' 90' ' ' LEU . 17.9 ptmt -97.91 155.93 16.84 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.851 0.86 . . . . 74.219999999999999 110.03 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -169.15 158.92 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.611 0.764 . . . . 73.120000000000005 109.463 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -128.48 -33.82 2.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.797 0.839 . . . . 73.129999999999995 110.584 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.62 144.29 26.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.153 0.581 . . . . 72.109999999999999 110.395 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -73.0 -38.64 66.55 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.574 0.749 . . . . 73.420000000000002 111.245 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.72 -41.39 92.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.509 0.724 . . . . 71.129999999999995 109.923 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.506 ' O ' HG12 ' A' ' 116' ' ' ILE . 14.4 tp10 -75.03 -32.85 61.69 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 115.063 -0.971 . . . . 65.109999999999999 110.333 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.42 -42.7 99.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.001 0.52 . . . . 63.210000000000001 111.046 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.555 HD11 ' HE2' ' A' ' 17' ' ' LYS . 80.7 mt -62.27 -35.72 79.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.431 0.692 . . . . 75.340000000000003 110.586 176.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 53.0 mtpt -70.73 -27.07 63.69 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.081 -0.963 . . . . 74.209999999999994 111.227 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 112' ' ' GLU . 26.4 mm -78.9 -36.07 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.414 -0.587 . . . . 52.450000000000003 109.414 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 113' ' ' ALA . 96.1 t -63.09 -39.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.497 0.719 . . . . 75.519999999999996 110.062 176.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.6 ptt180 -62.07 -35.5 78.83 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.361 0.413 . . . . 73.209999999999994 109.904 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 67.3 mm-40 -63.68 -47.09 82.64 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.977 0.798 . . . . 64.540000000000006 109.919 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' ILE . 25.6 m-85 -59.16 -47.23 86.08 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.102 0.876 . . . . 75.140000000000001 111.415 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.752 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -66.78 -38.49 86.65 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.746 0.819 . . . . 72.430000000000007 112.002 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -68.32 -41.44 80.82 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.212 1.005 . . . . 75.239999999999995 111.516 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 46.5 mttp -75.22 -37.16 61.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.404 0.682 . . . . 72.019999999999996 110.534 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.75 -34.2 75.19 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.326 0.65 . . . . 21.109999999999999 110.063 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.56 89.04 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 114.84 -1.073 . . . . 54.329999999999998 112.368 172.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 m -74.51 -31.54 62.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.114 0.566 . . . . 75.420000000000002 110.537 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 41.0 mt -78.46 -0.41 29.22 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.373 0.669 . . . . 71.310000000000002 111.684 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.68 -19.18 49.61 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.698 0.799 . . . . 70.340000000000003 111.448 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -131.98 147.46 52.46 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.717 0.807 . . . . 75.219999999999999 110.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.7 m80 62.42 20.36 11.81 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.363 1.065 . . . . 74.430000000000007 112.247 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -88.9 28.49 1.16 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.267 1.027 . . . . 71.049999999999997 111.485 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -51.13 -44.51 61.37 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 73.450000000000003 110.583 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -149.64 104.37 3.34 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.55 -0.907 . . . . 61.43 108.55 169.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 124.112 0.965 . . . . 73.519999999999996 108.503 177.695 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.992 0.425 . . . . 64.439999999999998 110.423 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 53' ' ' LYS . 26.7 ttpt -152.43 96.14 2.12 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.996 0.919 . . . . 72.409999999999997 108.536 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 77' ' ' LYS . 20.7 mt -94.31 129.01 45.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.276 -0.875 . . . . 72.219999999999999 108.937 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.3 mt -103.71 110.05 21.98 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.741 -0.837 . . . . 61.039999999999999 108.741 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 mm -84.9 106.84 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 107.899 -1.148 . . . . 64.430000000000007 107.899 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.659 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.76 138.23 31.72 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.261 -1.385 . . . . 72.230000000000004 107.261 -177.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.52 HD12 HD21 ' A' ' 55' ' ' LEU . 79.2 mt -138.7 131.8 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.031 0.532 . . . . 74.209999999999994 109.68 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -120.62 114.64 22.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 107.375 -1.343 . . . . 60.43 107.375 168.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -124.96 144.41 50.38 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 64.120000000000005 108.892 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.18 -11.26 47.33 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.012 0.434 . . . . 73.129999999999995 109.988 173.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.54 129.34 36.02 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.23 1.012 . . . . 72.030000000000001 110.284 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.11 -38.39 78.89 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.645 0.591 . . . . 64.420000000000002 111.212 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.02 -44.32 94.69 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 74.349999999999994 110.638 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.0 -24.95 67.36 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.872 0.693 . . . . 72.340000000000003 112.872 -175.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.8 mt -57.95 -58.76 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 O-C-N 123.562 0.539 . . . . 74.340000000000003 110.062 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.15 -32.67 63.24 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.043 0.386 . . . . 71.340000000000003 112.043 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 114' ' ' LEU . 30.1 mtpp -60.91 -51.96 67.05 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.223 0.609 . . . . 62.109999999999999 109.938 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 7' ' ' ILE . 90.1 mt -64.71 -38.14 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.075 0.859 . . . . 64.310000000000002 110.498 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' HG11 ' A' ' 29' ' ' VAL . 95.8 mttt -55.85 -43.04 76.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.286 0.366 . . . . 73.439999999999998 111.518 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -72.1 -43.55 64.62 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.553 0.533 . . . . 75.439999999999998 110.53 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -50.12 -48.32 53.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.194 -0.912 . . . . 71.099999999999994 112.464 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.41 -15.04 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.081 0.552 . . . . 62.420000000000002 111.596 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.58 -42.61 99.66 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.656 0.741 . . . . 72.430000000000007 109.482 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.54 -25.12 66.51 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.973 -1.467 . . . . 75.239999999999995 111.118 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -91.96 -2.88 56.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.017 0.927 . . . . 74.109999999999999 112.048 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 34.68 72.85 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 115.06 0.784 . . . . 74.209999999999994 115.06 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -102.39 125.22 49.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.793 -0.817 . . . . 70.5 108.793 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -82.35 118.69 23.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.34 -0.615 . . . . 62.229999999999997 109.34 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 19' ' ' LYS . 26.3 t -88.54 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.909 0.483 . . . . 74.040000000000006 110.349 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -125.86 137.63 53.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 106.615 -1.624 . . . . 74.140000000000001 106.615 167.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -121.95 126.41 48.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 107.823 -1.177 . . . . 73.150000000000006 107.823 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 38' ' ' LEU . 96.7 t -105.19 115.32 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 123.809 0.844 . . . . 74.030000000000001 109.564 -170.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.04 -17.7 18.99 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.32 0.648 . . . . 73.439999999999998 111.606 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.07 154.25 41.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.413 0.285 . . . . 61.240000000000002 111.044 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 14.7 p -55.56 -47.15 76.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.299 1.039 . . . . 71.519999999999996 112.695 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 4.7 m-20 -62.76 -33.61 75.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.547 0.339 . . . . 75.219999999999999 111.134 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.49 -51.34 69.05 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.72 0.638 . . . . 72.120000000000005 110.013 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 9.0 tt -49.61 -47.52 49.55 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.547 1.139 . . . . 53.420000000000002 110.947 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' SER . 24.6 mtpp -73.09 -25.69 60.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.763 -1.108 . . . . 74.319999999999993 111.362 -174.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 45.5 mmtm -70.15 -41.9 73.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.911 0.485 . . . . 70.010000000000005 110.308 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 8.9 mm-40 -59.24 -42.32 90.8 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.938 0.774 . . . . 72.230000000000004 110.494 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' HD13 ' A' ' 70' ' ' LEU . 23.0 mmt -60.2 -36.14 76.98 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.729 0.811 . . . . 71.120000000000005 112.353 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -68.81 -38.41 79.9 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.232 -0.895 . . . . 74.519999999999996 110.25 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.42 -34.14 74.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.852 0.461 . . . . 74.310000000000002 110.639 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.6 mt -65.43 -28.45 69.25 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.609 0.764 . . . . 73.540000000000006 111.335 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.32 -49.8 9.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.336 0.655 . . . . 74.140000000000001 110.991 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.85 -44.28 70.19 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.356 1.062 . . . . 74.310000000000002 111.424 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -84.58 125.46 32.45 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.084 -1.45 . . . . 74.239999999999995 107.084 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.9 156.44 37.18 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.243 0.964 . . . . 70.510000000000005 110.844 -172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -78.8 72.32 5.31 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 122.088 0.947 . . . . 65.310000000000002 111.299 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -136.73 19.15 3.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.593 1.157 . . . . 65.010000000000005 108.877 173.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -155.24 125.53 6.75 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.046 0.938 . . . . 70.219999999999999 108.819 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -90.94 130.15 36.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.061 0.544 . . . . 73.420000000000002 109.985 -174.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mm -111.47 115.83 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.133 0.573 . . . . 51.450000000000003 109.598 -173.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD21 HD12 ' A' ' 7' ' ' ILE . 10.4 tt -83.94 134.86 34.65 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.085 -1.08 . . . . 63.439999999999998 108.085 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.659 ' HB ' HD22 ' A' ' 6' ' ' LEU . 16.0 mm -116.53 135.58 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.032 0.533 . . . . 62.439999999999998 109.724 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -115.63 136.52 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 107.343 -1.355 . . . . 72.129999999999995 107.343 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -142.19 128.9 20.42 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 107.875 -1.158 . . . . 42.530000000000001 107.875 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.44 -9.15 59.55 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.736 0.414 . . . . 75.219999999999999 110.734 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.2 137.16 52.33 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.434 0.694 . . . . 64.109999999999999 111.098 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.75 -29.59 36.24 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.874 -1.057 . . . . 34.100000000000001 113.167 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -69.41 -41.37 76.47 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.515 -0.55 . . . . 74.109999999999999 109.515 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.06 -45.36 87.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.375 -0.83 . . . . 41.350000000000001 109.989 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.3 tt -53.25 -48.35 68.3 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.942 0.776 . . . . 71.040000000000006 111.417 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.78 -54.41 46.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.867 0.467 . . . . 71.340000000000003 111.792 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -49.31 68.32 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.038 1.335 . . . . 63.450000000000003 109.823 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 56' ' ' ILE . 4.3 ttp -53.61 -52.91 58.33 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 113.012 -1.904 . . . . 73.150000000000006 112.879 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.527 HD21 ' HG ' ' A' ' 6' ' ' LEU . 80.2 mt -65.35 -33.9 77.05 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.607 0.595 . . . . 74.349999999999994 112.607 -175.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.89 -30.36 65.31 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.551 0.532 . . . . 53.219999999999999 110.554 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 42' ' ' MET . 95.2 mt -72.14 -37.84 69.36 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 122.721 0.408 . . . . 74.219999999999999 111.179 171.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.466 HD12 HD23 ' A' ' 68' ' ' LEU . 68.4 mt -68.51 -29.17 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 122.99 0.516 . . . . 60.520000000000003 110.357 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 t -61.15 -34.51 75.14 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.411 0.684 . . . . 63.409999999999997 110.534 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -72.02 -30.75 65.52 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.06 0.457 . . . . 74.310000000000002 110.259 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.1 -22.91 48.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.656 0.782 . . . . 73.219999999999999 110.859 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.03 31.48 75.21 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.007 -0.542 . . . . 53.310000000000002 113.987 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -88.86 150.64 22.79 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.009 0.523 . . . . 75.129999999999995 111.797 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' HE2' HD13 ' A' ' 127' ' ' LEU . 31.4 mmmt -66.85 117.25 8.69 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.66 -1.155 . . . . 65.040000000000006 109.191 173.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 68' ' ' LEU . 54.5 t -108.84 122.52 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.881 -0.414 . . . . 72.030000000000001 109.881 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -110.67 111.3 22.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.144 -1.798 . . . . 75.310000000000002 106.144 167.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 tp -106.29 133.79 50.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.577 0.751 . . . . 74.349999999999994 110.613 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD13 HG21 ' A' ' 116' ' ' ILE . 39.4 tp -115.68 118.5 33.24 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 63.210000000000001 109.455 173.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 90' ' ' LEU . 85.1 mt -103.27 122.89 45.72 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.831 0.853 . . . . 72.450000000000003 109.561 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -113.76 109.41 18.52 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.497 -0.927 . . . . 71.109999999999999 108.497 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -154.58 148.34 25.46 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.345 0.403 . . . . 62.020000000000003 110.066 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.5 -40.39 26.19 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.189 0.596 . . . . 70.510000000000005 112.287 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -86.37 95.62 9.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.277 -0.638 . . . . 52.420000000000002 109.277 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.3 mt-10 -71.6 -18.27 62.23 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.821 0.674 . . . . 72.239999999999995 112.821 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 3.9 m-20 -64.43 -46.93 81.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.288 -0.634 . . . . 71.120000000000005 109.288 172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.03 -36.96 58.88 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.368 -0.833 . . . . 71.120000000000005 110.357 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 30.1 tp -66.92 -51.62 53.05 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 123.889 0.876 . . . . 71.129999999999995 110.826 -174.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 25.5 tp10 -59.43 -51.63 69.07 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.226 0.954 . . . . 63.229999999999997 110.041 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 1.4 tm-20 -52.72 -52.63 55.47 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.678 1.236 . . . . 74.129999999999995 111.472 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.83 -40.82 98.61 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.644 1.178 . . . . 74.209999999999994 111.146 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.04 -30.97 71.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.102 0.961 . . . . 51.520000000000003 111.054 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 9.0 mmm180 -63.64 -36.92 85.4 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.677 0.391 . . . . 73.219999999999999 111.295 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.9 -46.49 90.41 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.184 -0.916 . . . . 72.349999999999994 110.732 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.43 HG21 HD23 ' A' ' 80' ' ' LEU . 18.7 mt -74.54 -29.53 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 114.687 -1.142 . . . . 71.510000000000005 110.902 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.93 -34.46 73.49 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.526 -1.216 . . . . 72.310000000000002 109.805 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -73.88 -20.76 60.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.627 0.771 . . . . 74.239999999999995 110.991 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -71.88 -12.65 61.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.705 0.402 . . . . 74.219999999999999 110.584 172.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.96 52.69 4.23 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.769 -0.532 . . . . 54.240000000000002 111.769 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -127.64 145.07 51.0 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.159 0.584 . . . . 74.420000000000002 109.824 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.67 94.76 3.28 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.594 -0.891 . . . . 73.439999999999998 108.594 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.78 109.3 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.411 -0.588 . . . . 52.210000000000001 109.411 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 0.7 OUTLIER -101.83 150.56 23.04 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.237 -0.653 . . . . 74.450000000000003 109.237 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -98.4 155.42 17.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.703 0.801 . . . . 63.32 109.123 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.95 152.32 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.267 0.627 . . . . 74.420000000000002 110.289 176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -119.01 -40.57 2.83 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.352 0.661 . . . . 54.439999999999998 111.581 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -94.91 155.29 16.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.814 0.446 . . . . 73.129999999999995 111.523 -172.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.61 -45.33 68.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.93 0.892 . . . . 73.150000000000006 112.182 -175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.68 -37.16 70.78 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.207 0.527 . . . . 64.030000000000001 109.745 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.29 -36.33 83.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.517 1.127 . . . . 75.409999999999997 111.04 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.52 -44.64 95.86 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.38 0.425 . . . . 23.219999999999999 110.657 175.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.418 HD11 ' HE3' ' A' ' 17' ' ' LYS . 72.2 mt -59.83 -33.21 71.46 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.905 0.753 . . . . 55.020000000000003 110.652 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.2 mmmp? -71.04 -53.02 16.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.367 -0.833 . . . . 64.209999999999994 111.445 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.416 HG21 HD13 ' A' ' 81' ' ' LEU . 38.1 mm -63.3 -32.81 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 117.881 0.309 . . . . 71.439999999999998 111.126 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.2 t -64.2 -46.25 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.227 0.611 . . . . 70.099999999999994 110.832 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.6 ptm180 -69.89 -29.93 67.24 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.916 0.135 . . . . 71.140000000000001 110.67 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 45.7 mm-40 -69.57 -44.34 71.05 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.463 -0.569 . . . . 73.209999999999994 109.463 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 7.9 m-30 -55.15 -44.8 75.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.387 1.075 . . . . 70.329999999999998 112.15 175.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 118' ' ' ARG . 69.0 mtm -71.29 -27.28 63.31 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.782 0.676 . . . . 51.140000000000001 112.035 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -76.34 -38.07 56.44 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.696 0.399 . . . . 74.420000000000002 110.418 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 68.1 mttm -60.68 -50.63 72.71 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.825 -0.806 . . . . 60.399999999999999 108.825 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.75 85.1 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.865 -1.516 . . . . 71.420000000000002 110.984 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.11 -25.24 66.07 Favored Glycine 0 C--N 1.346 1.085 0 O-C-N 124.361 1.038 . . . . 71.329999999999998 113.102 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.6 m -77.93 -37.96 46.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 122.776 0.43 . . . . 73.519999999999996 110.493 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.437 HD13 ' HE2' ' A' ' 77' ' ' LYS . 81.7 mt -76.7 -46.35 25.85 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.774 0.83 . . . . 62.32 111.53 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -46.92 -57.53 4.87 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 124.978 1.311 . . . . 54.299999999999997 111.944 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -74.28 91.89 2.21 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.498 -1.228 . . . . 60.439999999999998 108.825 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -86.62 89.13 7.82 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.918 0.887 . . . . 72.409999999999997 109.719 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.9 m170 62.35 -87.6 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.154 1.382 . . . . 73.420000000000002 111.372 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -107.01 -21.16 13.09 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.16 0.584 . . . . 75.340000000000003 110.912 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.85 114.37 12.06 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.984 -0.747 . . . . 74.010000000000005 108.984 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.8 m80 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 118.527 -0.749 . . . . 64.439999999999998 110.144 -175.736 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.233 -0.654 . . . . 74.200000000000003 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 51' ' ' PHE . 55.2 mttp -128.47 147.8 50.69 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.613 0.365 . . . . 74.400000000000006 110.199 174.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 77' ' ' LYS . 39.1 mt -114.65 109.76 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 107.624 -1.25 . . . . 72.25 107.624 167.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.8 122.77 46.43 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.474 -0.936 . . . . 61.520000000000003 108.474 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 33.6 mm -89.71 112.21 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 108.034 -1.098 . . . . 64.310000000000002 108.034 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -93.83 134.85 35.75 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 107.344 -1.354 . . . . 73.019999999999996 107.344 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.429 HD12 HD21 ' A' ' 55' ' ' LEU . 82.2 mt -139.55 128.0 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.33 0.652 . . . . 62.210000000000001 109.342 176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 64' ' ' LEU . 24.3 t-20 -119.9 112.7 19.53 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.353 -0.98 . . . . 70.340000000000003 108.353 169.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -127.92 140.77 51.81 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.419 1.087 . . . . 71.450000000000003 108.301 167.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.08 -4.88 59.18 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.225 0.61 . . . . 64.450000000000003 110.283 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.49 109.76 21.61 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.998 0.919 . . . . 72.400000000000006 108.616 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.29 -18.63 64.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.971 0.908 . . . . 73.319999999999993 111.914 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.02 -56.16 24.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.255 0.972 . . . . 75.109999999999999 109.003 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.1 mm? -65.08 -36.27 83.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.077 -0.51 . . . . 72.310000000000002 111.433 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' HE2' ' A' ' 19' ' ' LYS . 60.5 mt -53.75 -56.53 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 O-C-N 123.655 0.597 . . . . 74.230000000000004 110.466 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.46 -37.28 74.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.088 0.403 . . . . 71.219999999999999 112.088 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE2' HD11 ' A' ' 114' ' ' LEU . 62.9 mtpt -66.76 -44.43 81.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.109 0.564 . . . . 64.219999999999999 111.163 -177.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.418 HD13 HD13 ' A' ' 7' ' ' ILE . 87.2 mt -62.87 -42.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 123.885 0.741 . . . . 71.310000000000002 109.683 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HE2' HG22 ' A' ' 15' ' ' ILE . 55.4 mtmt -60.95 -31.44 70.99 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 119.113 -0.47 . . . . 73.219999999999999 111.741 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -72.3 -52.16 17.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.426 0.29 . . . . 75.540000000000006 110.58 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 mm-40 -43.82 -53.98 5.57 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 124.137 0.975 . . . . 70.030000000000001 112.054 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.557 HG12 ' SD ' ' A' ' 121' ' ' MET . 6.1 m -83.6 -21.28 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.631 -1.168 . . . . 73.120000000000005 111.885 -169.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.48 -46.74 86.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.908 0.883 . . . . 72.010000000000005 110.004 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -65.02 -29.5 70.41 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.265 -0.88 . . . . 70.120000000000005 110.654 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.6 mm-40 -83.35 -0.02 47.94 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.318 0.647 . . . . 74.219999999999999 111.809 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.6 29.32 57.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.852 0.701 . . . . 72.219999999999999 114.852 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -102.42 122.76 44.93 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 117.373 0.587 . . . . 75.230000000000004 109.703 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -84.56 120.1 25.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.342 0.657 . . . . 75.129999999999995 109.512 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 23.2 t -96.03 143.49 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.329 0.652 . . . . 70.530000000000001 111.273 -175.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -118.72 118.08 30.66 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.257 -1.016 . . . . 64.120000000000005 108.257 171.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.11 116.92 23.13 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 108.094 -1.076 . . . . 75.209999999999994 108.094 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.08 115.77 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 108.263 -1.014 . . . . 74.230000000000004 108.263 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -137.97 17.38 2.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.681 1.192 . . . . 55.32 108.399 173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -143.74 138.19 28.64 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.576 1.151 . . . . 72.230000000000004 110.296 -176.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.4 t -63.8 -42.75 97.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.161 0.984 . . . . 62.420000000000002 113.154 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.06 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 123.038 0.211 . . . . 35.340000000000003 110.626 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 22.4 mm-40 -64.93 -46.25 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.838 0.455 . . . . 72.200000000000003 110.366 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 66' ' ' GLU . 6.9 tt -55.67 -51.01 68.73 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.039 0.936 . . . . 70.0 111.264 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -69.52 -40.87 76.68 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.262 -0.881 . . . . 74.120000000000005 111.474 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -72.46 -24.09 61.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.007 0.523 . . . . 60.329999999999998 111.657 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 48.7 mm-40 -68.29 -44.11 76.21 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 110.026 -0.361 . . . . 72.530000000000001 110.026 169.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.533 ' HG3' HD13 ' A' ' 70' ' ' LEU . 22.6 mmt -64.57 -25.68 68.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.333 0.653 . . . . 62.299999999999997 112.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.08 -57.71 10.57 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.562 0.539 . . . . 73.549999999999997 109.892 171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -65.61 -33.97 77.14 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.584 0.754 . . . . 75.299999999999997 112.242 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.682 0.793 . . . . 63.210000000000001 110.184 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.88 77.07 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.141 0.423 . . . . 70.030000000000001 112.141 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.39 -8.58 51.89 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.533 0.733 . . . . 72.239999999999995 112.408 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 65.37 10.47 6.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.608 1.163 . . . . 74.310000000000002 111.907 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.79 -23.02 39.58 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.508 1.123 . . . . 62.310000000000002 109.637 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -115.58 79.55 1.31 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 107.476 -1.305 . . . . 73.420000000000002 107.476 167.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.549 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 87.0 t80 -76.26 -18.51 58.97 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.114 0.565 . . . . 70.129999999999995 110.856 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -53.47 150.96 6.11 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.534 1.133 . . . . 61.43 112.307 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' NZ ' ' HG3' ' A' ' 128' ' ' GLU . 13.3 mmmm -73.95 101.09 3.71 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.393 0.677 . . . . 72.310000000000002 109.348 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -100.55 122.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 115.894 -0.594 . . . . 73.340000000000003 109.919 -170.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 5' ' ' ILE . 7.1 tt -87.83 127.71 35.34 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.245 -1.391 . . . . 65.430000000000007 107.245 169.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.2 mm -107.02 112.27 39.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.9 -0.778 . . . . 72.230000000000004 108.9 176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.4 mt -95.19 114.53 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.037 -1.468 . . . . 61.210000000000001 107.037 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -112.1 118.53 35.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.852 -1.536 . . . . 33.329999999999998 106.852 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.12 -32.16 72.25 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.681 0.613 . . . . 75.230000000000004 110.385 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -100.33 134.86 42.64 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 74.129999999999995 109.817 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -78.4 -22.97 47.02 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.543 0.737 . . . . 64.329999999999998 112.937 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 6.7 tp60 -72.44 -42.02 65.5 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.983 -0.747 . . . . 75.140000000000001 108.983 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.47 -31.54 72.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.28 0.632 . . . . 75.310000000000002 110.689 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 80' ' ' LEU . 6.9 tt -61.12 -47.33 86.77 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.855 0.462 . . . . 64.310000000000002 110.182 173.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.91 -56.52 20.96 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.821 0.701 . . . . 60.140000000000001 110.982 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 38' ' ' LEU . 8.6 mm-40 -57.59 -39.03 75.89 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 123.966 0.791 . . . . 70.310000000000002 110.619 -176.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.463 ' HG2' HD21 ' A' ' 6' ' ' LEU . 37.2 tpp -56.22 -56.63 18.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.395 1.059 . . . . 73.0 110.243 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD23 HD12 ' A' ' 71' ' ' ILE . 95.5 mt -72.58 -27.63 62.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.641 0.776 . . . . 45.43 112.935 -172.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.55 -36.14 60.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.919 0.488 . . . . 75.439999999999998 110.071 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD13 ' HG3' ' A' ' 42' ' ' MET . 79.6 mt -67.38 -38.69 85.13 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.430000000000007 110.65 170.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 76' ' ' TYR . 84.9 mt -67.2 -30.33 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.601 0.761 . . . . 74.420000000000002 110.162 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -68.22 -35.48 78.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.951 0.501 . . . . 71.329999999999998 110.311 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.64 -38.47 77.17 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.84 0.856 . . . . 75.209999999999994 110.672 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.93 -18.74 49.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.982 0.913 . . . . 70.430000000000007 111.502 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.84 29.87 68.82 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 115.469 0.948 . . . . 74.439999999999998 115.469 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.553 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.0 m-85 -83.62 146.15 28.44 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.102 0.951 . . . . 64.030000000000001 111.135 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HB3' HG12 ' A' ' 3' ' ' ILE . 15.7 tppt? -73.87 124.94 27.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.487 0.715 . . . . 71.310000000000002 110.079 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.35 139.35 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.383 0.611 . . . . 72.519999999999996 111.335 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -112.25 113.91 26.4 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 106.638 -1.616 . . . . 74.230000000000004 106.638 166.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD11 HD11 ' A' ' 64' ' ' LEU . 31.6 tp -102.17 140.94 35.78 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.614 0.765 . . . . 53.229999999999997 110.737 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.9 tp -126.14 120.72 30.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.068 0.947 . . . . 75.209999999999994 109.55 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.56 118.5 35.28 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.437 1.095 . . . . 73.140000000000001 109.452 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -102.16 117.34 34.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.949 0.34 . . . . 74.25 110.415 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 13.6 m-20 -147.6 146.38 29.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.535 1.134 . . . . 54.420000000000002 108.776 173.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -84.86 -17.04 39.22 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.922 -0.581 . . . . 73.530000000000001 109.624 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -88.96 85.99 6.84 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.733 0.813 . . . . 62.130000000000003 108.828 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.37 -26.65 68.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.484 0.713 . . . . 72.219999999999999 112.915 -173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.79 -55.01 26.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.783 0.833 . . . . 73.25 110.271 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.06 -41.33 70.86 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.689 -0.687 . . . . 71.239999999999995 109.95 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 84' ' ' ASP . 27.0 tp -57.27 -41.07 79.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.725 1.21 . . . . 70.230000000000004 111.002 177.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.59 -49.35 75.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.623 0.577 . . . . 75.439999999999998 111.056 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -58.3 -54.84 42.46 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.108 0.88 . . . . 74.049999999999997 111.507 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -64.53 -33.9 76.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.865 0.466 . . . . 73.040000000000006 110.729 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.6 OUTLIER -63.49 -58.62 6.45 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.419 0.687 . . . . 63.420000000000002 111.165 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -65.98 -31.48 72.41 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.727 0.642 . . . . 73.450000000000003 112.394 -171.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.16 -40.61 96.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.158 0.583 . . . . 73.510000000000005 111.189 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.0 mt -82.48 -27.35 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.629 0.771 . . . . 55.530000000000001 110.847 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.97 -27.45 64.74 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.847 -0.615 . . . . 72.310000000000002 109.775 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -76.47 -16.09 59.75 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.658 0.783 . . . . 64.299999999999997 110.823 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -77.59 -6.32 53.33 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.984 0.513 . . . . 63.439999999999998 110.812 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.81 50.0 3.43 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.431 0.457 . . . . 62.119999999999997 112.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -131.35 144.55 51.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.43 0.692 . . . . 72.409999999999997 110.157 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.5 91.07 3.9 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.263 -1.014 . . . . 72.120000000000005 108.263 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG12 ' HG2' ' A' ' 94' ' ' LYS . 30.0 t -104.55 133.53 48.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 108.087 -1.079 . . . . 51.43 108.087 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 120' ' ' PHE . 4.5 tpt180 -121.69 146.45 47.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 110.166 -0.309 . . . . 75.519999999999996 110.166 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 54.3 mtpt -96.04 138.38 33.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 74.120000000000005 108.146 173.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.2 137.83 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 O-C-N 123.416 0.447 . . . . 53.119999999999997 110.671 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 p -104.55 -52.91 2.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.996 0.918 . . . . 73.129999999999995 109.517 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.51 139.86 42.45 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.162 0.585 . . . . 62.109999999999999 110.474 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.46 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.8 m-20 -71.55 -36.57 71.0 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.571 0.748 . . . . 74.409999999999997 110.098 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.22 -34.93 79.54 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.215 -0.902 . . . . 74.310000000000002 110.708 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.9 tt0 -73.95 -33.38 63.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.691 1.196 . . . . 72.150000000000006 109.894 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.07 -49.6 77.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.769 0.428 . . . . 45.130000000000003 110.612 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.419 HD11 ' HE2' ' A' ' 17' ' ' LYS . 79.4 mt -56.69 -44.82 81.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.923 0.889 . . . . 74.430000000000007 111.524 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 19.4 ptmt -75.43 -29.33 59.69 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.083 -0.508 . . . . 75.329999999999998 111.633 -172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.2 mm -72.47 -32.0 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 117.772 0.26 . . . . 71.420000000000002 110.404 176.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.6 t -62.56 -39.5 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 109.72 -0.474 . . . . 65.340000000000003 109.72 172.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.3 -41.63 97.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.4 0.68 . . . . 53.030000000000001 110.382 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 35.7 mm-40 -63.67 -44.72 92.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.657 0.783 . . . . 72.140000000000001 111.236 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HZ ' ' HB2' ' A' ' 105' ' ' ARG . 11.8 m-30 -60.6 -46.47 90.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.164 0.986 . . . . 71.420000000000002 112.578 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.557 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.3 mtm -68.03 -31.19 70.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.488 0.715 . . . . 71.450000000000003 111.655 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.42 -47.45 67.22 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.591 0.557 . . . . 73.530000000000001 110.862 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -65.23 -42.38 93.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.344 0.658 . . . . 62.25 110.171 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.82 88.77 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.922 0.889 . . . . 33.219999999999999 110.905 175.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.58 -25.99 74.82 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.823 -1.08 . . . . 54.409999999999997 112.915 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.4 m -83.97 -27.27 28.58 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.578 0.751 . . . . 65.319999999999993 111.092 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.3 -49.96 30.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.093 0.557 . . . . 62.200000000000003 109.572 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.447 ' HG3' ' NZ ' ' A' ' 53' ' ' LYS . 10.9 mm-40 -67.81 -37.8 82.44 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.233 -0.894 . . . . 71.420000000000002 111.395 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -125.49 103.6 7.97 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.522 0.729 . . . . 61.140000000000001 109.229 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -71.69 -19.62 62.04 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.26 0.624 . . . . 73.340000000000003 111.376 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -111.24 179.0 4.16 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.16 0.984 . . . . 62.509999999999998 109.496 168.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -142.79 81.2 1.72 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.019 -0.734 . . . . 65.030000000000001 109.019 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.75 127.49 31.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.838 1.255 . . . . 71.140000000000001 111.935 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 124.131 0.972 . . . . 62.409999999999997 109.012 176.638 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.669 -0.123 . . . . 63.149999999999999 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.628 ' HZ2' ' HA ' ' A' ' 45' ' ' LEU . 18.9 ptpt -165.51 156.26 13.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.179 0.992 . . . . 72.140000000000001 108.83 169.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.6 mt -105.23 122.61 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 109.045 -0.724 . . . . 71.219999999999999 109.045 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 78' ' ' VAL . 69.1 mt -105.59 111.25 23.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.185 0.594 . . . . 45.140000000000001 109.437 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' A' ' 120' ' ' PHE . 21.9 mm -89.02 99.41 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 107.046 -1.465 . . . . 74.319999999999993 107.046 172.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.2 111.52 23.19 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 106.591 -1.633 . . . . 72.519999999999996 106.591 -174.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.61 124.35 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.045 0.538 . . . . 43.32 109.714 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 58' ' ' SER . 6.4 t30 -113.33 114.83 27.2 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.9 -1.148 . . . . 61.530000000000001 107.9 174.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -123.4 146.94 47.59 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.36 0.664 . . . . 73.010000000000005 110.632 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.19 -36.9 22.47 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.022 -0.535 . . . . 72.510000000000005 110.213 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.582 ' HB2' HD23 ' A' ' 14' ' ' LEU . 77.3 m-20 -98.44 131.85 44.37 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.06 -0.973 . . . . 72.230000000000004 111.228 -167.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.35 -29.81 70.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.476 1.111 . . . . 71.019999999999996 111.9 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.51 -49.47 64.73 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.784 0.834 . . . . 71.430000000000007 111.134 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 mm? -67.24 -30.11 69.93 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 116.141 -0.481 . . . . 75.129999999999995 111.798 -172.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 37.0 mt -57.06 -60.18 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 CA-C-O 120.947 0.404 . . . . 73.239999999999995 110.004 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -69.67 -37.03 76.52 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.53 -0.759 . . . . 73.549999999999997 112.472 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.4 mtpt -74.29 -40.99 61.91 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.191 0.596 . . . . 75.140000000000001 112.202 -176.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG23 HG11 ' A' ' 117' ' ' VAL . 83.0 mt -61.54 -38.62 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 109.514 -0.55 . . . . 72.329999999999998 109.514 174.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG2' HG21 ' A' ' 29' ' ' VAL . 56.4 mtmt -59.32 -35.65 74.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.283 0.364 . . . . 63.109999999999999 111.652 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.96 -54.3 28.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.736 0.414 . . . . 63.329999999999998 110.43 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.7 mm-40 -46.68 -52.29 14.15 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.727 1.211 . . . . 74.019999999999996 112.715 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.646 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 6.1 m -87.21 -11.84 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.129 -0.941 . . . . 74.040000000000006 112.026 -170.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.0 -45.7 86.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.423 0.689 . . . . 55.140000000000001 110.311 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.45 -31.14 71.7 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.825 -1.08 . . . . 55.399999999999999 110.747 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -91.58 -1.86 57.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.889 0.875 . . . . 74.519999999999996 112.081 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.75 29.19 69.72 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.835 1.094 . . . . 70.430000000000007 115.835 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.646 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.4 m-85 -90.06 112.77 24.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 117.704 0.752 . . . . 74.409999999999997 109.231 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB2' HD13 ' A' ' 54' ' ' ILE . 54.7 mt-30 -70.93 104.32 2.92 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.827 0.851 . . . . 61.299999999999997 109.81 -175.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' HG2' ' A' ' 19' ' ' LYS . 48.7 t -79.35 134.44 27.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.934 0.397 . . . . 75.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -119.95 107.92 13.7 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.405 -1.702 . . . . 64.049999999999997 106.405 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.77 119.85 24.4 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.529 -0.545 . . . . 61.229999999999997 109.529 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.66 HG12 HD13 ' A' ' 63' ' ' LEU . 98.7 t -111.73 112.49 40.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 N-CA-C 108.16 -1.052 . . . . 71.349999999999994 108.16 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -105.55 -28.49 10.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.079 0.952 . . . . 75.299999999999997 110.562 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -139.5 162.22 35.6 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.561 0.744 . . . . 64.219999999999999 110.211 -168.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -48.81 -45.6 40.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.92 1.288 . . . . 60.210000000000001 112.736 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 1.5 m-20 -57.27 -49.29 76.52 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.142 0.577 . . . . 74.530000000000001 110.227 175.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 30.3 mm-40 -55.62 -43.01 75.74 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 124.256 0.973 . . . . 71.109999999999999 110.468 -176.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 42' ' ' MET . 6.5 tt -54.97 -56.97 13.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.903 0.881 . . . . 72.109999999999999 109.959 173.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 56.6 mtpt -58.86 -33.55 70.58 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.948 -1.024 . . . . 64.010000000000005 111.282 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 75.7 mmtt -68.42 -52.42 33.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.464 0.705 . . . . 74.150000000000006 110.629 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.2 mm-40 -72.14 -31.82 66.33 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.096 -0.502 . . . . 73.530000000000001 111.837 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.1 mmm -70.59 -24.34 62.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.847 0.459 . . . . 74.120000000000005 111.197 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.0 mmtp -64.9 -44.63 88.94 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.971 -0.381 . . . . 73.430000000000007 109.971 171.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -65.88 -30.21 70.77 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.662 0.601 . . . . 74.209999999999994 111.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.628 ' HA ' ' HZ2' ' A' ' 2' ' ' LYS . 66.9 mt -70.62 -47.0 62.3 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.994 -0.373 . . . . 65.150000000000006 109.994 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.1 -31.76 66.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.846 0.859 . . . . 44.340000000000003 113.066 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.32 -41.3 11.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.241 1.016 . . . . 64.439999999999998 112.255 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.37 93.05 4.02 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.96 -0.756 . . . . 73.200000000000003 108.96 -167.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -106.56 84.24 1.98 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.386 0.674 . . . . 62.210000000000001 109.52 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -95.57 -177.75 4.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.225 -1.028 . . . . 75.510000000000005 108.225 167.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -81.82 65.72 7.08 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 122.38 1.086 . . . . 75.129999999999995 109.513 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.27 118.93 35.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.046 -1.434 . . . . 73.329999999999998 109.897 -169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -82.36 103.47 11.95 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.406 -1.331 . . . . 75.219999999999999 107.406 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 45' ' ' LEU . 40.9 mm -101.09 115.48 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.835 -0.802 . . . . 61.140000000000001 108.835 -175.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tt -94.13 121.33 35.51 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 107.349 -1.352 . . . . 74.409999999999997 107.349 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.743 HG21 ' SD ' ' A' ' 67' ' ' MET . 17.9 mm -100.24 133.35 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 108.236 -1.024 . . . . 61.310000000000002 108.236 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' ILE . 62.8 mt -105.83 123.99 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.465 -0.939 . . . . 74.129999999999995 108.465 169.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.5 t -122.08 124.31 43.62 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 107.869 -1.159 . . . . 74.209999999999994 107.869 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.81 -5.99 54.89 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 120.996 0.427 . . . . 70.400000000000006 110.089 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' HD12 ' A' ' 63' ' ' LEU . 32.4 t70 -133.85 143.33 48.26 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.233 0.457 . . . . 64.030000000000001 112.233 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -69.59 -37.01 76.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.982 0.913 . . . . 73.340000000000003 112.48 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 7.4 tp60 -65.07 -41.22 95.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.382 -0.599 . . . . 75.409999999999997 109.382 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 32' ' ' VAL . 96.0 mt -56.97 -50.67 71.97 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.675 -0.693 . . . . 72.219999999999999 110.376 174.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 80' ' ' LEU . 9.8 tt -56.9 -44.09 81.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 116.013 -0.54 . . . . 64.310000000000002 111.462 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 9.0 mtpm? -58.07 -57.44 12.81 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.084 0.954 . . . . 53.32 111.8 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.3 mm-40 -60.57 -43.11 97.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.498 -0.774 . . . . 72.420000000000002 110.423 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.743 ' SD ' HG21 ' A' ' 56' ' ' ILE . 11.1 ttp -59.25 -47.74 84.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.626 -1.17 . . . . 60.119999999999997 111.52 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 71' ' ' ILE . 56.5 mt -66.1 -31.94 73.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.835 0.454 . . . . 75.310000000000002 111.635 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -41.54 96.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.324 0.65 . . . . 63.210000000000001 109.622 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 89.8 mt -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.706 -1.134 . . . . 63.210000000000001 111.093 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 68' ' ' LEU . 91.0 mt -64.75 -34.23 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.539 0.736 . . . . 63.039999999999999 110.403 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -61.21 -33.13 72.98 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.779 0.831 . . . . 65.120000000000005 110.301 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -75.84 -44.77 39.31 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.594 0.757 . . . . 72.310000000000002 110.872 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.1 mt -69.14 -33.36 73.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.443 0.697 . . . . 63.100000000000001 112.293 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 68.87 1.44 Allowed Glycine 0 C--N 1.347 1.159 0 O-C-N 123.371 0.419 . . . . 71.140000000000001 113.519 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -126.08 148.85 49.25 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.318 0.647 . . . . 71.219999999999999 111.119 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -80.36 113.18 18.35 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.966 -1.124 . . . . 53.509999999999998 107.966 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 4' ' ' LEU . 66.3 t -103.93 135.59 40.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 123.731 0.813 . . . . 74.319999999999993 110.727 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 89.9 m-85 -106.15 113.97 27.83 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.441 -1.689 . . . . 75.299999999999997 106.441 163.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD23 HG22 ' A' ' 104' ' ' VAL . 62.8 tp -100.54 127.16 46.99 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.763 0.425 . . . . 61.350000000000001 110.236 -176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 22.2 tp -107.83 115.41 30.08 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.409 1.084 . . . . 70.299999999999997 108.358 166.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.98 112.17 24.46 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 107.717 -1.216 . . . . 71.439999999999998 107.717 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.64 103.95 14.78 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.991 -1.115 . . . . 63.439999999999998 107.991 168.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.18 118.81 23.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.85 -1.537 . . . . 74.209999999999994 106.85 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -68.03 -22.71 64.95 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.192 0.932 . . . . 74.340000000000003 110.059 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -98.9 115.05 27.98 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.361 -1.348 . . . . 63.509999999999998 107.361 171.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 43.6 mt-10 -85.84 6.63 27.29 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.34 0.867 . . . . 72.329999999999998 113.34 -173.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -83.68 -33.67 25.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.238 -1.023 . . . . 72.120000000000005 108.238 166.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.67 -50.58 62.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.53 0.732 . . . . 74.0 109.887 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.603 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 39.7 tp -57.34 -54.42 46.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.442 1.089 . . . . 73.540000000000006 111.656 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.43 -54.21 43.57 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.071 0.548 . . . . 75.109999999999999 112.375 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -57.42 -40.74 78.98 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.933 0.771 . . . . 74.109999999999999 112.336 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -75.42 -37.13 60.61 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.756 0.422 . . . . 74.239999999999995 110.071 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -63.34 -53.6 50.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.662 1.185 . . . . 74.420000000000002 111.773 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -58.5 -32.6 68.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.305 0.642 . . . . 65.150000000000006 112.278 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.27 -51.76 58.68 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.438 0.637 . . . . 70.400000000000006 110.969 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.553 HG22 ' HB2' ' A' ' 102' ' ' TYR . 63.8 mt -77.77 -30.01 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 114.956 -1.02 . . . . 65.510000000000005 111.862 -170.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.45 -21.89 55.31 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.514 0.725 . . . . 64.420000000000002 110.162 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -76.63 -20.4 56.75 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.285 0.634 . . . . 41.420000000000002 110.879 170.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -86.69 8.65 21.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.646 0.778 . . . . 73.420000000000002 111.036 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.36 18.16 72.05 Favored Glycine 0 C--N 1.349 1.264 0 N-CA-C 114.052 0.381 . . . . 74.310000000000002 114.052 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.7 m-85 -94.59 131.74 40.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.078 0.551 . . . . 75.439999999999998 109.746 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -72.39 99.95 2.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.594 0.757 . . . . 70.129999999999995 109.524 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.587 HG22 HD23 ' A' ' 80' ' ' LEU . 19.3 t -99.02 125.49 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 109.899 -0.408 . . . . 74.120000000000005 109.899 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 148.49 28.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.979 -0.748 . . . . 75.129999999999995 108.979 174.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -96.38 147.57 23.68 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.787 0.835 . . . . 65.409999999999997 110.757 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -166.76 149.61 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.45 0.7 . . . . 63.100000000000001 110.59 163.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.3 p -120.08 -39.67 2.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.662 1.185 . . . . 74.5 109.482 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.56 148.41 35.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.67 0.788 . . . . 61.530000000000001 110.748 -171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.62 -46.63 21.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.892 0.877 . . . . 73.219999999999999 110.044 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.62 -41.5 96.15 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.413 -0.812 . . . . 72.109999999999999 109.962 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 116' ' ' ILE . 25.2 tt0 -68.63 -36.65 78.9 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 115.865 -0.607 . . . . 55.229999999999997 111.087 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.99 -44.79 71.12 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.851 0.46 . . . . 64.019999999999996 111.741 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' HE2' ' A' ' 17' ' ' LYS . 75.4 mt -60.16 -44.59 94.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 123.649 0.593 . . . . 53.420000000000002 111.401 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 21.0 pttp -77.26 -18.16 57.82 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.001 0.52 . . . . 74.319999999999993 111.478 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.4 mm -79.14 -32.44 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 122.64 0.376 . . . . 75.209999999999994 110.243 170.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.1 t -61.79 -39.81 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.877 0.471 . . . . 71.150000000000006 110.37 174.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 10.1 ptm180 -71.01 -22.15 62.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.083 -0.508 . . . . 74.109999999999999 111.21 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -64.58 -42.43 95.63 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.765 0.426 . . . . 75.019999999999996 110.006 171.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.585 ' HB3' HD12 ' A' ' 5' ' ' ILE . 27.2 m-85 -66.69 -42.57 86.25 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.71 -0.677 . . . . 75.129999999999995 111.086 175.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.9 mtm -65.29 -30.88 71.79 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.007 0.523 . . . . 62.420000000000002 111.741 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.52 -54.74 31.5 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.766 1.227 . . . . 75.319999999999993 111.0 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -74.58 -31.59 62.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.144 -0.934 . . . . 73.239999999999995 111.529 -172.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.27 64.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.799 0.839 . . . . 73.510000000000005 110.305 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.55 75.19 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 123.486 0.491 . . . . 74.129999999999995 112.146 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 m -80.5 -40.5 25.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.492 0.717 . . . . 74.329999999999998 110.143 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.66 -10.82 59.85 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.417 0.687 . . . . 72.439999999999998 111.103 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.46 -33.88 76.98 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.621 0.768 . . . . 75.030000000000001 110.055 169.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -69.45 -36.07 76.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.913 0.485 . . . . 71.329999999999998 110.312 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -76.02 95.93 3.7 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.157 0.583 . . . . 75.109999999999999 109.528 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -145.46 116.62 7.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.239 1.016 . . . . 75.219999999999999 108.389 173.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -74.32 140.17 44.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 72.540000000000006 111.387 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -69.12 141.14 54.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.763 0.825 . . . . 71.329999999999998 110.575 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 36.0 m80 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.664 0.786 . . . . 73.310000000000002 109.591 -173.257 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.049 0.452 . . . . 64.409999999999997 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -144.1 137.82 27.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.242 0.617 . . . . 73.239999999999995 110.27 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.683 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 44.2 mt -94.85 138.77 20.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.971 0.909 . . . . 64.420000000000002 108.869 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -110.3 116.35 31.32 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.688 0.795 . . . . 74.310000000000002 109.999 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 55' ' ' LEU . 29.8 mm -89.02 106.66 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 107.659 -1.237 . . . . 54.420000000000002 107.659 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.677 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -94.25 126.78 39.71 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.822 -1.177 . . . . 61.299999999999997 107.822 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 55' ' ' LEU . 70.6 mt -129.55 126.33 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 108.705 -0.85 . . . . 61.530000000000001 108.705 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 64' ' ' LEU . 5.4 t30 -118.45 119.54 34.89 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.161 -1.052 . . . . 63.43 108.161 173.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 14' ' ' LEU . 8.0 t -124.95 142.77 51.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.306 -0.628 . . . . 60.530000000000001 109.306 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -88.71 -9.22 52.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.956 -0.565 . . . . 65.420000000000002 110.527 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -110.64 113.9 26.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.228 1.011 . . . . 61.109999999999999 109.588 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.34 -15.89 58.76 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.495 1.118 . . . . 54.409999999999997 112.933 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -56.83 -42.1 79.01 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.483 0.49 . . . . 73.420000000000002 110.411 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 9' ' ' THR . 3.9 mm? -64.4 -31.73 73.05 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.144 -0.48 . . . . 62.219999999999999 112.125 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' HE3' ' A' ' 19' ' ' LYS . 36.2 mt -62.44 -57.44 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 109.574 -0.528 . . . . 52.030000000000001 109.574 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -64.97 -36.51 84.62 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.331 -0.849 . . . . 62.399999999999999 111.705 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -68.52 -50.21 53.84 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.221 0.609 . . . . 72.140000000000001 111.928 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.89 -32.18 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.499 0.72 . . . . 72.540000000000006 110.777 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.636 ' HG2' HG11 ' A' ' 29' ' ' VAL . 97.3 mttt -58.47 -36.36 73.6 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.801 0.44 . . . . 61.210000000000001 111.582 174.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -75.6 -47.07 28.19 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.627 -0.508 . . . . 51.520000000000003 109.627 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -51.45 -53.6 35.39 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.279 1.031 . . . . 73.109999999999999 112.957 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 55' ' ' LEU . 11.6 m -88.29 -2.13 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 115.865 -0.607 . . . . 74.430000000000007 111.91 -172.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.97 -41.29 97.6 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.046 -0.724 . . . . 72.040000000000006 109.046 166.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -68.98 -13.02 62.21 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.762 -1.108 . . . . 74.030000000000001 111.562 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.27 -4.72 17.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.549 0.74 . . . . 75.109999999999999 111.363 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.62 30.19 75.98 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.956 0.742 . . . . 74.5 114.956 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -98.14 121.15 39.72 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.359 -0.978 . . . . 72.430000000000007 108.359 173.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.68 113.9 12.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.564 0.54 . . . . 72.25 110.294 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 19' ' ' LYS . 2.8 t -85.56 128.53 39.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.456 -0.793 . . . . 74.040000000000006 110.48 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -128.77 149.16 50.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.684 1.194 . . . . 64.239999999999995 108.339 168.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.09 132.07 27.78 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.883 0.873 . . . . 72.510000000000005 109.155 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.66 120.24 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.465 0.706 . . . . 74.329999999999998 109.628 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -100.29 -24.16 14.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.406 1.082 . . . . 74.230000000000004 111.22 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.23 142.47 50.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.94 0.496 . . . . 75.209999999999994 110.617 -168.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 m -65.62 -38.64 89.99 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.745 0.818 . . . . 73.129999999999995 112.384 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.04 -37.3 84.41 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.582 0.753 . . . . 44.219999999999999 110.516 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 35.5 mm-40 -71.47 -42.36 68.22 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.122 -0.944 . . . . 72.030000000000001 110.236 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.27 -56.28 13.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.592 1.157 . . . . 73.129999999999995 111.499 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.94 -37.55 79.87 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.133 0.896 . . . . 74.340000000000003 111.202 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.621 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 34.4 mtmm -71.78 -32.7 67.93 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.971 -0.558 . . . . 64.420000000000002 111.856 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . 30.3 mt-10 -85.02 -19.26 32.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.157 0.583 . . . . 44.399999999999999 111.62 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.451 ' HE2' HD12 ' A' ' 45' ' ' LEU . 9.6 mmt -68.32 -31.79 71.45 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.735 0.414 . . . . 62.439999999999998 109.994 167.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HE3' ' HA ' ' A' ' 40' ' ' LYS . 9.4 mtmp? -71.21 -45.52 63.15 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.741 -0.663 . . . . 72.129999999999995 109.228 172.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 4.1 mmmp? -52.49 -41.21 63.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.296 1.038 . . . . 62.5 112.769 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD12 ' HE2' ' A' ' 42' ' ' MET . 88.4 mt -62.96 -36.96 85.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.819 0.448 . . . . 60.140000000000001 111.586 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -84.85 -22.56 29.37 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.859 0.864 . . . . 55.140000000000001 112.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -89.05 -41.59 12.23 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.936 -0.764 . . . . 70.400000000000006 108.936 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -93.58 84.17 4.62 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.065 -1.457 . . . . 71.340000000000003 107.065 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.34 9.3 18.33 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.406 -1.27 . . . . 72.430000000000007 112.417 -170.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.25 148.35 18.69 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.728 0.811 . . . . 74.329999999999998 110.968 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.8 -22.1 65.16 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.747 0.819 . . . . 74.209999999999994 113.061 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -50.42 127.66 18.04 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.394 1.078 . . . . 72.319999999999993 112.632 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 63.0 mmtt -83.34 134.94 34.88 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.592 0.757 . . . . 64.439999999999998 109.056 -178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -110.44 131.44 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.74 -0.467 . . . . 74.310000000000002 109.74 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD21 HD12 ' A' ' 7' ' ' ILE . 7.6 tt -102.06 122.63 44.46 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 107.482 -1.303 . . . . 70.200000000000003 107.482 174.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.677 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.3 mm -108.46 122.87 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.039 -0.726 . . . . 71.219999999999999 109.039 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.9 mt -105.31 144.78 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.654 0.781 . . . . 73.129999999999995 109.42 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.1 t -142.64 154.38 44.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.806 0.843 . . . . 63.229999999999997 108.868 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' ND2' HD11 ' A' ' 15' ' ' ILE . 21.6 m120 -94.94 -26.11 16.26 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.269 0.557 . . . . 74.310000000000002 110.116 172.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -108.37 125.54 51.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.978 -1.01 . . . . 71.010000000000005 109.615 -167.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 49.9 mtmt -72.95 -24.48 60.8 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.14 -0.937 . . . . 54.119999999999997 112.372 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.3 -39.05 65.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.837 0.455 . . . . 72.439999999999998 109.824 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.8 mt -58.11 -47.08 84.36 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 116.005 -0.543 . . . . 71.319999999999993 109.598 172.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 80' ' ' LEU . 7.3 tt -54.99 -43.47 73.58 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.751 -1.113 . . . . 61.229999999999997 111.753 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.75 -58.57 7.26 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.683 0.614 . . . . 75.109999999999999 111.193 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.21 -40.06 84.62 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.949 0.781 . . . . 52.420000000000002 111.12 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.5 tpp -53.3 -57.35 10.85 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.209 1.404 . . . . 71.430000000000007 110.456 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 71' ' ' ILE . 82.1 mt -67.37 -34.38 77.17 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.359 0.663 . . . . 74.430000000000007 112.652 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.72 -38.27 86.36 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.6 0.563 . . . . 61.119999999999997 110.819 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -73.94 -33.82 64.07 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.737 -0.665 . . . . 75.329999999999998 111.08 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.57 HD12 HD23 ' A' ' 68' ' ' LEU . 94.8 mt -65.25 -32.21 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.255 0.622 . . . . 64.349999999999994 110.512 174.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -63.68 -33.12 74.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.413 0.685 . . . . 72.010000000000005 110.479 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -77.77 -32.29 52.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.729 -0.669 . . . . 60.25 110.6 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 46' ' ' ALA . 81.1 mt -69.27 -33.79 73.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.375 0.67 . . . . 74.349999999999994 110.682 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.96 57.75 3.16 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.786 0.679 . . . . 72.510000000000005 112.435 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.96 154.72 38.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.028 0.531 . . . . 73.430000000000007 110.24 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -80.77 126.89 31.87 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.264 0.626 . . . . 70.310000000000002 109.99 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -107.46 132.71 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.888 0.475 . . . . 62.43 110.293 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.415 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 74.6 m-85 -114.79 114.16 25.2 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 107.079 -1.452 . . . . 75.510000000000005 107.079 165.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 64' ' ' LEU . 40.8 tp -109.15 132.76 53.81 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.409 0.684 . . . . 75.019999999999996 111.753 -168.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB2' ' CE2' ' A' ' 120' ' ' PHE . 29.0 tp -118.86 117.33 28.57 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.43 1.092 . . . . 52.0 108.688 174.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.87 112.15 24.24 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.841 0.456 . . . . 74.420000000000002 110.01 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 53.1 tt0 -101.53 105.1 16.03 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.08 -1.082 . . . . 74.540000000000006 108.08 173.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB3' HD22 ' A' ' 90' ' ' LEU . 22.0 t70 -153.87 129.96 10.34 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.321 -0.992 . . . . 71.409999999999997 108.321 -176.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -84.75 -14.0 49.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.277 0.631 . . . . 71.329999999999998 111.967 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.98 69.91 6.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.583 -0.895 . . . . 74.409999999999997 108.583 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.663 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 42.5 mt-10 -57.14 -19.19 18.65 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.977 1.103 . . . . 75.319999999999993 113.977 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.43 -54.12 41.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 70.409999999999997 109.905 172.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.22 -41.33 77.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.363 -0.835 . . . . 74.230000000000004 110.17 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 49.8 tp -65.44 -31.03 71.9 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 124.525 1.13 . . . . 74.219999999999999 111.846 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -66.64 -48.45 69.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.535 -0.543 . . . . 73.200000000000003 109.535 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.42 -47.99 81.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.768 -1.105 . . . . 71.319999999999993 110.323 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 71.1 t80 -58.72 -42.89 89.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.497 -1.229 . . . . 75.430000000000007 110.784 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.9 -51.97 64.88 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.913 -1.04 . . . . 51.109999999999999 110.691 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -60.26 -31.57 70.34 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.845 0.716 . . . . 75.420000000000002 112.007 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -57.65 -50.34 73.5 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.436 0.636 . . . . 74.340000000000003 110.156 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.7 mt -80.19 -27.56 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 114.339 -1.3 . . . . 73.510000000000005 111.598 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -73.3 -32.7 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.051 0.94 . . . . 72.340000000000003 109.539 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -74.32 -14.53 60.9 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.506 0.722 . . . . 35.109999999999999 110.967 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -86.24 9.74 16.77 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.624 0.769 . . . . 73.209999999999994 111.399 172.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.31 21.77 78.47 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 122.862 0.268 . . . . 71.510000000000005 113.69 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -96.11 144.98 25.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.884 0.474 . . . . 64.519999999999996 110.701 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -76.46 100.3 5.19 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.447 -0.945 . . . . 74.310000000000002 108.447 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.71 114.74 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.166 -0.309 . . . . 75.319999999999993 110.166 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 116' ' ' ILE . 2.2 tpm_? -101.34 143.89 30.83 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.456 0.702 . . . . 74.200000000000003 109.558 174.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -95.94 145.17 25.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 123.754 0.822 . . . . 71.120000000000005 108.893 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 13.1 p -153.88 147.68 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.089 -0.708 . . . . 74.349999999999994 109.089 173.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.7 p -119.8 -28.91 5.12 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.416 0.686 . . . . 75.200000000000003 110.411 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.06 144.35 25.34 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.673 0.789 . . . . 71.319999999999993 110.885 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.57 -44.67 33.67 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.122 1.369 . . . . 73.200000000000003 110.93 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.85 -37.14 78.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.269 -0.878 . . . . 64.420000000000002 109.808 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 8.5 tp10 -61.36 -47.94 83.54 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.833 -1.076 . . . . 74.219999999999999 110.358 175.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -52.64 -44.97 66.46 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 124.212 0.945 . . . . 60.399999999999999 112.172 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.13 -39.58 69.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.809 0.844 . . . . 71.230000000000004 111.854 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -77.15 -32.72 56.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.404 -0.816 . . . . 73.510000000000005 111.316 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.668 HG21 ' HG2' ' A' ' 105' ' ' ARG . 24.2 mm -69.56 -30.99 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-O 120.491 0.186 . . . . 75.450000000000003 110.511 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 113' ' ' ALA . 48.2 t -57.03 -38.82 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 123.014 0.526 . . . . 65.409999999999997 109.946 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -59.41 -38.76 81.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.124 -0.944 . . . . 73.420000000000002 111.358 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.87 -55.1 38.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.981 0.801 . . . . 75.299999999999997 111.071 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 27.4 m-85 -55.3 -47.79 75.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 124.009 0.818 . . . . 70.439999999999998 112.894 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.02 -38.88 92.7 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.263 0.977 . . . . 71.230000000000004 111.737 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -70.38 -41.47 73.03 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.581 0.752 . . . . 62.210000000000001 111.464 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.58 -41.83 68.53 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.693 0.797 . . . . 64.209999999999994 109.72 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.67 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.79 0.836 . . . . 71.0 111.077 172.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.08 -35.89 92.34 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.041 -0.981 . . . . 14.33 112.131 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.1 m -70.65 -35.76 73.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.82 0.448 . . . . 72.319999999999993 110.712 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.3 -34.03 76.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.743 0.817 . . . . 61.43 111.246 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.584 ' HG3' ' HE3' ' A' ' 53' ' ' LYS . 39.2 mm-40 -82.26 -6.94 59.58 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.108 0.563 . . . . 51.109999999999999 111.852 176.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 57.41 42.75 24.24 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.211 1.005 . . . . 64.329999999999998 110.214 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 127.85 32.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 114.626 -1.17 . . . . 75.510000000000005 110.141 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -83.92 54.67 2.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.169 0.985 . . . . 73.540000000000006 112.093 -168.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -133.14 80.6 1.89 Allowed 'General case' 0 C--O 1.241 0.614 0 N-CA-C 106.47 -1.678 . . . . 52.409999999999997 106.47 164.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -148.44 137.57 21.81 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.222 -1.354 . . . . 75.099999999999994 108.797 -172.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.6 m170 . . . . . 0 C--O 1.25 1.115 0 N-CA-C 109.12 -0.696 . . . . 72.140000000000001 109.12 178.152 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' HB2' ' HE1' ' A' ' 76' ' ' TYR . 1.1 mpt? . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.704 0.287 . . . . 73.319999999999993 110.246 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -163.93 159.0 20.39 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.189 0.518 . . . . 64.230000000000004 111.358 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 77' ' ' LYS . 79.8 mt -107.83 133.63 52.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-N 114.893 -1.049 . . . . 62.520000000000003 108.833 177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.75 117.58 34.56 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.542 0.737 . . . . 74.150000000000006 109.541 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.18 103.46 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.667 -1.235 . . . . 74.329999999999998 107.667 175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.42 126.69 36.59 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 106.781 -1.563 . . . . 62.049999999999997 106.781 -177.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.406 HD12 HD21 ' A' ' 55' ' ' LEU . 63.8 mt -131.32 125.31 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-O 121.218 0.532 . . . . 74.510000000000005 110.243 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.38 116.31 28.71 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.938 -1.504 . . . . 64.450000000000003 106.938 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 6.4 t -119.93 145.01 47.13 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.914 -0.773 . . . . 73.310000000000002 108.914 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.05 -28.19 54.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.633 0.773 . . . . 54.299999999999997 109.9 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -97.68 138.15 35.51 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.37 -0.832 . . . . 74.530000000000001 111.698 -170.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.59 -33.39 71.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.655 1.182 . . . . 74.329999999999998 110.956 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.46 -39.56 81.38 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.504 -0.771 . . . . 75.409999999999997 110.728 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.4 mm? -67.75 -23.45 65.25 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.38 0.511 . . . . 62.530000000000001 112.38 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 57' ' ' ILE . 68.6 mt -57.24 -58.39 6.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 O-C-N 123.415 0.447 . . . . 73.230000000000004 109.862 171.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -71.84 -33.73 68.71 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.236 0.615 . . . . 53.030000000000001 112.425 -174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -70.83 -44.38 66.61 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.038 0.535 . . . . 64.519999999999996 111.2 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 22' ' ' VAL . 66.1 mt -61.55 -39.82 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 123.823 0.702 . . . . 73.439999999999998 109.499 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG2' HG21 ' A' ' 29' ' ' VAL . 96.8 mttt -56.49 -38.63 72.02 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 123.332 0.395 . . . . 72.349999999999994 111.645 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.8 mmpt? -68.72 -49.76 56.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.293 0.37 . . . . 72.239999999999995 111.207 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.3 mm-40 -50.39 -47.37 56.4 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.587 0.755 . . . . 75.319999999999993 112.001 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.568 HG12 ' SD ' ' A' ' 121' ' ' MET . 5.2 m -83.73 -21.25 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.268 0.627 . . . . 65.040000000000006 112.588 -173.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 36.9 tt0 -62.77 -39.17 93.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.786 0.835 . . . . 70.200000000000003 110.172 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -83.88 -1.58 54.75 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.165 -0.925 . . . . 54.049999999999997 111.74 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 32.2 mm-40 -110.17 -3.4 16.36 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.354 0.662 . . . . 64.099999999999994 111.754 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.24 32.81 55.19 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 114.28 0.472 . . . . 71.25 114.28 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 22.1 m-85 -109.63 109.32 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.678 0.791 . . . . 74.120000000000005 109.366 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -83.12 114.28 21.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.269 1.028 . . . . 74.340000000000003 110.936 -169.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HG2' ' A' ' 19' ' ' LYS . 44.5 t -81.96 141.4 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.23 0.612 . . . . 51.130000000000003 111.172 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB2' HD13 ' A' ' 56' ' ' ILE . 18.7 mmt85 -125.3 124.57 41.9 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.326 -1.361 . . . . 73.340000000000003 107.326 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -86.18 120.69 27.82 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 108.986 -0.746 . . . . 71.400000000000006 108.986 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -122.78 114.74 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 107.883 -1.154 . . . . 71.239999999999995 107.883 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -139.08 15.74 2.63 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.704 0.802 . . . . 64.329999999999998 110.262 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 21.6 t70 -145.05 150.52 37.01 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.166 -0.679 . . . . 61.039999999999999 109.166 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -55.36 -39.86 70.58 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.496 1.118 . . . . 71.150000000000006 112.975 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 29.6 m-20 -65.38 -39.42 92.23 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.108 0.563 . . . . 75.430000000000007 111.315 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 9.4 mm-40 -60.24 -41.51 93.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.347 0.659 . . . . 73.140000000000001 110.115 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.56 -51.52 69.07 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.925 -0.58 . . . . 72.129999999999995 110.902 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -64.18 -24.57 67.72 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.587 0.755 . . . . 62.0 112.109 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 31.8 mmmt -80.18 -55.93 4.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.182 0.593 . . . . 64.319999999999993 110.749 176.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.48 -36.3 76.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.174 0.589 . . . . 74.25 112.465 -169.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.498 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.1 mmm -68.65 -28.37 66.83 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.249 0.343 . . . . 73.230000000000004 111.519 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -74.73 -31.34 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.995 -0.526 . . . . 63.329999999999998 110.88 173.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -40.26 95.34 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.25 0.547 . . . . 73.400000000000006 110.21 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 HD21 ' A' ' 50' ' ' ASN . 64.9 mt -65.86 -45.29 82.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.467 -1.242 . . . . 73.430000000000007 109.807 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.23 72.33 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.953 0.901 . . . . 61.210000000000001 112.722 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.11 -10.23 59.4 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.063 0.945 . . . . 75.129999999999995 112.23 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 78.08 -41.74 0.33 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.303 1.441 . . . . 73.219999999999999 111.951 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.71 71.52 0.08 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.809 1.243 . . . . 72.420000000000002 113.677 -168.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.421 HD21 HD23 ' A' ' 45' ' ' LEU . 16.2 p-10 171.28 72.63 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.934 2.094 . . . . 61.229999999999997 106.735 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -58.19 -28.93 65.25 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.288 1.035 . . . . 74.109999999999999 111.55 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -42.72 140.36 1.34 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.846 1.658 . . . . 63.100000000000001 112.516 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD2' ' HG3' ' A' ' 128' ' ' GLU . 10.6 mmpt? -71.81 109.47 5.71 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.013 -1.106 . . . . 63.43 108.013 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.85 131.46 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-O 121.184 0.516 . . . . 65.150000000000006 109.784 -167.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 7' ' ' ILE . 8.5 tt -110.1 129.2 55.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.242 -1.392 . . . . 74.219999999999999 107.242 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.593 HG21 ' SD ' ' A' ' 67' ' ' MET . 22.1 mm -110.78 113.73 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.138 -0.69 . . . . 60.229999999999997 109.138 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -91.48 113.72 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.474 -0.936 . . . . 74.230000000000004 108.474 169.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -126.35 117.75 23.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.099 -1.075 . . . . 61.210000000000001 108.099 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -89.93 2.6 54.88 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.48 0.712 . . . . 75.230000000000004 110.531 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.05 120.49 42.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.089 -1.078 . . . . 74.030000000000001 108.089 172.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.91 -21.19 47.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.945 0.498 . . . . 72.349999999999994 112.163 -172.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 7.0 tp60 -68.74 -45.95 70.13 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.361 -0.607 . . . . 72.400000000000006 109.361 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.29 -42.97 87.76 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.037 0.836 . . . . 60.140000000000001 110.191 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 80' ' ' LEU . 6.2 tt -53.83 -47.88 70.47 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 123.96 0.788 . . . . 75.310000000000002 110.827 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -61.4 -50.28 73.49 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.769 0.828 . . . . 74.140000000000001 111.689 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 22.3 mm-40 -57.13 -47.05 82.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.625 0.726 . . . . 71.409999999999997 110.132 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.593 ' SD ' HG21 ' A' ' 56' ' ' ILE . 6.8 ttp -63.01 -40.84 98.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.447 -1.706 . . . . 75.420000000000002 111.876 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 73.7 mt -66.84 -37.68 84.94 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.62 0.368 . . . . 73.140000000000001 111.439 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.15 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.383 0.427 . . . . 73.329999999999998 110.745 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.23 -47.16 74.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.437 0.695 . . . . 74.010000000000005 110.963 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 67' ' ' MET . 74.1 mt -63.58 -34.29 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 C-N-CA 123.69 0.796 . . . . 62.350000000000001 110.376 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -63.68 -41.86 98.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.671 0.788 . . . . 65.019999999999996 110.286 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.78 -25.64 56.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.296 0.638 . . . . 65.319999999999993 110.995 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.2 mt -79.28 -27.14 42.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.435 0.694 . . . . 71.409999999999997 110.872 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 39.89 26.87 Favored Glycine 0 C--N 1.347 1.167 0 C-N-CA 123.405 0.526 . . . . 62.210000000000001 114.344 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.497 ' HE1' ' HB2' ' A' ' 1' ' ' MET . 29.0 m-85 -99.08 151.16 21.26 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 117.155 0.478 . . . . 72.329999999999998 110.37 173.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HB2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -70.21 133.89 47.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.518 0.727 . . . . 75.219999999999999 110.113 174.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 71' ' ' ILE . 58.0 t -117.22 121.47 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.216 0.607 . . . . 73.140000000000001 110.076 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -112.43 114.79 27.68 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 106.155 -1.794 . . . . 71.140000000000001 106.155 167.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 104' ' ' VAL . 61.2 tp -115.32 126.81 54.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.907 0.883 . . . . 74.450000000000003 110.581 -168.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 29.5 tp -110.68 116.55 31.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.789 0.836 . . . . 42.210000000000001 109.3 175.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.61 113.05 26.09 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.965 -0.754 . . . . 74.140000000000001 108.965 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 48.8 tt0 -106.01 109.56 21.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.791 0.436 . . . . 74.310000000000002 109.892 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 11.7 t70 -149.19 127.77 12.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.881 -1.155 . . . . 74.420000000000002 107.881 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -81.67 -7.52 59.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.333 0.653 . . . . 63.100000000000001 112.173 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.79 101.12 11.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 106.646 -1.613 . . . . 73.319999999999993 106.646 172.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 44.2 mt-10 -70.68 -12.96 61.88 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.523 -0.762 . . . . 63.310000000000002 112.778 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.14 -45.32 27.2 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.128 -0.693 . . . . 64.109999999999999 109.128 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.89 -39.9 79.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.189 0.595 . . . . 73.310000000000002 110.227 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 38.8 tp -63.97 -45.19 90.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.518 -1.219 . . . . 75.010000000000005 110.812 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.06 -47.97 82.31 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.774 0.671 . . . . 75.400000000000006 111.574 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.13 -43.47 92.0 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.056 0.847 . . . . 72.019999999999996 111.798 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -76.04 -31.67 58.95 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.904 -0.589 . . . . 74.209999999999994 111.224 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -67.96 -50.21 57.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.909 0.884 . . . . 61.420000000000002 109.468 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.63 -23.44 60.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.507 0.504 . . . . 75.510000000000005 111.457 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.4 -48.0 83.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.222 1.009 . . . . 70.239999999999995 111.004 172.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.9 mt -86.85 -17.0 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 114.934 -1.03 . . . . 64.439999999999998 110.959 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.29 -34.37 73.66 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.462 0.705 . . . . 73.120000000000005 110.373 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 t -68.15 -23.06 64.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.209 1.004 . . . . 71.109999999999999 111.937 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.72 -20.74 64.41 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.324 0.65 . . . . 62.130000000000003 111.648 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.45 53.03 3.19 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.883 -0.487 . . . . 64.200000000000003 111.883 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -124.45 163.08 22.57 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.56 0.744 . . . . 72.439999999999998 110.173 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.51 98.04 5.21 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.395 -1.335 . . . . 75.209999999999994 107.395 164.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 94' ' ' LYS . 15.3 t -114.38 118.39 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 74.400000000000006 108.113 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -112.09 149.68 31.78 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.75 0.42 . . . . 71.319999999999993 110.562 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.98 146.61 24.47 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.114 0.966 . . . . 61.439999999999998 108.747 171.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 p -159.71 140.95 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 C-N-CA 123.557 0.743 . . . . 73.430000000000007 110.146 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.0 p -125.12 -30.17 3.23 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.048 0.939 . . . . 52.340000000000003 110.54 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -90.92 148.1 22.68 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.494 0.718 . . . . 64.049999999999997 110.469 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.51 ' HB2' HD21 ' A' ' 14' ' ' LEU . 3.0 p-10 -72.31 -43.4 64.23 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.298 0.639 . . . . 63.109999999999999 111.697 -172.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 34.3 mt-10 -73.91 -36.24 64.7 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.38 -0.6 . . . . 74.120000000000005 109.38 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.4 tt0 -57.33 -40.18 77.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.354 1.034 . . . . 75.120000000000005 110.395 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.94 -49.92 74.17 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 123.961 0.788 . . . . 65.430000000000007 110.748 175.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 58.0 mt -58.41 -44.78 89.18 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.274 0.984 . . . . 61.140000000000001 110.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 2.9 mmmp? -63.44 -42.7 98.66 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.919 0.888 . . . . 52.049999999999997 111.279 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.1 mm -71.74 -32.9 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 123.506 0.504 . . . . 63.030000000000001 111.296 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 113' ' ' ALA . 45.4 t -63.68 -38.61 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 109.465 -0.569 . . . . 61.420000000000002 109.465 172.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 19.0 mtp180 -76.99 -18.78 57.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.349 0.66 . . . . 51.5 111.428 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -66.6 -54.74 20.25 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 108.477 -0.935 . . . . 74.340000000000003 108.477 164.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 21.8 m-30 -53.89 -47.33 71.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.514 1.126 . . . . 70.540000000000006 112.292 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.568 ' SD ' HG12 ' A' ' 22' ' ' VAL . 72.6 mtm -71.85 -39.18 69.89 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.072 0.858 . . . . 75.450000000000003 111.934 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.1 -43.84 94.13 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.37 0.605 . . . . 70.209999999999994 110.232 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 94.0 mttt -73.02 -41.77 63.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.722 -1.126 . . . . 74.319999999999993 110.197 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.86 79.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.341 0.656 . . . . 62.310000000000002 110.672 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -72.36 -26.16 72.65 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.731 0.644 . . . . 72.120000000000005 111.808 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.9 t -81.76 -24.78 35.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.465 0.706 . . . . 73.510000000000005 110.129 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 87.4 mt -73.0 -44.03 61.48 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 109.225 -0.657 . . . . 75.049999999999997 109.225 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 73.5 mm-40 -65.69 -2.56 3.71 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.429 1.092 . . . . 75.150000000000006 113.921 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -58.69 165.1 2.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.553 0.741 . . . . 74.25 110.653 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -69.72 80.6 0.44 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.005 0.922 . . . . 75.329999999999998 110.887 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.2 m170 152.0 80.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 128.985 2.914 . . . . 75.340000000000003 107.806 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -153.07 174.9 13.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.849 0.46 . . . . 75.120000000000005 110.829 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -64.58 117.62 7.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.017 -1.105 . . . . 61.409999999999997 108.017 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 67.2 t60 . . . . . 0 N--CA 1.483 1.222 0 C-N-CA 124.644 1.177 . . . . 73.439999999999998 111.707 -170.394 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.837 -0.431 . . . . 63.0 109.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -154.58 130.82 10.37 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.25 -1.019 . . . . 55.039999999999999 108.25 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.434 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 39.6 mm -93.95 127.23 46.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 109.184 -0.673 . . . . 64.099999999999994 109.184 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.87 112.61 21.31 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.858 -0.793 . . . . 65.129999999999995 108.858 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 120' ' ' PHE . 24.9 mm -88.4 107.27 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 107.779 -1.193 . . . . 74.230000000000004 107.779 175.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.635 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.33 132.81 38.55 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 107.428 -1.323 . . . . 62.409999999999997 107.428 -179.39 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 81' ' ' LEU . 64.4 mt -134.97 134.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.325 0.65 . . . . 75.230000000000004 109.73 177.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.457 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 2.5 t-20 -109.96 110.25 21.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.72 -0.844 . . . . 72.200000000000003 108.72 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -128.57 133.78 48.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.978 -1.119 . . . . 73.329999999999998 107.978 163.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -83.58 -5.27 59.13 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.119 0.968 . . . . 71.329999999999998 110.269 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -109.18 127.28 54.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.242 1.017 . . . . 74.209999999999994 110.558 -174.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.57 -27.49 69.28 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.283 1.033 . . . . 63.509999999999998 112.349 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.56 -45.07 94.61 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.869 0.73 . . . . 62.43 109.841 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 110' ' ' ASP . 4.5 mm? -72.73 -28.83 62.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.915 -0.564 . . . . 73.109999999999999 111.95 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.516 HD11 HD21 ' A' ' 59' ' ' ASN . 55.8 mt -59.31 -54.03 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.343 -0.614 . . . . 61.450000000000003 109.343 175.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 20.7 ptmt -72.56 -31.97 65.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.299 -0.864 . . . . 75.129999999999995 112.102 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -69.83 -42.83 73.09 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.877 0.471 . . . . 73.019999999999996 111.108 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.73 -34.86 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.708 0.63 . . . . 53.140000000000001 109.957 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.2 mttt -58.3 -40.1 81.09 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.245 0.341 . . . . 61.100000000000001 111.265 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 1.3 mmmp? -72.89 -44.91 60.74 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.821 0.449 . . . . 73.549999999999997 110.468 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -49.73 -53.46 24.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.356 1.062 . . . . 73.540000000000006 112.372 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 m -84.81 -15.4 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.49 -0.777 . . . . 73.329999999999998 111.638 -171.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.42 -40.58 74.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.549 1.14 . . . . 44.240000000000002 110.2 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -67.49 -35.36 79.0 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.099 -0.955 . . . . 60.25 110.732 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.18 -0.54 56.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.388 0.675 . . . . 75.010000000000005 112.0 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.1 52.22 43.27 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.162 0.825 . . . . 62.210000000000001 115.162 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.3 m-85 -113.95 119.33 36.87 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.762 -0.829 . . . . 64.200000000000003 108.762 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 2.3 mp0 -80.61 105.81 12.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.337 0.655 . . . . 74.420000000000002 109.773 -175.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.11 139.37 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.007 0.432 . . . . 62.109999999999999 110.866 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -125.27 145.54 49.96 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 106.141 -1.8 . . . . 74.230000000000004 106.141 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -125.73 140.04 53.03 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 118.17 0.441 . . . . 74.239999999999995 109.815 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.9 t -131.61 125.26 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.304 1.042 . . . . 72.150000000000006 110.15 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -130.08 10.11 5.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.438 1.095 . . . . 73.049999999999997 111.247 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.97 147.38 28.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.79 0.436 . . . . 74.0 109.959 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 p -59.47 -32.99 70.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.823 1.249 . . . . 75.310000000000002 113.028 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.53 -42.92 86.48 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.17 0.588 . . . . 61.030000000000001 110.193 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.38 -41.82 90.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 123.907 0.754 . . . . 55.329999999999998 110.072 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.13 -51.13 71.0 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.405 1.082 . . . . 72.310000000000002 111.958 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.45 -33.55 76.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.532 0.733 . . . . 73.120000000000005 111.011 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -66.96 -39.19 87.18 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 115.271 -0.877 . . . . 71.219999999999999 110.932 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -71.44 -27.73 63.48 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.23 0.331 . . . . 62.229999999999997 111.294 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 mmt -70.43 -28.3 64.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.469 0.308 . . . . 63.009999999999998 110.904 173.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -67.78 -51.66 46.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.229 -0.656 . . . . 63.219999999999999 109.229 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -48.49 77.36 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.281 1.033 . . . . 54.310000000000002 112.658 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.37 -39.3 86.71 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.677 0.791 . . . . 65.230000000000004 110.941 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.48 -33.36 69.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.687 0.795 . . . . 73.099999999999994 111.801 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.69 -48.1 49.7 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.868 0.867 . . . . 73.209999999999994 110.159 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -94.53 77.12 3.82 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.568 -1.197 . . . . 74.25 109.55 -167.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -74.0 -3.34 28.65 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.701 -1.136 . . . . 64.540000000000006 111.106 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -47.31 132.09 13.05 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.291 1.036 . . . . 60.229999999999997 110.54 172.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.54 7.28 0.86 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.774 0.83 . . . . 74.219999999999999 112.542 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 13.1 pt-20 -58.3 131.13 49.72 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 109.093 -0.706 . . . . 73.420000000000002 109.093 164.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 3' ' ' ILE . 35.5 mmtm -87.31 128.46 35.18 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.709 -0.478 . . . . 55.009999999999998 109.709 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -108.85 132.39 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.901 -0.777 . . . . 74.409999999999997 108.901 -173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 22' ' ' VAL . 8.3 tt -105.22 129.72 53.53 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.399 -1.334 . . . . 54.299999999999997 107.399 176.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.635 ' HB ' HD22 ' A' ' 6' ' ' LEU . 25.7 mm -117.11 127.29 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.623 -0.881 . . . . 62.420000000000002 108.623 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 15' ' ' ILE . 66.0 mt -110.34 137.67 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.274 1.03 . . . . 71.310000000000002 108.283 173.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.5 t -136.89 122.31 19.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.995 -1.113 . . . . 62.229999999999997 107.995 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.516 HD21 HD11 ' A' ' 15' ' ' ILE . 1.9 m-20 -79.34 -9.78 59.67 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.12 0.568 . . . . 73.150000000000006 111.517 -178.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -113.91 130.21 56.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.855 -0.795 . . . . 61.329999999999998 108.855 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.21 -26.75 61.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.867 0.867 . . . . 72.049999999999997 112.669 -173.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -72.45 -41.89 65.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.908 -0.775 . . . . 74.310000000000002 108.908 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.93 -31.02 72.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.075 0.55 . . . . 71.510000000000005 110.462 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 80' ' ' LEU . 9.0 tt -65.19 -47.97 75.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.457 -0.338 . . . . 61.039999999999999 110.374 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.67 -50.35 74.21 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.174 0.59 . . . . 72.219999999999999 111.203 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -55.6 -47.27 76.77 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 123.955 0.784 . . . . 75.340000000000003 110.264 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 6' ' ' LEU . 44.6 tpp -52.06 -55.17 22.36 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.694 1.246 . . . . 62.119999999999997 110.512 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.23 -43.45 98.06 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.613 0.765 . . . . 54.509999999999998 112.328 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.79 -22.46 61.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.651 0.78 . . . . 73.219999999999999 111.005 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.31 -32.07 29.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.656 0.783 . . . . 62.109999999999999 111.541 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 67' ' ' MET . 91.2 mt -67.36 -27.99 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 109.371 -0.603 . . . . 52.409999999999997 109.371 173.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -60.83 -33.85 73.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.162 0.985 . . . . 74.140000000000001 110.981 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -73.84 -24.59 59.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.265 0.626 . . . . 74.400000000000006 111.036 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.06 -32.84 16.54 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.201 1.0 . . . . 75.400000000000006 111.572 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.48 1.64 Allowed Glycine 0 C--N 1.351 1.401 0 C-N-CA 123.231 0.443 . . . . 72.0 113.614 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -125.06 146.63 49.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.305 0.642 . . . . 73.019999999999996 110.357 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -79.93 108.72 13.73 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 108.934 -0.765 . . . . 62.149999999999999 108.934 173.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.6 137.54 24.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.123 -0.944 . . . . 72.319999999999993 110.534 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' HE1' HD12 ' A' ' 3' ' ' ILE . 77.4 m-85 -111.02 114.04 27.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.076 -1.453 . . . . 72.439999999999998 107.076 170.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 64' ' ' LEU . 38.5 tp -104.3 128.97 52.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.945 0.498 . . . . 74.239999999999995 110.867 -173.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB3' HG12 ' A' ' 7' ' ' ILE . 29.1 tp -115.99 112.62 22.08 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.469 1.107 . . . . 72.120000000000005 108.256 171.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -98.83 113.34 25.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.847 -0.797 . . . . 52.039999999999999 108.847 174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.413 HE22 ' HG ' ' A' ' 14' ' ' LEU . 49.2 tt0 -102.57 116.9 33.53 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.504 -1.295 . . . . 74.239999999999995 107.504 171.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.483 ' O ' HD22 ' A' ' 90' ' ' LEU . 23.4 t70 -157.0 127.53 6.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.526 -0.916 . . . . 72.219999999999999 108.526 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -78.45 -16.21 57.81 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.936 0.717 . . . . 74.549999999999997 112.936 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -97.11 91.33 5.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.533 -1.284 . . . . 65.099999999999994 107.533 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.8 mt-10 -65.3 -15.01 62.07 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.076 1.139 . . . . 75.409999999999997 114.076 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.66 -50.02 59.93 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.015 -0.735 . . . . 65.200000000000003 109.015 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.18 -45.45 76.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.509 -0.769 . . . . 65.420000000000002 109.594 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 41.4 tp -57.43 -43.04 83.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.584 -1.189 . . . . 65.019999999999996 111.859 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.94 -51.5 54.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.194 0.598 . . . . 74.25 110.584 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -45.77 88.08 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.358 1.036 . . . . 64.319999999999993 111.151 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -65.75 -37.38 86.21 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.881 -0.599 . . . . 74.209999999999994 110.744 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -63.08 -56.03 20.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.338 1.055 . . . . 72.129999999999995 110.522 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.89 -25.7 65.63 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.96 0.787 . . . . 73.150000000000006 112.545 -173.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.87 -48.25 66.64 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.239 0.615 . . . . 64.219999999999999 110.506 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.42 -29.07 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.726 0.81 . . . . 71.25 110.991 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.61 -40.87 98.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.471 -1.307 . . . . 73.230000000000004 107.471 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -70.91 -24.22 62.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.277 -0.874 . . . . 71.129999999999995 111.856 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -77.01 -3.52 39.45 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.036 0.535 . . . . 73.430000000000007 111.409 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.39 47.07 3.11 Favored Glycine 0 C--N 1.351 1.377 0 C-N-CA 122.654 0.169 . . . . 65.239999999999995 113.12 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -132.34 144.07 50.3 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.546 0.739 . . . . 75.329999999999998 109.936 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.95 97.49 6.06 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.51 -0.922 . . . . 73.109999999999999 108.51 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.71 139.15 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.241 0.616 . . . . 63.32 110.709 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.524 ' HG2' HG21 ' A' ' 116' ' ' ILE . 13.7 tpt180 -124.06 150.12 45.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.611 1.164 . . . . 75.329999999999998 108.693 175.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.582 ' HG3' ' HG3' ' A' ' 94' ' ' LYS . 56.4 mtpt -98.03 159.58 14.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.644 0.778 . . . . 75.150000000000006 109.62 172.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -165.14 148.4 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.989 0.916 . . . . 61.530000000000001 109.33 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -118.17 -36.73 3.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.961 0.904 . . . . 75.510000000000005 110.499 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.4 139.04 40.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.281 0.632 . . . . 43.039999999999999 109.7 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.0 p-10 -75.97 -33.37 59.77 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.505 0.503 . . . . 63.520000000000003 110.22 176.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.39 -42.55 96.07 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.895 0.747 . . . . 72.239999999999995 109.805 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' HG12 ' A' ' 116' ' ' ILE . 31.1 tt0 -80.2 -31.22 38.71 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.944 -1.026 . . . . 65.430000000000007 110.02 -175.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -51.33 -47.67 62.63 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 123.566 0.746 . . . . 73.209999999999994 110.458 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.516 HD11 ' HE2' ' A' ' 17' ' ' LYS . 56.4 mt -61.7 -39.63 92.14 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 124.627 1.204 . . . . 64.099999999999994 110.611 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 9.9 mmpt? -71.77 -25.65 62.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.594 0.758 . . . . 73.430000000000007 111.587 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 105' ' ' ARG . 26.9 mm -81.02 -30.22 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 N-CA-C 109.952 -0.388 . . . . 75.219999999999999 109.952 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 113' ' ' ALA . 39.6 t -61.88 -42.61 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.915 -0.402 . . . . 63.0 109.915 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 9.9 ptm180 -67.41 -25.44 65.94 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.389 0.431 . . . . 73.219999999999999 110.977 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 123.345 0.403 . . . . 55.539999999999999 109.975 173.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 5' ' ' ILE . 33.7 m-85 -59.57 -41.49 90.32 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.384 0.674 . . . . 73.129999999999995 112.114 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.8 mtm -67.48 -28.98 68.31 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 123.447 0.467 . . . . 71.219999999999999 111.409 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -78.14 -43.01 30.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.489 0.716 . . . . 71.140000000000001 111.477 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.86 -42.68 66.59 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.242 1.017 . . . . 75.120000000000005 111.008 -174.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.64 -31.79 64.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.813 0.845 . . . . 74.219999999999999 111.081 171.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.52 -29.82 67.33 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.46 1.1 . . . . 12.33 113.241 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -71.41 -36.95 71.51 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.125 0.57 . . . . 71.349999999999994 110.328 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.73 -35.24 65.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.401 0.68 . . . . 73.109999999999999 110.697 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.03 -27.85 67.74 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.234 -0.894 . . . . 51.530000000000001 110.442 174.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 59.2 42.01 19.32 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 107.61 -1.255 . . . . 72.450000000000003 107.61 -165.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.29 81.71 0.36 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.32 -1.763 . . . . 74.319999999999993 108.974 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -78.7 82.95 4.89 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.936 0.874 . . . . 74.120000000000005 110.331 -175.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -150.41 97.83 2.58 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 105.49 -2.041 . . . . 64.310000000000002 105.49 174.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -55.31 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 O-C-N 124.59 1.181 . . . . 44.43 111.891 -172.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.256 1.433 0 C-N-CA 125.19 1.396 . . . . 72.420000000000002 108.026 -174.55 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 ttm . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.028 -0.36 . . . . 70.530000000000001 110.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 49' ' ' LYS . 2.8 ptmm? -165.61 121.91 1.38 Allowed 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.33 0.652 . . . . 55.420000000000002 109.4 175.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -99.73 136.02 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 109.005 -0.739 . . . . 71.230000000000004 109.005 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 63.6 mt -107.54 117.73 34.86 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.269 0.628 . . . . 60.140000000000001 109.885 -170.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 120' ' ' PHE . 27.5 mm -94.81 104.0 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.708 -1.219 . . . . 51.149999999999999 107.708 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -90.87 129.48 36.91 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.832 -1.544 . . . . 62.109999999999999 106.832 -178.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.56 132.57 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.157 0.583 . . . . 74.140000000000001 110.085 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' SER . 5.4 t30 -120.69 113.59 20.44 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.803 -1.184 . . . . 65.129999999999995 107.803 171.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 4.5 t -125.63 145.58 50.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.023 0.529 . . . . 73.299999999999997 110.377 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -73.53 -26.03 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.465 0.706 . . . . 74.409999999999997 110.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.401 HD22 HD23 ' A' ' 14' ' ' LEU . 83.6 m-20 -109.81 131.01 55.45 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.088 -0.96 . . . . 61.200000000000003 112.121 -166.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.7 -21.8 66.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.006 -0.997 . . . . 73.019999999999996 110.718 170.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.42 -42.51 92.44 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.194 0.598 . . . . 75.340000000000003 110.062 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 110' ' ' ASP . 4.1 mm? -74.49 -28.37 60.97 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 119.396 -0.335 . . . . 74.040000000000006 111.321 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 69.0 mt -58.56 -59.97 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.328 -0.619 . . . . 63.409999999999997 109.328 171.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -63.59 -37.56 87.79 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 123.611 0.569 . . . . 75.540000000000006 111.971 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.0 mtpt -70.68 -50.44 36.52 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 122.53 0.332 . . . . 61.149999999999999 111.875 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.12 -35.4 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 122.926 0.491 . . . . 63.229999999999997 110.69 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG2' HG21 ' A' ' 29' ' ' VAL . 60.8 mtpt -61.87 -37.31 84.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.717 0.407 . . . . 72.409999999999997 111.725 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.49 -49.46 59.52 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.431 0.457 . . . . 71.200000000000003 110.364 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 23.9 mm-40 -45.66 -54.24 8.07 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.562 1.164 . . . . 64.129999999999995 110.971 176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG12 ' SD ' ' A' ' 121' ' ' MET . 10.2 m -84.13 -20.51 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 115.415 -0.811 . . . . 72.030000000000001 112.553 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -68.33 -39.28 81.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.9 0.381 . . . . 72.430000000000007 109.997 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.75 -21.63 65.26 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.528 -0.76 . . . . 61.009999999999998 110.704 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 18.3 mm-40 -96.53 -7.29 34.96 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.738 0.815 . . . . 73.409999999999997 111.452 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.48 73.75 0.87 Allowed Glycine 0 C--N 1.35 1.315 0 C-N-CA 122.875 0.274 . . . . 33.149999999999999 113.551 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 55.2 m-85 -140.93 116.49 10.19 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.636 1.174 . . . . 74.299999999999997 108.604 174.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HB2' HD13 ' A' ' 54' ' ' ILE . 93.9 mt-30 -72.17 109.2 5.78 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.694 0.397 . . . . 72.099999999999994 110.434 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 19' ' ' LYS . 57.3 t -78.59 137.38 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.835 0.454 . . . . 74.200000000000003 110.067 174.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HB2' HD13 ' A' ' 56' ' ' ILE . 24.6 mmt85 -122.31 111.48 16.95 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 107.356 -1.35 . . . . 74.230000000000004 107.356 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.83 117.35 29.69 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.209 -0.663 . . . . 70.450000000000003 109.209 -174.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -120.48 116.72 51.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 124.85 1.26 . . . . 54.0 108.519 -174.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -118.5 -4.66 10.81 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.983 0.913 . . . . 74.439999999999998 110.549 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -139.66 145.04 37.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.631 0.772 . . . . 65.129999999999995 110.775 -170.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 59.3 p -57.5 -42.48 82.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.906 1.282 . . . . 62.130000000000003 112.805 177.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.9 -28.0 63.21 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.939 0.495 . . . . 73.340000000000003 111.204 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 10.9 mm-40 -80.0 -26.8 39.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.288 0.635 . . . . 74.349999999999994 111.352 173.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.66 -44.64 93.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.719 . . . . 72.319999999999993 109.47 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 35' ' ' SER . 30.6 mmmt -57.87 -28.64 64.34 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.933 -1.03 . . . . 74.140000000000001 111.422 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 40.9 mmtm -71.06 -60.6 2.14 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.208 0.603 . . . . 64.450000000000003 110.26 174.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -67.6 -28.54 67.84 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.701 1.001 . . . . 71.109999999999999 113.701 -164.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -36.0 82.35 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.782 0.433 . . . . 64.129999999999995 111.23 174.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.25 -38.4 75.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.877 0.471 . . . . 73.540000000000006 109.822 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -64.75 -36.47 84.39 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.133 0.573 . . . . 73.439999999999998 111.948 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -59.97 -29.85 68.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.102 0.561 . . . . 74.040000000000006 111.88 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.77 -36.0 22.02 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.414 0.686 . . . . 72.5 111.432 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.7 -50.36 21.23 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.538 0.685 . . . . 72.409999999999997 111.126 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.21 30.78 0.93 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.413 1.085 . . . . 64.310000000000002 110.614 -172.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 41.2 ttmt -67.02 94.33 0.33 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.901 0.88 . . . . 61.409999999999997 110.705 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -142.95 176.44 9.08 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.84 -1.17 . . . . 61.439999999999998 107.84 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -56.13 -16.53 5.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.354 1.061 . . . . 74.409999999999997 112.666 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.83 110.71 1.07 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.476 1.51 . . . . 55.109999999999999 111.93 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 146.11 31.0 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.365 -0.605 . . . . 64.209999999999994 109.365 175.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 28' ' ' GLN . 37.4 mm -119.01 140.8 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.261 0.624 . . . . 74.239999999999995 110.275 -175.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 9.9 tt -109.24 128.4 55.03 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.375 -1.343 . . . . 73.129999999999995 107.375 167.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.604 ' HB ' HD22 ' A' ' 6' ' ' LEU . 11.1 mm -109.25 126.96 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.243 -1.021 . . . . 73.109999999999999 108.243 176.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.1 mt -102.41 121.15 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.708 -0.849 . . . . 75.120000000000005 108.708 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 46.3 t -113.64 130.45 56.39 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 106.665 -1.605 . . . . 71.450000000000003 106.665 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.411 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -94.34 6.75 47.73 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.234 0.47 . . . . 55.149999999999999 111.353 -179.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.28 146.99 43.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.399 0.518 . . . . 71.099999999999994 112.399 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -68.8 -41.25 78.96 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.797 1.239 . . . . 72.209999999999994 111.81 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -67.08 -46.4 74.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.883 0.873 . . . . 31.309999999999999 109.252 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.77 -49.09 76.31 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.783 -1.099 . . . . 71.230000000000004 110.471 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 80' ' ' LEU . 8.7 tt -55.57 -41.91 73.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.988 0.915 . . . . 74.349999999999994 111.813 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.34 -53.4 49.32 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.511 0.507 . . . . 75.450000000000003 110.895 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -47.74 69.36 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 124.169 0.918 . . . . 71.430000000000007 110.385 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 6' ' ' LEU . 47.4 ttm -53.04 -51.98 59.98 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.212 1.805 . . . . 73.430000000000007 112.075 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD11 HD22 ' A' ' 80' ' ' LEU . 85.1 mt -64.79 -38.68 91.81 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.713 0.633 . . . . 72.510000000000005 111.962 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -70.38 -28.21 64.92 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.888 0.475 . . . . 72.019999999999996 111.14 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.65 -40.12 56.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.097 0.959 . . . . 53.450000000000003 110.673 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.79 -27.18 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.838 0.855 . . . . 74.299999999999997 110.666 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -64.13 -32.97 74.73 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.638 0.775 . . . . 55.109999999999999 110.1 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -73.62 -37.66 65.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.406 -0.816 . . . . 73.230000000000004 110.199 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.98 -29.07 68.01 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.508 0.723 . . . . 75.0 110.854 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.04 70.59 1.11 Allowed Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.977 -0.556 . . . . 24.129999999999999 113.753 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.16 158.23 36.09 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.48 0.712 . . . . 72.319999999999993 110.463 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.88 118.09 18.29 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.866 -0.79 . . . . 71.340000000000003 108.866 168.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 50.6 t -115.79 122.72 70.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.494 -0.776 . . . . 70.239999999999995 109.684 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -101.23 114.43 28.39 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.658 -1.608 . . . . 71.0 106.658 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 64' ' ' LEU . 48.4 tp -101.52 132.91 46.9 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.07 0.548 . . . . 73.030000000000001 110.508 -175.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 46.8 tp -118.09 113.84 22.2 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.156 0.982 . . . . 70.209999999999994 108.633 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.34 113.35 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.662 0.785 . . . . 75.349999999999994 109.625 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 53.4 tt0 -103.67 118.25 36.27 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.808 -0.812 . . . . 73.420000000000002 108.808 172.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -156.05 138.03 14.49 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.108 -0.701 . . . . 74.230000000000004 109.108 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -79.09 -22.7 44.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.258 0.623 . . . . 73.439999999999998 112.012 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -92.79 90.85 7.2 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.938 -1.134 . . . . 64.400000000000006 107.938 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 41.7 mt-10 -73.79 -16.79 61.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.876 1.065 . . . . 70.129999999999995 113.876 -165.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.04 -41.85 63.75 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.945 -0.761 . . . . 71.040000000000006 108.945 174.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.08 -36.5 64.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.207 -0.906 . . . . 74.310000000000002 109.994 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 34.3 tp -62.18 -44.36 96.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.436 1.094 . . . . 72.049999999999997 110.794 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.6 -45.98 77.4 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.418 0.687 . . . . 64.340000000000003 110.761 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -56.03 -52.57 63.77 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 123.762 0.664 . . . . 70.439999999999998 111.849 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.24 -38.95 91.2 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.597 0.759 . . . . 72.230000000000004 110.766 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.74 -52.57 62.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.193 0.997 . . . . 75.150000000000006 111.008 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -69.12 -25.92 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.653 0.612 . . . . 72.409999999999997 112.653 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -46.25 90.95 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.025 0.441 . . . . 74.019999999999996 110.017 171.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -81.32 -29.28 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.29 1.036 . . . . 52.310000000000002 111.598 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.01 -41.57 99.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.789 0.835 . . . . 54.140000000000001 109.554 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -70.3 -27.64 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.874 -1.057 . . . . 73.0 111.014 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.51 -17.85 64.82 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.112 0.565 . . . . 52.219999999999999 111.521 176.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.3 42.45 1.75 Allowed Glycine 0 C--N 1.349 1.286 0 C-N-CA 122.878 0.275 . . . . 64.319999999999993 112.505 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -119.29 138.26 53.14 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.444 0.698 . . . . 72.219999999999999 109.881 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -82.18 92.94 6.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.307 -0.998 . . . . 71.430000000000007 108.307 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.01 123.76 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.994 0.518 . . . . 63.420000000000002 110.939 -171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -106.37 152.63 23.33 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.765 0.826 . . . . 63.350000000000001 109.294 167.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 90' ' ' LEU . 38.3 mtmt -102.67 167.76 9.69 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.615 1.166 . . . . 74.349999999999994 109.361 174.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.68 153.35 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.651 0.781 . . . . 65.430000000000007 110.574 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.2 p -123.86 -29.5 3.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.232 1.013 . . . . 70.329999999999998 110.635 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.96 145.33 26.07 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.503 0.721 . . . . 74.120000000000005 111.76 -171.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . 3.6 t70 -61.66 -51.9 66.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.101 1.36 . . . . 74.420000000000002 112.468 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.23 -37.89 72.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 110.979 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.69 -33.4 75.8 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.379 0.425 . . . . 70.109999999999999 110.788 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.88 -47.14 83.61 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.459 0.474 . . . . 63.229999999999997 110.996 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 17' ' ' LYS . 52.0 mt -59.17 -39.58 82.94 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 124.054 0.846 . . . . 72.400000000000006 110.701 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 64.3 mttm -66.38 -44.97 81.65 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 114.745 -1.116 . . . . 71.340000000000003 110.696 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 42.7 mm -66.98 -33.6 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 121.995 0.118 . . . . 74.120000000000005 110.908 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 113' ' ' ALA . 90.2 t -66.92 -44.35 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.807 0.443 . . . . 75.140000000000001 110.626 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -69.55 -25.95 64.26 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.441 -0.207 . . . . 73.340000000000003 110.441 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 32.0 mm-40 -65.58 -53.78 37.07 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.699 -0.482 . . . . 74.430000000000007 109.699 169.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 5' ' ' ILE . 10.3 m-30 -56.03 -40.03 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.37 1.068 . . . . 75.409999999999997 113.128 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.632 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.1 mtm -70.48 -33.25 71.03 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.108 0.563 . . . . 61.420000000000002 112.006 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.55 -39.01 65.04 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.393 0.677 . . . . 74.530000000000001 110.704 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 62.6 mttm -68.34 -41.43 80.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.637 0.775 . . . . 75.340000000000003 109.77 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.21 -45.14 84.07 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.03 -0.986 . . . . 74.409999999999997 110.257 171.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.42 -30.67 78.5 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.021 -0.991 . . . . 61.340000000000003 113.13 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.1 m -71.54 -38.79 70.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.25 0.62 . . . . 73.310000000000002 110.153 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 131' ' ' HIS . 86.1 mt -65.5 -42.45 92.09 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.025 -0.731 . . . . 74.540000000000006 109.025 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.58 -28.11 69.41 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.952 -1.022 . . . . 72.129999999999995 111.652 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -76.81 28.01 0.13 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.772 0.829 . . . . 71.5 112.09 173.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 73.38 41.93 0.44 Allowed 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.372 1.469 . . . . 75.209999999999994 111.393 167.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 127' ' ' LEU . 31.8 t60 -72.69 110.18 6.85 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.381 -1.34 . . . . 63.299999999999997 107.381 163.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -63.58 133.26 53.44 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.498 0.499 . . . . 75.209999999999994 110.651 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -83.96 89.11 7.18 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.458 -0.571 . . . . 71.140000000000001 109.458 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.256 1.422 0 N-CA-C 108.35 -0.982 . . . . 75.400000000000006 108.35 177.317 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.016 -0.735 . . . . 75.409999999999997 109.016 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -153.78 145.5 23.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.954 0.502 . . . . 72.129999999999995 110.743 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.2 mt -93.53 128.68 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.417 -0.957 . . . . 71.140000000000001 108.417 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 43.3 mt -111.41 135.24 52.25 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.855 -0.795 . . . . 54.009999999999998 108.855 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -109.54 103.36 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 107.319 -1.363 . . . . 62.539999999999999 107.319 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -88.49 115.15 25.8 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.005 -1.48 . . . . 61.240000000000002 107.005 -178.72 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.492 HD12 HD21 ' A' ' 55' ' ' LEU . 68.7 mt -116.89 132.31 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.924 -0.769 . . . . 54.340000000000003 108.924 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.0 t-20 -127.4 114.03 17.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.102 -1.073 . . . . 71.140000000000001 108.102 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -125.41 141.1 52.25 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.139 -1.06 . . . . 42.350000000000001 108.139 170.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -84.74 -15.62 44.47 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.753 0.787 . . . . 64.540000000000006 109.17 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.9 115.82 25.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 114.51 -1.223 . . . . 54.130000000000003 109.737 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.67 -40.72 93.13 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.65 0.78 . . . . 71.310000000000002 111.494 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.91 -29.91 70.41 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.912 -0.585 . . . . 74.239999999999995 110.978 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 110' ' ' ASP . 4.4 mm? -72.6 -26.11 61.57 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.202 -0.427 . . . . 74.430000000000007 111.802 175.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG23 HG21 ' A' ' 57' ' ' ILE . 59.3 mt -63.16 -56.71 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 N-CA-C 109.206 -0.665 . . . . 74.5 109.206 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 22.8 ptmt -62.36 -30.58 71.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 112.267 0.469 . . . . 72.209999999999994 112.267 -175.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 27.4 mtpp -68.06 -58.92 3.71 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.073 0.549 . . . . 75.439999999999998 111.126 173.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 7' ' ' ILE . 82.3 mt -59.1 -35.07 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.772 0.829 . . . . 74.0 111.565 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 54.0 mtmt -56.93 -43.46 81.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.84 0.456 . . . . 64.409999999999997 110.714 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -69.16 -51.55 37.11 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 122.689 0.396 . . . . 72.430000000000007 110.586 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 15.0 mm-40 -48.66 -54.9 12.92 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 124.56 1.162 . . . . 74.049999999999997 112.186 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 m -84.43 -25.95 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.193 -0.912 . . . . 74.439999999999998 112.229 -166.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.3 tm-20 -65.03 -36.35 84.11 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 108.554 -0.906 . . . . 44.310000000000002 108.554 174.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.3 -27.71 64.61 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.228 -0.896 . . . . 53.439999999999998 111.289 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 27.3 mm-40 -85.4 -0.15 53.95 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.02 0.528 . . . . 75.030000000000001 112.033 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.69 2.31 72.71 Favored Glycine 0 C--N 1.354 1.579 0 N-CA-C 114.701 0.64 . . . . 32.509999999999998 114.701 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -91.71 126.48 36.81 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.586 0.693 . . . . 72.329999999999998 109.685 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -76.11 112.26 12.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.486 0.714 . . . . 72.239999999999995 111.185 -170.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.25 119.62 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.091 0.87 . . . . 63.509999999999998 111.22 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -120.17 146.04 46.38 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.501 1.12 . . . . 64.140000000000001 108.468 170.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.19 118.77 22.94 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.474 -0.935 . . . . 74.120000000000005 108.474 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.92 115.19 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.714 -0.847 . . . . 53.409999999999997 108.714 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -127.19 13.0 7.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.692 0.797 . . . . 63.32 111.014 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.75 144.69 27.22 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.501 0.72 . . . . 73.400000000000006 110.837 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -41.79 98.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.286 1.034 . . . . 62.240000000000002 113.093 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -33.23 74.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.421 0.288 . . . . 74.150000000000006 111.259 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -63.56 -45.51 90.17 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.32 -0.622 . . . . 51.210000000000001 109.32 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 42' ' ' MET . 7.0 tt -56.9 -59.88 4.4 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.316 1.046 . . . . 63.25 110.947 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 52.4 mtmt -56.25 -39.04 71.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.131 0.972 . . . . 72.310000000000002 111.819 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -63.37 -51.79 64.41 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.703 0.627 . . . . 74.030000000000001 111.382 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.2 pt-20 -79.69 -17.94 52.45 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 119.459 -0.305 . . . . 73.030000000000001 111.692 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.48 -42.82 82.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.925 0.49 . . . . 54.530000000000001 109.935 170.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 33.7 mmtp -61.54 -43.94 97.94 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.435 -0.802 . . . . 71.129999999999995 110.103 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -59.62 -40.09 86.41 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.282 0.989 . . . . 72.329999999999998 112.229 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 90.9 mt -50.7 -44.0 57.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.609 0.568 . . . . 75.299999999999997 111.029 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -79.47 -20.43 47.37 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.905 -1.043 . . . . 52.030000000000001 112.625 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 43.7 mt-10 -87.39 -54.42 4.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.56 0.744 . . . . 72.120000000000005 110.712 -177.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.42 90.7 4.62 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.841 1.305 . . . . 73.299999999999997 107.504 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -82.34 28.39 0.46 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.799 -1.546 . . . . 73.349999999999994 112.209 -172.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -66.14 163.46 17.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.769 0.795 . . . . 72.230000000000004 111.247 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.27 30.31 1.49 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.999 0.919 . . . . 72.25 110.451 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -89.43 124.39 34.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.588 0.755 . . . . 70.140000000000001 110.589 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 9.2 mptt -82.43 115.67 21.55 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.309 0.643 . . . . 71.430000000000007 109.884 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mm -105.88 113.97 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.396 -0.82 . . . . 71.420000000000002 109.084 -172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 7' ' ' ILE . 7.7 tt -91.49 123.5 34.96 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.727 -0.842 . . . . 73.120000000000005 108.727 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 30.2 mm -100.73 140.46 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 108.633 -0.877 . . . . 75.299999999999997 108.633 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 15' ' ' ILE . 67.8 mt -120.56 122.34 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.64 -1.244 . . . . 74.129999999999995 107.64 167.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -131.83 137.94 48.29 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.885 -1.154 . . . . 72.530000000000001 107.885 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.19 -26.11 21.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.966 0.906 . . . . 63.020000000000003 109.365 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -95.15 133.89 38.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.322 -0.854 . . . . 63.340000000000003 110.457 -168.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -73.18 -37.77 66.41 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.363 -0.835 . . . . 75.230000000000004 111.497 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.3 -45.78 83.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.711 0.804 . . . . 64.450000000000003 110.467 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.3 -46.66 89.39 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.824 0.702 . . . . 70.329999999999998 110.499 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 80' ' ' LEU . 8.5 tt -52.39 -47.18 66.37 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.798 0.686 . . . . 62.210000000000001 111.389 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -59.66 -53.74 54.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.818 0.847 . . . . 64.420000000000002 111.771 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.36 -42.07 94.98 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.855 0.722 . . . . 72.439999999999998 110.915 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 6' ' ' LEU . 40.0 ttm -56.97 -55.52 33.59 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 124.732 1.27 . . . . 72.209999999999994 111.103 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.26 -37.38 87.27 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.928 0.768 . . . . 74.319999999999993 112.379 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 51.1 mt-10 -70.91 -34.4 71.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.063 0.145 . . . . 73.099999999999994 110.983 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.99 -41.78 81.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.119 0.568 . . . . 70.25 110.745 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 78' ' ' VAL . 97.7 mt -66.67 -30.14 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 123.723 0.809 . . . . 73.040000000000006 110.365 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 t -65.84 -37.84 87.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.485 0.714 . . . . 74.400000000000006 110.542 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 25.7 mmmt -77.6 -12.76 60.0 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.135 -0.484 . . . . 52.219999999999999 110.83 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 46' ' ' ALA . 90.1 mt -92.42 -36.02 13.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.831 0.852 . . . . 62.119999999999997 110.697 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.53 82.01 0.84 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.803 -0.635 . . . . 74.329999999999998 113.601 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HD2' HG23 ' A' ' 71' ' ' ILE . 58.8 m-85 -133.4 153.12 51.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.609 0.763 . . . . 73.120000000000005 110.365 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.02 104.87 10.88 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.072 -0.714 . . . . 75.409999999999997 109.072 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 4' ' ' LEU . 22.1 t -114.11 131.09 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 122.706 0.402 . . . . 63.140000000000001 110.759 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -101.47 115.73 31.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.21 -1.034 . . . . 74.200000000000003 108.21 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 64' ' ' LEU . 46.4 tp -98.67 134.46 41.56 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.084 0.469 . . . . 60.32 110.896 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 27.9 tp -122.11 125.86 47.12 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.883 0.873 . . . . 73.319999999999993 108.65 171.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.11 116.34 31.36 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.55 -0.908 . . . . 74.319999999999993 108.55 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.71 104.17 15.45 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 72.140000000000001 108.012 170.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 9.7 m-20 -137.0 117.87 14.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.621 -1.622 . . . . 62.329999999999998 106.621 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -70.27 -19.33 63.12 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.188 0.595 . . . . 73.409999999999997 110.454 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -94.55 113.73 25.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.339 -0.985 . . . . 72.120000000000005 108.339 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 33.5 mt-10 -75.93 -7.32 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.217 0.451 . . . . 73.340000000000003 112.217 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -68.88 -48.98 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.975 -0.75 . . . . 55.32 108.975 168.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.92 -37.14 62.13 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.163 -0.926 . . . . 74.340000000000003 110.653 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.62 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 16.1 tp -63.69 -54.36 36.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.708 1.203 . . . . 74.230000000000004 110.788 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.78 -50.52 68.67 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.668 0.605 . . . . 75.310000000000002 112.337 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 22.5 mm-40 -53.94 -52.79 59.5 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.627 0.579 . . . . 62.140000000000001 111.815 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 96' ' ' LYS . 30.9 t80 -71.38 -29.01 64.44 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.266 0.626 . . . . 75.420000000000002 111.121 -175.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HG3' HG12 ' A' ' 104' ' ' VAL . 26.0 ttpt -64.45 -58.86 5.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.398 0.679 . . . . 64.409999999999997 110.854 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -64.34 -23.35 67.26 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.93 -1.032 . . . . 55.219999999999999 112.943 -170.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 62.5 mttm -59.46 -54.39 47.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.748 0.785 . . . . 65.129999999999995 110.702 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mt -86.12 -16.68 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.414 1.086 . . . . 71.400000000000006 110.972 -171.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.88 -38.19 75.34 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.453 1.101 . . . . 73.420000000000002 110.134 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -72.44 -26.05 61.69 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.028 -0.987 . . . . 54.140000000000001 111.27 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -76.08 8.11 3.53 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.052 0.76 . . . . 72.209999999999994 113.052 -176.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.68 -6.84 82.82 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 113.883 0.313 . . . . 71.140000000000001 113.883 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.47 134.5 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.512 0.725 . . . . 74.420000000000002 109.895 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.74 95.31 1.11 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.078 -0.712 . . . . 70.239999999999995 109.078 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 94' ' ' LYS . 20.2 t -99.27 110.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 108.948 -0.76 . . . . 70.120000000000005 108.948 -176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -108.36 154.26 22.1 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.048 0.452 . . . . 73.519999999999996 110.373 -177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -95.12 157.29 15.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.48 1.112 . . . . 75.430000000000007 110.939 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.3 p -168.16 139.65 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 124.338 1.024 . . . . 75.329999999999998 109.605 161.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 p -107.98 -33.01 7.33 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.729 0.811 . . . . 72.049999999999997 110.218 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.61 146.21 28.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.56 0.744 . . . . 75.120000000000005 111.998 -174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.52 ' HB3' HD21 ' A' ' 14' ' ' LEU . 19.0 m-20 -72.02 -51.56 21.2 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.476 -1.238 . . . . 74.140000000000001 111.137 -176.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.2 -34.86 75.54 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.02 -0.991 . . . . 75.219999999999999 110.494 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 34.9 tt0 -73.46 -31.63 63.89 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.973 -0.537 . . . . 70.319999999999993 110.866 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.18 -43.15 52.26 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.297 0.373 . . . . 54.399999999999999 111.125 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.72 -42.34 98.82 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.267 1.027 . . . . 73.409999999999997 111.025 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.2 -31.41 71.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.252 1.021 . . . . 62.549999999999997 111.228 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 112' ' ' GLU . 23.1 mm -78.12 -36.81 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.755 -0.461 . . . . 73.200000000000003 109.755 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 113' ' ' ALA . 82.0 t -57.68 -41.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 122.995 0.518 . . . . 72.400000000000006 109.738 172.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -58.18 -39.7 79.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.196 -0.911 . . . . 61.43 111.49 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 76.9 mm-40 -62.59 -47.01 85.67 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.557 0.535 . . . . 74.239999999999995 110.703 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.469 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.3 m-85 -61.37 -42.66 99.07 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.33 0.652 . . . . 73.120000000000005 112.697 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 72.3 mtm -70.02 -27.83 64.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.383 0.673 . . . . 74.329999999999998 111.254 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -74.88 -36.57 62.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 64.329999999999998 110.962 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 93.9 mttt -71.99 -41.04 68.1 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.339 0.656 . . . . 61.049999999999997 109.566 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.76 88.61 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.64 0.776 . . . . 75.340000000000003 109.924 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.5 -27.24 73.91 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 124.172 0.92 . . . . 34.420000000000002 112.695 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.4 m -74.83 -38.59 61.98 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.117 0.567 . . . . 61.020000000000003 109.694 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.74 -11.46 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.608 0.763 . . . . 64.219999999999999 110.26 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.35 -41.98 19.3 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.277 0.631 . . . . 74.230000000000004 110.891 170.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -89.37 58.16 4.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.023 -0.535 . . . . 70.349999999999994 110.877 -171.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -60.81 -44.34 97.0 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.681 0.753 . . . . 61.340000000000003 109.595 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 134' ' ' HIS . 57.6 m80 -91.57 57.08 3.19 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.558 -1.201 . . . . 73.450000000000003 109.642 176.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -62.57 116.53 5.22 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.773 -1.103 . . . . 71.120000000000005 108.632 168.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 67.51 86.87 0.13 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.441 1.096 . . . . 71.540000000000006 109.392 -163.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 131' ' ' HIS . 27.6 p80 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 123.851 0.86 . . . . 62.240000000000002 109.766 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.315 -0.624 . . . . 65.329999999999998 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -113.8 117.13 30.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.189 0.595 . . . . 74.109999999999999 109.447 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.4 mt -103.51 121.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.949 -1.13 . . . . 72.400000000000006 107.949 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 63.8 mt -106.41 107.54 18.6 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.209 -0.663 . . . . 75.450000000000003 109.209 -176.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 120' ' ' PHE . 29.4 mm -83.93 103.28 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.424 -1.325 . . . . 55.549999999999997 107.424 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -92.01 134.2 35.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.663 -1.606 . . . . 73.099999999999994 106.663 -176.398 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.483 HD12 HD21 ' A' ' 55' ' ' LEU . 68.4 mt -135.7 125.42 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 109.566 -0.531 . . . . 73.510000000000005 109.566 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.3 t-20 -108.04 111.84 24.1 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 108.407 -0.96 . . . . 72.319999999999993 108.407 169.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 t -127.51 138.11 52.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.985 -1.117 . . . . 75.150000000000006 107.985 166.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -88.07 -9.69 52.51 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.122 0.487 . . . . 71.209999999999994 109.739 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.6 112.37 22.23 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.169 0.988 . . . . 74.340000000000003 109.576 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.1 m-20 -56.69 -34.6 67.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.284 1.034 . . . . 74.140000000000001 111.577 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.61 -47.89 81.8 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.803 -0.635 . . . . 63.43 110.305 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.46 -29.34 69.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 119.236 -0.411 . . . . 74.329999999999998 111.353 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 57' ' ' ILE . 73.1 mt -60.78 -59.6 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 109.978 -0.379 . . . . 62.439999999999998 109.978 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -64.1 -34.84 78.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.414 0.686 . . . . 71.140000000000001 112.158 -175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HE3' HD11 ' A' ' 114' ' ' LEU . 29.5 mtpp -69.13 -51.55 37.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.474 0.71 . . . . 73.109999999999999 110.837 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.93 -39.17 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 O-C-N 123.969 0.793 . . . . 61.219999999999999 110.522 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG11 ' A' ' 29' ' ' VAL . 92.9 mttt -51.26 -44.63 61.81 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.608 0.567 . . . . 74.430000000000007 111.331 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.4 mmmm -81.49 -46.3 14.73 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.798 -0.637 . . . . 74.109999999999999 111.742 -173.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 17.0 mm-40 -52.14 -49.95 62.72 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.599 0.76 . . . . 65.150000000000006 112.151 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.507 HG21 HD13 ' A' ' 55' ' ' LEU . 5.5 m -82.47 -21.09 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.964 0.727 . . . . 73.140000000000001 112.964 -167.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -75.09 -16.27 60.57 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 122.852 0.095 . . . . 72.319999999999993 111.105 178.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -32.4 73.82 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.569 0.543 . . . . 62.25 110.484 169.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -91.64 3.92 53.92 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.802 0.841 . . . . 70.030000000000001 111.877 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.36 39.52 56.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.173 0.429 . . . . 73.239999999999995 114.173 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.55 113.63 26.8 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.745 0.818 . . . . 71.129999999999995 109.076 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.6 109.5 4.34 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 124.05 0.844 . . . . 71.209999999999994 109.372 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 ' HG2' ' A' ' 19' ' ' LYS . 5.2 t -82.82 121.23 35.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.491 -0.777 . . . . 73.430000000000007 109.712 -174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.6 mmp_? -126.85 114.52 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.641 1.176 . . . . 73.219999999999999 107.901 176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -105.47 138.13 42.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.399 -0.593 . . . . 74.530000000000001 109.399 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 63' ' ' LEU . 87.8 t -119.93 116.42 50.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.901 -1.148 . . . . 73.129999999999995 107.901 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -101.66 -19.94 15.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.81 0.844 . . . . 74.319999999999993 110.0 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -147.67 154.74 40.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.905 0.482 . . . . 74.239999999999995 111.036 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 28.3 m -54.47 -33.58 59.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.115 1.366 . . . . 71.140000000000001 113.186 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 17.5 t70 -57.35 -47.36 81.81 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.425 0.69 . . . . 71.5 110.239 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.39 -41.82 88.78 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 114.485 -1.234 . . . . 71.430000000000007 110.615 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.05 -47.24 68.58 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.068 0.855 . . . . 50.329999999999998 111.204 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 35' ' ' SER . 29.1 mtpp -62.81 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.959 0.787 . . . . 72.019999999999996 110.513 -178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 46.2 mmtm -61.5 -47.68 84.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.63 0.772 . . . . 75.409999999999997 110.84 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -64.63 -41.07 96.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.099 0.96 . . . . 75.120000000000005 111.208 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.469 ' HE1' HG13 ' A' ' 71' ' ' ILE . 9.3 mmt -65.9 -32.82 74.55 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.433 0.693 . . . . 63.450000000000003 112.589 -176.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mmtp -66.13 -38.75 88.92 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 123.515 0.509 . . . . 74.340000000000003 110.372 175.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -33.32 74.36 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.718 0.807 . . . . 70.530000000000001 110.857 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.01 -35.23 50.17 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.731 0.812 . . . . 74.340000000000003 110.52 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.26 -27.01 61.33 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.076 0.95 . . . . 74.140000000000001 111.51 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.85 -8.11 56.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.178 0.991 . . . . 71.129999999999995 111.092 173.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 58.27 36.72 25.86 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.679 1.192 . . . . 73.519999999999996 111.749 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -65.46 96.51 0.25 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.6 -0.727 . . . . 73.540000000000006 110.757 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 67.3 119.39 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.123 1.369 . . . . 74.25 112.211 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -71.1 102.2 2.42 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 121.712 0.768 . . . . 74.109999999999999 109.717 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -137.9 160.67 38.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.679 0.792 . . . . 65.430000000000007 111.17 -168.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 96.5 10.32 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.484 -1.302 . . . . 64.129999999999995 107.484 170.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LEU . 36.7 mm -96.7 132.48 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.79 -0.818 . . . . 62.109999999999999 108.79 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 22' ' ' VAL . 8.1 tt -105.17 117.29 33.62 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.216 -1.031 . . . . 75.230000000000004 108.216 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.2 mm -102.34 112.54 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.989 -0.745 . . . . 75.239999999999995 108.989 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -89.24 133.47 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 107.948 -1.13 . . . . 73.099999999999994 107.948 170.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -133.79 118.62 18.24 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 107.921 -1.141 . . . . 44.130000000000003 107.921 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -83.17 -22.16 33.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.953 0.501 . . . . 64.530000000000001 111.924 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 63' ' ' LEU . 21.8 t70 -105.59 141.07 37.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.862 0.865 . . . . 73.430000000000007 109.264 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -78.06 -31.22 50.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.564 0.746 . . . . 74.409999999999997 111.894 -172.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -69.46 -36.74 76.87 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.959 -0.756 . . . . 74.230000000000004 108.959 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 32' ' ' VAL . 79.2 mt -58.89 -41.45 87.22 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 123.557 0.743 . . . . 75.25 110.968 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 8.0 tt -61.08 -47.58 85.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.693 0.621 . . . . 74.120000000000005 110.596 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.59 -52.02 66.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 123.592 0.557 . . . . 75.140000000000001 110.975 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.53 -46.71 70.25 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.286 0.991 . . . . 64.409999999999997 110.458 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.547 ' HG2' HD21 ' A' ' 6' ' ' LEU . 33.9 tpp -55.2 -56.36 20.81 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.525 1.141 . . . . 73.230000000000004 110.549 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 71' ' ' ILE . 74.6 mt -64.15 -35.26 80.21 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.757 0.823 . . . . 73.319999999999993 112.473 -173.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 43.3 mt-10 -67.08 -40.4 86.98 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.621 0.575 . . . . 64.310000000000002 110.563 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 42' ' ' MET . 82.8 mt -68.61 -32.34 72.14 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.418 0.687 . . . . 71.519999999999996 111.093 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' HE1' ' A' ' 42' ' ' MET . 77.2 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.106 0.563 . . . . 63.340000000000003 110.013 175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.1 m -62.0 -33.83 75.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.855 0.462 . . . . 55.200000000000003 110.235 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 75.1 mmtt -68.08 -40.42 82.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.553 . . . . 63.340000000000003 110.692 175.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.74 -74.65 0.21 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 63.420000000000002 110.058 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.15 69.11 0.19 Allowed Glycine 0 C--N 1.347 1.168 0 N-CA-C 111.909 -0.477 . . . . 62.299999999999997 111.909 174.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -126.86 148.91 49.97 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.91 0.484 . . . . 75.200000000000003 111.649 -176.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -73.12 105.77 4.7 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.831 0.852 . . . . 71.219999999999999 110.469 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 71' ' ' ILE . 84.5 t -102.36 128.44 55.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 110.58 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.448 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 19.5 m-85 -114.79 114.59 25.77 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 106.293 -1.743 . . . . 63.520000000000003 106.293 170.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 6' ' ' LEU . 41.8 tp -107.14 132.49 52.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.694 0.798 . . . . 74.040000000000006 111.657 -168.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 35.9 tp -108.29 123.02 48.15 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.792 0.837 . . . . 70.230000000000004 109.098 166.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 90' ' ' LEU . 87.6 mt -106.11 113.34 26.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 123.825 0.85 . . . . 73.030000000000001 109.265 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -113.09 112.77 24.4 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.407 0.683 . . . . 74.349999999999994 109.2 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -155.94 143.2 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.522 -0.918 . . . . 71.409999999999997 108.522 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.79 -32.55 65.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.804 0.841 . . . . 71.420000000000002 111.762 -174.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.34 98.5 8.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.222 -0.658 . . . . 64.239999999999995 109.222 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -68.52 -38.39 80.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.059 0.544 . . . . 73.030000000000001 110.932 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.5 -48.19 76.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.598 0.759 . . . . 64.209999999999994 110.89 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -67.9 -34.97 77.68 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.793 -0.639 . . . . 74.530000000000001 110.17 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 82' ' ' LEU . 22.8 tp -70.82 -32.02 68.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.154 -0.93 . . . . 73.519999999999996 111.061 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 14.5 tp10 -56.78 -52.26 65.71 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.929 0.768 . . . . 51.520000000000003 110.09 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.24 -56.43 20.02 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.458 1.099 . . . . 75.120000000000005 110.829 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 27.4 t80 -53.4 -44.7 68.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.633 1.173 . . . . 74.409999999999997 111.308 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -40.66 91.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.188 -0.915 . . . . 74.420000000000002 111.063 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 13.7 mtp180 -62.09 -36.86 82.99 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.671 0.607 . . . . 64.010000000000005 111.766 -176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.06 -51.26 70.8 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.359 0.599 . . . . 65.030000000000001 110.066 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.408 HG21 ' CD2' ' A' ' 80' ' ' LEU . 42.8 mt -68.87 -26.36 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 114.687 -1.142 . . . . 75.310000000000002 111.828 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.01 -28.09 69.56 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.099 0.96 . . . . 61.030000000000001 111.078 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -74.29 -24.41 59.24 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.703 0.801 . . . . 61.039999999999999 112.097 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.19 -15.85 59.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.142 0.577 . . . . 71.140000000000001 112.159 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.91 57.77 2.97 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.838 0.132 . . . . 44.140000000000001 113.39 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.81 158.51 28.71 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.013 0.925 . . . . 74.450000000000003 109.254 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.58 92.5 7.66 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.224 -1.399 . . . . 65.319999999999993 107.224 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 t -105.78 113.34 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.559 -0.746 . . . . 50.219999999999999 109.339 -170.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -108.47 137.11 46.98 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.151 0.58 . . . . 72.510000000000005 109.588 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 8.6 mtpm? -97.12 149.51 21.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.798 0.839 . . . . 75.230000000000004 109.174 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.77 153.97 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.57 0.748 . . . . 75.430000000000007 109.92 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -117.51 -30.77 5.43 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 61.210000000000001 110.556 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.33 152.96 21.24 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 112.664 0.616 . . . . 72.239999999999995 112.664 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -55.57 7.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.446 1.498 . . . . 43.119999999999997 111.53 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.35 -43.62 90.31 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.206 -0.906 . . . . 73.450000000000003 109.42 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.5 mm-40 -61.63 -42.68 99.23 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.185 -0.916 . . . . 71.219999999999999 111.212 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -50.9 -52.2 44.29 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.177 0.923 . . . . 54.119999999999997 111.246 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.46 HD11 ' HE3' ' A' ' 17' ' ' LYS . 54.7 mt -59.44 -36.35 75.76 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 124.025 0.828 . . . . 75.239999999999995 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 95.8 mttt -70.54 -29.74 66.29 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.48 -0.782 . . . . 73.409999999999997 111.816 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 112' ' ' GLU . 21.3 mm -77.28 -34.23 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 N-CA-C 109.374 -0.602 . . . . 72.219999999999999 109.374 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.6 t -62.46 -43.08 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.93 0.492 . . . . 70.409999999999997 110.62 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 34.0 ptt180 -64.82 -25.51 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.365 0.415 . . . . 70.239999999999995 111.157 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 51.6 mm-40 -72.68 -41.31 65.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 122.842 0.457 . . . . 73.329999999999998 110.022 174.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 5' ' ' ILE . 30.7 m-85 -60.78 -43.73 97.7 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.231 0.613 . . . . 74.510000000000005 111.245 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.422 ' SD ' ' HB ' ' A' ' 22' ' ' VAL . 77.0 mtm -69.46 -25.06 63.9 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.611 0.764 . . . . 74.230000000000004 111.83 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.04 -40.71 68.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.057 0.543 . . . . 63.219999999999999 110.743 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.7 mttm -66.23 -52.12 50.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.724 0.81 . . . . 73.239999999999995 110.206 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.45 -34.12 75.4 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.487 -1.233 . . . . 75.230000000000004 110.856 -176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.75 94.3 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 115.253 -0.885 . . . . 54.140000000000001 112.894 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.8 m -73.41 -34.8 65.68 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.782 0.433 . . . . 64.040000000000006 111.244 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.37 -15.55 59.32 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.982 0.513 . . . . 63.219999999999999 111.996 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.69 -59.03 4.72 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.047 0.539 . . . . 72.310000000000002 110.852 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -89.67 57.56 3.96 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.559 0.695 . . . . 41.219999999999999 109.316 171.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.65 89.66 0.15 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.232 -0.895 . . . . 75.219999999999999 110.14 171.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -57.41 -47.67 81.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.105 0.962 . . . . 74.409999999999997 110.127 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -83.81 128.64 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.152 -1.055 . . . . 63.32 108.152 172.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -69.74 116.29 9.96 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.088 0.555 . . . . 73.209999999999994 110.637 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 124.427 1.091 . . . . 64.040000000000006 110.129 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 109.828 -0.434 . . . . 74.299999999999997 109.828 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -114.79 149.87 36.31 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.602 0.761 . . . . 71.420000000000002 109.675 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HB ' ' HG3' ' A' ' 53' ' ' LYS . 79.6 mt -110.6 119.08 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.762 -0.829 . . . . 61.409999999999997 108.762 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' HG22 ' A' ' 78' ' ' VAL . 58.4 mt -105.06 142.13 35.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.162 -1.051 . . . . 73.209999999999994 108.162 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 120' ' ' PHE . 22.3 mm -114.12 102.66 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 106.946 -1.502 . . . . 43.439999999999998 106.946 172.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.649 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.37 127.93 37.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.462 -1.681 . . . . 71.019999999999996 106.462 -176.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.69 127.76 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.957 0.503 . . . . 42.43 109.689 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 58' ' ' SER . 25.2 t-20 -115.85 116.4 27.93 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.164 -1.05 . . . . 73.439999999999998 108.164 171.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -125.53 144.08 50.72 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.064 0.546 . . . . 71.209999999999994 109.746 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.19 -25.5 60.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.999 0.92 . . . . 71.239999999999995 110.6 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 14' ' ' LEU . 75.6 m-20 -106.48 128.64 54.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.929 0.891 . . . . 75.120000000000005 111.42 -169.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.17 -19.58 65.6 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.491 1.117 . . . . 70.230000000000004 112.045 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.46 -51.06 70.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.454 0.702 . . . . 64.25 109.869 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -64.36 -36.36 83.88 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.271 -0.422 . . . . 74.150000000000006 111.309 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 57' ' ' ILE . 55.0 mt -52.42 -59.58 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.161 0.584 . . . . 70.099999999999994 110.683 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.53 -32.22 69.59 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.533 -0.758 . . . . 72.409999999999997 112.398 -172.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.8 mtpt -74.84 -37.9 62.14 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.294 0.638 . . . . 72.310000000000002 112.063 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 117' ' ' VAL . 77.5 mt -62.87 -38.21 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.222 0.609 . . . . 61.240000000000002 110.264 173.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.6 mttt -53.78 -48.7 69.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.688 0.618 . . . . 64.129999999999995 111.048 175.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -64.66 -49.9 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.499 0.499 . . . . 62.43 110.612 -176.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -44.38 -51.12 8.85 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.623 1.169 . . . . 53.240000000000002 112.649 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.4 m -88.56 -21.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.023 0.749 . . . . 75.450000000000003 113.023 -169.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -63.66 -35.49 80.72 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.178 0.513 . . . . 71.420000000000002 109.942 170.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -69.87 -14.36 62.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.161 -0.927 . . . . 73.040000000000006 111.572 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 21.6 mm-40 -110.73 4.76 20.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.248 1.019 . . . . 74.239999999999995 111.804 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.57 40.43 98.68 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 114.551 0.58 . . . . 63.420000000000002 114.551 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.6 m-85 -99.98 131.83 45.71 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.93 0.892 . . . . 72.430000000000007 109.316 173.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.9 mp0 -77.7 105.91 9.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.319 1.047 . . . . 54.25 108.896 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.8 t -82.02 131.64 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.506 0.722 . . . . 75.209999999999994 111.737 -170.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 41' ' ' GLU . 96.8 mtt180 -126.36 156.03 41.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.333 1.053 . . . . 75.329999999999998 109.725 165.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.86 125.28 17.66 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.165 -1.05 . . . . 74.439999999999998 108.165 166.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 38' ' ' LEU . 60.8 t -104.2 115.23 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.958 0.903 . . . . 75.310000000000002 108.573 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -105.68 -8.94 17.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.347 0.659 . . . . 71.519999999999996 110.906 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.95 146.02 30.88 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.291 0.567 . . . . 73.310000000000002 111.769 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -58.1 -30.56 66.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.642 1.177 . . . . 61.409999999999997 112.758 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.08 -45.59 86.88 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.338 0.655 . . . . 74.129999999999995 110.908 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -69.18 -42.19 76.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.365 -0.834 . . . . 72.219999999999999 109.412 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HB2' HG11 ' A' ' 32' ' ' VAL . 5.7 tt -55.71 -50.4 70.42 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.138 1.375 . . . . 75.340000000000003 112.628 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.562 -0.744 . . . . 74.430000000000007 111.459 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 32.2 mmmt -69.78 -55.29 10.26 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.817 0.698 . . . . 75.239999999999995 110.444 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 10.6 pt-20 -68.79 -30.83 69.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.193 0.812 . . . . 75.530000000000001 113.193 -161.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.508 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -68.98 -38.0 79.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 75.230000000000004 111.444 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.79 -33.24 70.54 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.37 -0.377 . . . . 73.430000000000007 109.998 175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 14.8 mmmm -64.68 -37.01 86.11 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.833 -0.621 . . . . 52.229999999999997 110.583 176.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD12 ' SD ' ' A' ' 42' ' ' MET . 82.4 mt -57.92 -37.12 73.49 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.471 0.708 . . . . 65.439999999999998 112.085 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.35 67.08 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.272 -0.876 . . . . 74.329999999999998 111.448 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.67 -27.56 15.8 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.95 0.9 . . . . 61.340000000000003 110.994 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 13.5 mm-40 -68.36 -39.39 81.84 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.845 0.858 . . . . 62.219999999999999 109.795 178.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 72.11 -67.47 0.26 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.567 1.547 . . . . 75.5 114.489 168.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -61.97 175.98 0.62 Allowed 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 124.054 0.942 . . . . 74.140000000000001 112.376 -168.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -74.7 14.34 0.5 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.354 1.242 . . . . 74.439999999999998 114.354 -162.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.13 123.55 9.66 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.558 0.743 . . . . 73.120000000000005 112.147 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HG3' ' HB ' ' A' ' 3' ' ' ILE . 1.5 mppt? -81.3 103.45 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.16 -1.052 . . . . 71.239999999999995 108.16 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 28' ' ' GLN . 21.3 mm -101.17 112.33 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.527 -1.286 . . . . 74.420000000000002 107.527 -176.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -93.17 126.7 38.41 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.244 -1.021 . . . . 75.5 108.244 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.649 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.9 mm -110.75 112.27 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 108.997 -0.742 . . . . 72.209999999999994 108.997 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 HG23 ' A' ' 15' ' ' ILE . 59.7 mt -92.42 127.59 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.236 -1.024 . . . . 71.230000000000004 108.236 169.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.8 t -135.86 116.5 13.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.614 -1.254 . . . . 60.329999999999998 107.614 173.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.16 -20.44 62.29 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.652 0.781 . . . . 71.439999999999998 110.898 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.26 134.89 49.68 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.978 0.911 . . . . 73.319999999999993 110.518 -174.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 60.9 mttp -78.46 -25.54 45.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.301 0.641 . . . . 74.349999999999994 112.25 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 34.2 tt0 -65.75 -46.23 79.61 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.329 -0.619 . . . . 74.25 109.329 177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.06 -41.96 84.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.491 0.716 . . . . 73.299999999999997 110.728 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 80' ' ' LEU . 6.6 tt -58.63 -38.7 78.64 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.954 0.502 . . . . 74.040000000000006 111.316 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 58.7 mtpt -66.49 -48.87 68.46 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.097 0.559 . . . . 75.439999999999998 111.028 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 10.8 mm-40 -54.81 -44.56 73.91 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.135 0.897 . . . . 72.310000000000002 109.968 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.591 ' HG2' HD21 ' A' ' 6' ' ' LEU . 48.0 tpp -61.22 -47.57 85.48 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.637 -1.62 . . . . 61.229999999999997 111.685 -177.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' ILE . 97.3 mt -66.21 -36.16 82.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.319 0.648 . . . . 73.219999999999999 111.238 -177.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 42.2 mt-10 -67.26 -34.14 76.81 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.795 -0.639 . . . . 74.430000000000007 110.387 176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.71 -37.87 79.83 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.711 0.404 . . . . 63.049999999999997 110.819 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.605 HD13 HG21 ' A' ' 78' ' ' VAL . 98.7 mt -65.32 -32.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.425 0.69 . . . . 62.420000000000002 110.009 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -67.4 -23.21 65.54 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.66 0.784 . . . . 75.409999999999997 111.468 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.4 mmmm -83.8 -30.91 26.19 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.466 0.706 . . . . 72.120000000000005 111.235 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 mt -94.06 -60.67 1.69 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.385 0.674 . . . . 65.439999999999998 110.569 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.14 84.98 1.72 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.548 -0.751 . . . . 54.210000000000001 111.575 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -131.44 152.75 50.4 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.655 0.782 . . . . 70.120000000000005 110.927 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -76.26 94.07 3.5 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.873 -0.788 . . . . 75.450000000000003 108.873 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 71' ' ' ILE . 85.2 t -102.43 126.86 56.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 C-N-CA 123.646 0.779 . . . . 64.200000000000003 110.995 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.42 114.58 28.97 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.24 -1.392 . . . . 72.010000000000005 107.24 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 64' ' ' LEU . 37.8 tp -102.1 124.33 47.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.161 0.584 . . . . 74.129999999999995 111.377 -176.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.8 tp -106.35 122.03 45.42 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.729 -0.841 . . . . 74.230000000000004 108.729 168.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 90' ' ' LEU . 86.7 mt -106.94 112.78 25.89 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.073 0.949 . . . . 73.340000000000003 109.075 172.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -109.28 117.83 35.1 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.219 -1.4 . . . . 55.109999999999999 107.219 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 90' ' ' LEU . 23.0 t70 -154.61 153.74 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.374 -0.602 . . . . 73.349999999999994 109.374 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.4 -19.98 25.86 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.33 0.652 . . . . 65.120000000000005 111.278 -172.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -109.1 85.44 2.1 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.93 . . . . 74.230000000000004 108.772 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 27.1 mt-10 -81.69 -12.02 58.82 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.638 1.347 . . . . 65.310000000000002 114.638 -168.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -71.68 -43.38 66.1 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 108.932 -0.766 . . . . 73.219999999999999 108.932 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.37 -39.08 74.8 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.879 -1.055 . . . . 75.349999999999994 109.545 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -63.48 -37.18 86.3 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.117 -0.947 . . . . 51.439999999999998 112.055 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 7.3 tt0 -72.18 -37.15 69.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.671 0.388 . . . . 65.099999999999994 111.254 -176.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HA ' ' HE ' ' A' ' 95' ' ' ARG . 16.8 mm-40 -64.22 -31.93 73.32 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 75.230000000000004 111.563 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -79.52 -36.89 37.79 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.133 0.973 . . . . 72.109999999999999 110.824 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 22.8 ttpp -61.92 -55.71 26.8 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.936 0.895 . . . . 75.519999999999996 111.489 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 43.6 ptt85 -57.34 -24.12 53.19 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 124.405 1.066 . . . . 74.299999999999997 112.703 -170.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.4 -51.37 37.21 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.298 1.039 . . . . 73.099999999999994 110.788 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.0 mt -67.23 -39.06 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.798 1.239 . . . . 55.439999999999998 110.752 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.24 -29.72 67.71 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.132 -1.395 . . . . 72.239999999999995 110.942 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -74.14 -19.44 60.57 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.437 0.695 . . . . 73.120000000000005 110.917 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -86.26 0.3 54.12 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.81 0.844 . . . . 61.32 111.983 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.67 54.47 2.93 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.842 0.135 . . . . 70.200000000000003 113.189 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -123.11 142.82 50.47 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.53 -0.915 . . . . 73.409999999999997 108.53 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.96 92.08 4.9 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.734 -0.839 . . . . 75.120000000000005 108.734 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 20.2 t -106.18 131.05 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.466 0.706 . . . . 74.230000000000004 110.165 -174.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -126.76 148.47 49.9 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.979 0.912 . . . . 75.230000000000004 110.001 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 10.0 mtpm? -112.35 148.93 33.22 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.716 0.806 . . . . 74.25 110.555 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.99 145.63 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 123.183 0.593 . . . . 74.219999999999999 111.343 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 p -106.76 -35.84 6.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.948 0.899 . . . . 72.219999999999999 110.568 170.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.79 142.08 35.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.402 0.681 . . . . 71.400000000000006 110.585 -168.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -70.9 -41.11 71.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.273 0.629 . . . . 71.430000000000007 111.565 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 66.3 mm-40 -64.01 -49.33 72.86 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.792 0.437 . . . . 73.329999999999998 110.224 176.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.8 tp10 -64.63 -34.22 77.78 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.988 0.805 . . . . 74.340000000000003 111.704 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.06 -48.37 78.72 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.984 0.514 . . . . 75.099999999999994 110.562 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 17' ' ' LYS . 64.6 mt -60.92 -37.44 82.3 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.172 0.92 . . . . 51.219999999999999 110.759 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 33.0 mmtp -64.05 -42.09 97.15 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.445 0.698 . . . . 70.239999999999995 110.858 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.1 mm -70.17 -30.1 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.676 0.61 . . . . 73.530000000000001 111.111 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.0 t -63.95 -43.1 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.677 -0.49 . . . . 71.299999999999997 109.677 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -65.36 -31.34 72.4 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.637 0.775 . . . . 71.5 111.223 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 35.0 mm-40 -66.59 -47.91 71.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.22 0.608 . . . . 73.420000000000002 110.165 174.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 5' ' ' ILE . 20.5 m-30 -61.42 -38.56 87.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.371 0.668 . . . . 71.519999999999996 111.929 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.647 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.8 mtm -68.01 -33.05 73.88 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.244 0.618 . . . . 75.219999999999999 111.775 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -51.06 60.52 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.533 0.733 . . . . 64.430000000000007 109.755 175.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 57.4 mttm -60.48 -48.21 82.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.192 -0.913 . . . . 60.340000000000003 109.933 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.3 92.8 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 114.653 -1.158 . . . . 44.409999999999997 110.851 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.94 -23.0 72.58 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.812 0.695 . . . . 53.439999999999998 113.078 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.7 m -80.69 -33.61 35.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.131 0.572 . . . . 71.340000000000003 110.141 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 75.7 mt -76.98 -16.7 59.25 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.565 0.746 . . . . 75.299999999999997 110.337 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -74.47 -7.05 51.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.83 1.252 . . . . 73.420000000000002 112.75 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -71.46 80.79 0.78 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.917 0.487 . . . . 62.5 110.614 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 167.84 -40.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.036 2.134 . . . . 74.400000000000006 107.716 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.0 127.93 33.74 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.901 -1.045 . . . . 64.530000000000001 109.331 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -82.86 104.32 12.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.613 0.765 . . . . 73.010000000000005 110.064 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -116.41 144.18 44.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.96 1.304 . . . . 75.530000000000001 108.235 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 C--O 1.25 1.106 0 N-CA-C 108.603 -0.888 . . . . 63.200000000000003 108.603 173.809 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.396 0.141 . . . . 74.450000000000003 111.254 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.634 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 15.1 ptmt -55.65 148.57 15.83 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.321 1.23 . . . . 73.219999999999999 114.321 -165.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.513 HG12 ' HB3' ' A' ' 77' ' ' LYS . 68.2 mt -94.77 122.2 46.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 113.883 -1.508 . . . . 73.420000000000002 109.473 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.525 HD21 ' HE2' ' A' ' 2' ' ' LYS . 65.0 mt -103.75 145.73 29.66 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.981 -0.748 . . . . 52.340000000000003 108.981 171.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 120' ' ' PHE . 31.1 mm -105.26 103.71 15.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 106.331 -1.729 . . . . 55.539999999999999 106.331 168.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -91.72 118.04 30.3 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.622 -1.622 . . . . 74.319999999999993 106.622 -174.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 18' ' ' ILE . 69.6 mt -127.68 122.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.408 -0.59 . . . . 72.519999999999996 109.408 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' O ' ' A' ' 58' ' ' SER . 3.6 t30 -114.59 112.48 22.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 107.199 -1.408 . . . . 71.239999999999995 107.199 169.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -126.12 144.29 50.8 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.992 -0.744 . . . . 71.219999999999999 108.992 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -80.45 -24.56 39.46 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.658 0.742 . . . . 72.540000000000006 109.032 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.29 115.65 19.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.796 -1.093 . . . . 52.030000000000001 111.366 -171.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.04 -37.62 77.41 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.911 1.285 . . . . 51.32 111.63 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.83 -45.1 95.29 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.164 -0.926 . . . . 64.420000000000002 110.738 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.4 -32.92 74.8 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 119.174 -0.441 . . . . 75.129999999999995 111.824 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 70.5 mt -54.22 -66.51 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 123.98 0.8 . . . . 74.209999999999994 109.608 175.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -64.02 -34.21 77.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.887 0.875 . . . . 72.109999999999999 112.844 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.2 mtpt -66.78 -50.63 62.05 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.228 0.611 . . . . 72.329999999999998 110.906 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 7' ' ' ILE . 94.8 mt -62.43 -35.78 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.598 0.759 . . . . 64.409999999999997 110.55 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.2 mtpt -54.66 -46.29 73.97 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.127 0.571 . . . . 72.239999999999995 111.397 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.76 -41.9 51.88 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.825 0.45 . . . . 74.329999999999998 110.736 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -46.8 -53.97 10.84 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.453 1.096 . . . . 63.420000000000002 111.98 174.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.519 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.5 m -84.94 -24.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 114.95 -1.023 . . . . 63.32 111.759 -171.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.1 -41.17 87.49 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.685 0.794 . . . . 75.120000000000005 110.042 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -68.51 -28.98 67.47 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.977 -1.01 . . . . 74.239999999999995 111.22 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.33 1.32 55.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.637 0.775 . . . . 64.349999999999994 112.535 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.45 17.43 71.2 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 114.789 0.676 . . . . 73.040000000000006 114.789 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 18.6 m-85 -99.27 97.69 8.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 108.193 -1.04 . . . . 61.140000000000001 108.193 176.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.67 119.92 9.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.901 0.881 . . . . 71.239999999999995 110.33 -178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.612 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.4 t -75.65 131.81 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.107 0.963 . . . . 74.510000000000005 110.497 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -128.75 130.04 46.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 106.967 -1.494 . . . . 75.150000000000006 106.967 166.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -122.67 137.01 55.03 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.804 -0.813 . . . . 73.0 108.804 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 38' ' ' LEU . 75.2 t -127.28 118.98 51.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 124.238 1.015 . . . . 74.120000000000005 108.653 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -120.12 7.59 10.84 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.617 0.767 . . . . 73.420000000000002 110.717 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 23.9 t70 -146.06 141.48 27.65 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.03 0.532 . . . . 72.430000000000007 111.055 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 17.9 m -56.35 -42.42 77.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.372 1.069 . . . . 73.120000000000005 113.104 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.3 m-20 -61.86 -41.78 98.26 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 110.339 -0.245 . . . . 72.25 110.339 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 45.5 mt-10 -61.39 -39.33 90.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.268 0.627 . . . . 72.140000000000001 110.635 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' HG11 ' A' ' 32' ' ' VAL . 7.8 tt -57.99 -52.15 66.7 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.218 0.949 . . . . 64.299999999999997 111.442 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.9 mtpp -69.84 -36.59 75.69 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.837 -1.074 . . . . 74.430000000000007 110.019 -174.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.1 mmtp -62.05 -44.17 97.27 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.3 0.64 . . . . 63.43 110.713 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.2 -48.74 80.13 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.153 0.981 . . . . 73.150000000000006 110.373 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmt -71.64 -22.52 61.68 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.516 -0.766 . . . . 72.049999999999997 112.37 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 mmmm -66.83 -43.32 84.07 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.645 -0.502 . . . . 74.530000000000001 109.645 170.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 29.8 mmmt -71.43 -33.69 69.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.071 0.548 . . . . 55.420000000000002 111.014 -178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.34 -40.01 81.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.396 0.678 . . . . 64.219999999999999 109.625 174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.24 77.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.475 0.71 . . . . 64.400000000000006 111.084 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.93 -35.04 66.93 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.699 0.8 . . . . 74.409999999999997 110.939 175.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.81 104.3 2.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.407 0.683 . . . . 62.109999999999999 110.75 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 54.74 3.1 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 122.234 1.016 . . . . 74.019999999999996 110.143 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -148.6 162.9 38.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.607 -1.179 . . . . 61.399999999999999 109.769 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.634 ' HA ' ' HB3' ' A' ' 2' ' ' LYS . 42.8 p90 -101.6 30.33 4.36 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.596 1.158 . . . . 73.099999999999994 111.779 177.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.14 132.43 53.91 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 118.065 0.393 . . . . 71.019999999999996 110.335 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -76.09 116.22 16.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.052 0.453 . . . . 74.329999999999998 110.518 -175.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -124.93 117.67 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.207 -0.906 . . . . 63.299999999999997 108.713 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -90.45 127.52 36.24 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.647 -1.242 . . . . 63.240000000000002 107.647 169.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.622 ' HB ' HD22 ' A' ' 6' ' ' LEU . 30.4 mm -104.48 112.48 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.014 -0.735 . . . . 63.030000000000001 109.014 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 15' ' ' ILE . 68.8 mt -92.28 130.69 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.054 -1.091 . . . . 73.120000000000005 108.054 168.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 38.1 t -143.79 130.61 20.36 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.05 -1.463 . . . . 61.009999999999998 107.05 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -93.66 -5.78 47.86 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.961 0.504 . . . . 74.329999999999998 110.536 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -110.16 115.66 30.14 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.02 -1.104 . . . . 65.239999999999995 108.02 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -72.07 -17.83 61.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.293 0.637 . . . . 62.409999999999997 112.073 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.87 -42.19 70.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.344 0.657 . . . . 71.230000000000004 109.621 171.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.52 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.93 -0.577 . . . . 74.150000000000006 110.091 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 93' ' ' PHE . 9.5 tt -60.9 -43.94 97.83 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.504 -0.317 . . . . 54.140000000000001 110.642 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -57.02 -50.09 73.79 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.345 0.658 . . . . 64.099999999999994 111.409 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -51.08 -51.09 56.71 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.99 0.916 . . . . 62.43 111.22 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 6' ' ' LEU . 46.7 tpp -58.52 -43.14 89.06 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.248 -1.342 . . . . 71.450000000000003 111.195 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.443 HD23 HD12 ' A' ' 71' ' ' ILE . 81.0 mt -69.39 -38.48 78.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.506 0.722 . . . . 44.520000000000003 112.215 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -57.81 -45.76 85.64 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.566 0.541 . . . . 72.019999999999996 110.154 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.62 -40.94 84.66 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.881 -1.054 . . . . 72.329999999999998 111.574 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.443 HD12 HD23 ' A' ' 68' ' ' LEU . 37.4 mt -58.84 -42.39 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 124.533 1.133 . . . . 62.439999999999998 110.72 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.4 t -64.89 -41.44 95.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.885 0.741 . . . . 51.43 111.03 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -76.03 -35.25 59.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.083 0.553 . . . . 71.310000000000002 111.346 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.55 -15.63 59.14 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.61 0.764 . . . . 64.010000000000005 110.995 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.74 39.46 85.99 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 123.615 0.626 . . . . 75.219999999999999 113.747 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HB2' HG23 ' A' ' 71' ' ' ILE . 22.0 m-30 -81.97 138.44 34.93 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.481 0.312 . . . . 63.409999999999997 111.452 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.513 ' HB3' HG12 ' A' ' 3' ' ' ILE . 6.7 tmtm? -84.59 92.78 8.22 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 106.947 -1.501 . . . . 73.230000000000004 106.947 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 4' ' ' LEU . 90.6 t -114.48 133.26 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.061 0.544 . . . . 70.510000000000005 111.686 -168.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -99.74 151.47 21.2 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.81 -1.181 . . . . 75.010000000000005 107.81 171.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 64' ' ' LEU . 63.6 tp -132.08 132.67 43.54 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.261 0.482 . . . . 63.409999999999997 111.789 -174.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 116' ' ' ILE . 45.1 tp -123.26 114.09 19.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.423 1.089 . . . . 65.409999999999997 108.699 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.4 mt -100.81 136.24 40.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.759 0.823 . . . . 75.310000000000002 109.137 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -141.63 115.51 9.19 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.042 0.537 . . . . 61.119999999999997 109.817 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 43.7 m-20 -134.63 149.22 50.53 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.082 0.953 . . . . 72.019999999999996 108.452 172.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.84 -32.32 71.93 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.27 0.628 . . . . 74.310000000000002 109.822 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -90.4 96.53 10.7 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.434 -0.95 . . . . 71.510000000000005 108.434 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 31.3 mt-10 -74.9 -14.18 60.63 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.356 -0.838 . . . . 72.0 112.3 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -68.16 -55.61 11.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.531 0.732 . . . . 73.040000000000006 110.992 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.99 -34.12 75.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.832 0.453 . . . . 72.209999999999994 110.562 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 17.2 tp -61.56 -42.98 99.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.414 1.086 . . . . 72.219999999999999 110.706 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 19.5 tp10 -64.76 -54.29 33.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.268 0.627 . . . . 63.450000000000003 110.265 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.32 -58.25 6.08 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.318 1.011 . . . . 70.209999999999994 111.749 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' A' ' 64' ' ' LEU . 40.8 t80 -61.68 -33.36 73.84 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.093 0.957 . . . . 72.010000000000005 111.73 -175.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -61.29 -47.97 83.51 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.347 1.059 . . . . 64.310000000000002 109.759 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 61.9 mtp85 -61.21 -33.81 74.08 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.679 0.792 . . . . 74.439999999999998 112.575 -173.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 5.0 mptp? -63.53 -52.15 62.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.946 0.499 . . . . 74.040000000000006 109.762 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -73.06 -30.32 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 114.769 -1.105 . . . . 73.109999999999999 111.068 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.52 -38.73 90.51 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 108.708 -0.849 . . . . 62.450000000000003 108.708 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 t -73.31 -23.47 60.26 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.422 -0.808 . . . . 74.430000000000007 111.208 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 92.3 mt-30 -73.21 -10.71 60.06 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.378 0.671 . . . . 71.329999999999998 111.516 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.99 55.25 2.29 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.419 -0.672 . . . . 74.430000000000007 111.419 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -125.93 148.66 49.17 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.8 0.84 . . . . 72.230000000000004 110.474 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -75.2 93.22 2.79 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.494 -1.299 . . . . 74.450000000000003 107.494 167.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.61 118.34 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.38 -0.6 . . . . 75.099999999999994 109.38 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.413 HH11 HD12 ' A' ' 116' ' ' ILE . 23.5 mmt85 -111.03 132.64 54.05 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.786 -1.19 . . . . 75.140000000000001 107.786 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HE2' ' HG ' ' A' ' 90' ' ' LEU . 14.3 ptmm? -111.98 147.31 36.2 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.529 -0.545 . . . . 74.5 109.529 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -155.51 159.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 122.792 0.437 . . . . 73.120000000000005 110.735 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -141.72 43.92 1.72 Allowed 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 107.5 -1.296 . . . . 72.420000000000002 107.5 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.48 133.92 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.361 -1.291 . . . . 52.0 109.603 -174.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.16 -47.04 47.26 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.132 0.789 . . . . 73.540000000000006 113.132 -170.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.23 -33.79 63.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.666 0.387 . . . . 64.230000000000004 110.348 -175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 23.2 tp10 -64.71 -40.47 95.41 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.674 0.609 . . . . 75.439999999999998 109.64 173.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -48.36 82.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.573 0.546 . . . . 55.200000000000003 111.755 177.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.484 HD11 ' HE2' ' A' ' 17' ' ' LYS . 93.5 mt -57.72 -38.33 75.11 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.421 0.688 . . . . 61.219999999999999 110.426 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 71.2 tttt -62.69 -46.2 89.27 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.995 -1.002 . . . . 74.140000000000001 110.691 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.584 HG21 HD13 ' A' ' 81' ' ' LEU . 46.3 mm -58.16 -42.36 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.258 0.623 . . . . 74.030000000000001 110.942 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 113' ' ' ALA . 25.2 t -65.81 -41.11 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 115.441 -0.799 . . . . 65.510000000000005 110.482 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.7 mtm-85 -67.62 -30.05 69.52 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.018 0.527 . . . . 65.219999999999999 111.403 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 47.7 mt-10 -66.7 -46.12 76.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.216 0.606 . . . . 64.129999999999995 109.482 173.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 5' ' ' ILE . 18.6 m-30 -60.24 -45.52 92.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.201 1.0 . . . . 74.230000000000004 112.634 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.519 ' SD ' HG12 ' A' ' 22' ' ' VAL . 78.0 mtm -67.29 -29.03 68.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.404 0.682 . . . . 63.140000000000001 111.418 177.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.56 -38.32 70.98 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.688 0.795 . . . . 63.030000000000001 110.979 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 64.0 mttm -66.23 -49.13 68.3 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.023 0.929 . . . . 72.310000000000002 110.055 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 128' ' ' GLU . . . -62.76 -38.41 90.45 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 114.866 -1.061 . . . . 74.150000000000006 109.843 175.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.43 -35.39 91.89 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.391 -0.822 . . . . 53.119999999999997 113.369 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.3 m -66.69 -31.77 72.66 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.941 0.497 . . . . 65.420000000000002 110.243 177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.55 -37.65 27.41 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.773 0.829 . . . . 73.219999999999999 110.866 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 57.2 mm-40 -68.63 -48.66 63.47 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.207 0.603 . . . . 74.409999999999997 111.161 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -79.61 167.11 21.15 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.342 -0.845 . . . . 62.310000000000002 110.583 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -58.77 118.2 5.44 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.289 0.993 . . . . 63.509999999999998 110.46 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -67.56 -35.7 79.55 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.186 -0.915 . . . . 75.239999999999995 109.498 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -76.93 89.73 3.51 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.56 -1.2 . . . . 70.049999999999997 109.414 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -92.01 28.82 1.74 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.694 0.798 . . . . 75.510000000000005 110.818 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 124.095 0.958 . . . . 75.409999999999997 109.64 178.254 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 110.126 -0.324 . . . . 74.430000000000007 110.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -159.85 161.3 34.44 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.238 1.015 . . . . 65.219999999999999 109.326 171.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.74 124.46 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.419 0.688 . . . . 73.230000000000004 109.939 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.9 mt -117.01 110.29 18.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.852 0.861 . . . . 74.010000000000005 108.924 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.74 107.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.152 -1.055 . . . . 74.420000000000002 108.152 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -94.02 125.51 38.69 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.774 -1.565 . . . . 61.109999999999999 106.774 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.44 129.12 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.029 0.532 . . . . 70.129999999999995 110.093 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -120.85 115.7 23.76 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 107.414 -1.328 . . . . 74.209999999999994 107.414 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 t -125.45 144.24 50.62 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 108.789 -0.819 . . . . 73.510000000000005 108.789 170.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 84' ' ' ASP . 5.6 m120 -73.13 -27.72 61.84 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.155 -0.683 . . . . 71.540000000000006 109.155 174.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -96.42 113.64 25.24 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 124.525 1.13 . . . . 52.549999999999997 110.16 -170.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.0 -20.42 63.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.504 0.722 . . . . 74.230000000000004 112.331 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -55.0 -49.57 71.19 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.965 0.906 . . . . 64.219999999999999 110.635 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 110' ' ' ASP . 3.5 mm? -67.7 -31.13 70.88 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.456 -0.793 . . . . 63.549999999999997 112.016 179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 58.6 mt -55.18 -58.43 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 118.21 0.459 . . . . 73.140000000000001 110.272 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -67.13 -35.66 80.2 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.485 0.55 . . . . 73.040000000000006 112.485 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.609 ' HE3' HD11 ' A' ' 114' ' ' LEU . 27.7 mtpp -71.3 -39.55 71.38 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.23 0.456 . . . . 74.400000000000006 112.23 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.73 -36.0 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.5 0.72 . . . . 53.119999999999997 109.909 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 96.9 mttt -55.28 -37.39 67.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.976 0.51 . . . . 74.120000000000005 111.54 175.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -70.7 -48.81 52.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.483 0.713 . . . . 71.219999999999999 111.024 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -52.07 -38.72 58.09 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.828 0.851 . . . . 73.400000000000006 112.462 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.721 HG12 ' SD ' ' A' ' 121' ' ' MET . 11.2 m -100.07 -9.19 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 65.310000000000002 112.317 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.46 -46.34 89.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.133 0.973 . . . . 65.239999999999995 110.034 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -83.49 3.81 30.63 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.516 -1.22 . . . . 72.019999999999996 111.406 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 29.9 mm-40 -113.52 -2.24 13.92 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.046 0.938 . . . . 72.129999999999995 110.936 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 48.74 41.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 114.458 0.543 . . . . 71.510000000000005 114.458 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 43.5 m-85 -108.19 121.94 45.89 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.776 -0.824 . . . . 63.240000000000002 108.776 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -74.42 107.81 6.8 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.847 -0.797 . . . . 73.510000000000005 108.847 170.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG21 ' HG2' ' A' ' 19' ' ' LYS . 47.0 t -79.27 124.14 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 109.535 -0.543 . . . . 61.140000000000001 109.535 177.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 29.8 mmm180 -116.17 120.53 39.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.196 0.998 . . . . 73.209999999999994 109.122 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -98.12 118.98 35.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.47 0.708 . . . . 75.340000000000003 110.288 -174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.12 117.42 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.967 0.907 . . . . 73.230000000000004 109.449 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -131.11 5.58 4.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.98 0.912 . . . . 63.240000000000002 110.22 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.19 144.11 34.59 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.783 0.833 . . . . 71.430000000000007 109.909 -175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 19.1 m -69.47 -38.21 77.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.32 1.048 . . . . 70.340000000000003 113.132 -175.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.2 t70 -71.22 -34.09 70.5 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.799 0.44 . . . . 74.230000000000004 109.86 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 28.1 mm-40 -69.35 -33.21 72.75 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.636 0.585 . . . . 71.129999999999995 110.644 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' SER . 3.4 tt -58.78 -45.88 88.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.235 0.614 . . . . 64.140000000000001 110.404 171.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 10.2 mtmp? -65.61 -27.41 68.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.859 0.464 . . . . 74.349999999999994 111.551 178.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.58 -48.5 79.2 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.672 -0.492 . . . . 71.329999999999998 109.672 172.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 3.8 mm-40 -61.76 -51.74 67.1 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 124.359 1.037 . . . . 73.319999999999993 110.79 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 53.7 mmm -60.84 -29.02 69.25 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.871 0.732 . . . . 74.349999999999994 111.655 -173.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.3 -59.67 2.85 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.834 0.709 . . . . 63.229999999999997 110.194 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -63.56 -35.57 80.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.491 0.716 . . . . 72.120000000000005 112.617 -169.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.09 -38.55 83.27 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.609 0.764 . . . . 72.109999999999999 110.595 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.22 -33.56 26.08 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.689 -0.687 . . . . 60.130000000000003 112.275 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.63 -25.99 54.42 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.593 0.757 . . . . 72.129999999999995 110.672 -175.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -89.83 76.72 7.12 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 108.502 -0.925 . . . . 73.439999999999998 108.502 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.621 ' H ' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.35 96.19 0.48 Allowed 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.364 -0.834 . . . . 73.120000000000005 109.469 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 52' ' ' GLU . 51.8 t30 -168.94 150.75 4.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.999 -1.001 . . . . 74.099999999999994 108.528 -173.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -75.59 5.03 6.53 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.355 0.662 . . . . 72.319999999999993 112.417 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 36.0 tt0 -57.41 120.99 9.16 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.181 0.992 . . . . 64.319999999999993 110.726 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -83.58 112.83 20.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.963 -1.017 . . . . 73.239999999999995 109.576 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.33 150.87 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.134 0.973 . . . . 72.120000000000005 108.732 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 22' ' ' VAL . 9.0 tt -116.18 128.5 55.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.097 -1.075 . . . . 74.310000000000002 108.097 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.629 ' HB ' HD22 ' A' ' 6' ' ' LEU . 17.4 mm -115.95 123.24 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 N-CA-C 109.06 -0.719 . . . . 61.340000000000003 109.06 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.8 mt -107.16 132.49 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.983 -0.747 . . . . 74.409999999999997 108.983 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -131.03 119.94 22.73 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 107.288 -1.375 . . . . 63.119999999999997 107.288 172.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -70.37 -23.34 62.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.081 0.552 . . . . 63.119999999999997 110.808 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -102.47 116.12 31.96 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.437 -0.949 . . . . 72.120000000000005 108.437 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -78.18 -13.18 59.97 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 112.953 0.723 . . . . 73.349999999999994 112.953 -174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -68.0 -45.22 74.66 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.701 -0.852 . . . . 55.530000000000001 108.701 168.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.99 -36.63 84.18 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 115.823 -0.626 . . . . 75.530000000000001 110.639 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 80' ' ' LEU . 7.1 tt -57.12 -45.8 83.16 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.431 0.457 . . . . 73.510000000000005 110.464 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.71 -54.14 49.88 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.659 0.599 . . . . 62.310000000000002 111.06 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.78 -47.73 64.07 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 124.186 0.929 . . . . 65.430000000000007 110.492 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.602 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 43.8 ttm -62.42 -49.47 75.35 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.109 -1.405 . . . . 42.32 112.09 -176.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 71' ' ' ILE . 87.5 mt -67.58 -29.95 69.44 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.049 0.54 . . . . 72.120000000000005 111.868 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.92 -35.53 72.3 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.975 0.51 . . . . 71.430000000000007 110.035 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.72 -31.86 63.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.999 0.52 . . . . 74.420000000000002 111.04 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.651 HD12 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -72.04 -30.26 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 109.497 -0.557 . . . . 61.210000000000001 109.497 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.7 t -65.52 -29.1 69.69 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.294 0.638 . . . . 70.209999999999994 110.388 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.63 -21.02 41.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.794 0.838 . . . . 72.219999999999999 111.059 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -91.08 -22.28 20.81 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.137 0.975 . . . . 74.25 111.37 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.25 26.13 71.47 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-O 119.284 -0.731 . . . . 41.240000000000002 114.874 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -81.11 148.19 29.73 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 117.729 0.764 . . . . 75.120000000000005 111.343 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -75.99 114.7 14.92 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.862 0.865 . . . . 74.549999999999997 110.349 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 4' ' ' LEU . 95.4 t -118.66 135.02 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.356 0.598 . . . . 72.219999999999999 111.984 -175.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -112.07 117.61 33.11 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 107.091 -1.448 . . . . 72.319999999999993 107.091 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 64' ' ' LEU . 56.8 tp -104.34 121.84 44.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.744 0.418 . . . . 63.140000000000001 110.551 -174.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 tp -107.03 113.89 27.64 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.712 -0.848 . . . . 74.420000000000002 108.712 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 90' ' ' LEU . 90.9 mt -101.82 136.51 41.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.836 0.855 . . . . 42.020000000000003 109.294 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -138.38 106.67 5.78 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.697 0.799 . . . . 63.229999999999997 108.943 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.4 ' HA ' ' OD1' ' A' ' 10' ' ' ASN . 20.5 t70 -141.19 148.69 40.36 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.249 -0.887 . . . . 73.120000000000005 108.632 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.99 -41.07 99.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.327 0.651 . . . . 65.230000000000004 111.701 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.6 95.33 9.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.011 0.524 . . . . 70.140000000000001 110.216 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.51 -32.53 62.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.803 1.241 . . . . 73.049999999999997 113.26 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.42 -57.72 11.73 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.09 0.868 . . . . 71.200000000000003 110.96 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.4 -16.34 46.31 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.847 0.459 . . . . 64.310000000000002 111.452 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 26.3 tp -70.17 -38.22 75.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 54.520000000000003 110.258 174.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -77.19 -36.69 54.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.748 0.419 . . . . 74.430000000000007 110.522 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -53.52 -45.63 69.82 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.719 0.637 . . . . 62.350000000000001 111.062 170.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -74.25 -35.62 63.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.034 -0.985 . . . . 61.450000000000003 110.873 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 27.3 ttpp -61.21 -56.91 15.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.436 0.694 . . . . 63.509999999999998 111.148 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -60.78 -24.1 65.51 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.288 0.993 . . . . 75.420000000000002 112.995 -170.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -51.01 56.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.575 0.75 . . . . 72.329999999999998 110.845 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.75 -29.54 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 114.915 -1.039 . . . . 73.420000000000002 110.521 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -73.68 -30.87 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.846 -1.07 . . . . 70.540000000000006 109.743 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -74.25 -18.92 60.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.141 0.576 . . . . 72.340000000000003 110.677 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -75.03 -22.15 58.62 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.891 0.476 . . . . 65.120000000000005 110.382 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.35 47.53 1.05 Allowed Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.066 0.365 . . . . 71.349999999999994 112.657 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -126.27 138.23 53.59 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.137 0.975 . . . . 73.430000000000007 108.626 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.08 94.01 2.84 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.63 -0.878 . . . . 73.200000000000003 108.63 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 80' ' ' LEU . 22.8 t -102.96 117.68 48.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.119 -0.946 . . . . 74.420000000000002 109.121 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -110.0 147.27 33.83 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.648 0.779 . . . . 64.299999999999997 109.217 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.572 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 9.7 mtmp? -98.4 161.93 13.43 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.062 -0.517 . . . . 74.230000000000004 109.814 172.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -161.65 154.32 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 114.983 -1.008 . . . . 61.420000000000002 108.967 170.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.9 p -128.94 -25.26 2.81 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.115 0.966 . . . . 74.099999999999994 110.253 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.18 149.44 21.48 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.892 0.877 . . . . 71.540000000000006 111.63 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 14' ' ' LEU . 7.2 m-20 -64.26 -57.97 7.9 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.357 1.063 . . . . 74.510000000000005 112.655 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 38.4 mt-10 -67.14 -37.98 84.75 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.07 -0.514 . . . . 74.409999999999997 110.231 -174.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.81 -36.19 83.51 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 123.706 0.629 . . . . 70.430000000000007 111.212 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -57.32 -47.85 80.48 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.313 0.383 . . . . 72.439999999999998 110.512 175.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.609 HD11 ' HE3' ' A' ' 17' ' ' LYS . 45.4 mt -64.82 -35.21 80.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.003 0.815 . . . . 73.150000000000006 111.039 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 64.3 mttp -63.13 -48.06 80.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.747 0.819 . . . . 64.319999999999993 110.911 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -72.54 -28.3 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.148 0.579 . . . . 74.019999999999996 110.828 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.24 -46.04 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 109.594 -0.521 . . . . 61.049999999999997 109.594 170.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -68.22 -30.62 69.72 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.964 0.506 . . . . 63.299999999999997 111.252 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 51.7 mm-40 -65.55 -46.68 78.6 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 123.506 0.504 . . . . 64.099999999999994 110.042 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -62.28 -37.28 84.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.515 0.726 . . . . 72.340000000000003 112.298 176.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.721 ' SD ' HG12 ' A' ' 22' ' ' VAL . 74.8 mtm -73.4 -26.79 61.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.184 0.593 . . . . 72.540000000000006 111.522 176.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -69.71 -44.01 71.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.707 0.803 . . . . 75.230000000000004 110.153 173.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 60.2 mttm -67.45 -46.45 73.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.49 -0.777 . . . . 72.209999999999994 109.794 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.29 80.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.136 0.974 . . . . 63.200000000000003 110.695 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.31 -24.94 75.87 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.255 -0.884 . . . . 34.530000000000001 112.94 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.2 t -84.2 -30.09 26.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.563 0.745 . . . . 62.310000000000002 110.572 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 97.4 mt -79.24 -20.64 47.71 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.598 0.759 . . . . 61.409999999999997 110.711 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.53 -21.8 62.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.478 1.111 . . . . 70.099999999999994 111.996 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -40.71 110.82 0.17 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.291 1.436 . . . . 73.239999999999995 113.69 -170.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -74.73 -25.42 59.1 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.13 -0.693 . . . . 71.540000000000006 109.13 169.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -137.46 129.58 29.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 107.311 -1.366 . . . . 75.109999999999999 107.311 165.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -70.61 127.97 34.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.249 -0.649 . . . . 75.219999999999999 109.249 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -108.61 153.81 22.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.932 0.893 . . . . 74.420000000000002 110.334 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.9 m80 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.812 0.845 . . . . 70.319999999999993 108.954 174.096 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 72.230000000000004 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 45' ' ' LEU . 68.3 mttm -138.67 159.78 41.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.615 1.166 . . . . 62.299999999999997 108.847 174.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB1' ' A' ' 124' ' ' ALA . 47.2 mm -96.89 109.88 23.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.421 -1.326 . . . . 71.239999999999995 107.421 168.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HB2' HG22 ' A' ' 78' ' ' VAL . 71.4 mt -113.17 109.0 18.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.611 -0.885 . . . . 74.310000000000002 108.611 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.5 mm -88.49 102.24 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.781 -1.563 . . . . 74.140000000000001 106.781 173.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.34 130.14 35.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 106.464 -1.68 . . . . 73.239999999999995 106.464 -176.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 55' ' ' LEU . 70.3 mt -137.67 130.55 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 123.082 0.553 . . . . 61.210000000000001 109.521 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -114.7 109.22 17.88 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.682 -0.859 . . . . 73.129999999999995 108.682 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -129.05 125.78 38.02 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 108.042 -1.096 . . . . 71.530000000000001 108.042 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' HA ' ' HB2' ' A' ' 59' ' ' ASN . 10.4 t30 -77.97 -13.52 59.85 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.217 0.607 . . . . 51.109999999999999 110.406 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.433 HD22 HD23 ' A' ' 14' ' ' LEU . 50.8 t30 -93.77 119.95 33.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.786 . . . . 71.299999999999997 109.913 -176.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.65 -30.19 67.12 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.782 1.233 . . . . 63.109999999999999 112.451 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -57.0 -51.38 69.46 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.002 0.814 . . . . 74.519999999999996 110.018 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 11' ' ' ASN . 4.4 mm? -69.33 -31.84 70.54 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 118.7 -0.667 . . . . 74.010000000000005 112.207 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG23 HG21 ' A' ' 57' ' ' ILE . 61.1 mt -54.71 -55.21 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 118.183 0.447 . . . . 72.209999999999994 109.889 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.13 -31.26 61.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 115.78 -0.645 . . . . 74.349999999999994 112.337 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -65.1 -50.99 63.94 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.238 0.615 . . . . 74.129999999999995 110.721 176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.38 -40.47 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.956 0.903 . . . . 64.209999999999994 110.258 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' HG11 ' A' ' 29' ' ' VAL . 96.8 mttt -53.81 -41.9 67.8 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 123.515 0.51 . . . . 70.400000000000006 111.769 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -78.36 -42.13 31.35 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.329 0.652 . . . . 70.530000000000001 111.912 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 114' ' ' LEU . 19.5 mm-40 -48.94 -45.77 42.27 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.848 0.859 . . . . 64.439999999999998 111.176 171.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 55' ' ' LEU . 5.6 m -94.39 -14.2 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.455 -0.793 . . . . 54.049999999999997 112.088 -173.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.49 -42.29 98.55 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.723 0.809 . . . . 73.530000000000001 109.952 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.84 -21.88 66.01 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.02 -0.991 . . . . 64.25 111.064 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -100.92 10.11 41.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.778 0.831 . . . . 73.200000000000003 111.773 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.77 23.35 78.13 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 115.965 1.146 . . . . 61.530000000000001 115.965 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.34 109.15 20.08 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 117.976 0.888 . . . . 74.540000000000006 109.3 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.46 104.85 2.42 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.132 -0.692 . . . . 70.329999999999998 109.132 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.6 t -82.18 132.72 30.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.024 0.44 . . . . 70.219999999999999 110.865 -174.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB2' HD13 ' A' ' 56' ' ' ILE . 11.9 mmt85 -126.18 111.93 15.19 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.997 1.319 . . . . 75.140000000000001 107.794 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.22 134.43 51.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.567 0.747 . . . . 71.150000000000006 109.266 -175.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -132.86 128.46 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.155 0.982 . . . . 53.140000000000001 109.557 -169.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -134.91 19.35 3.49 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.865 0.866 . . . . 75.299999999999997 110.496 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -145.72 146.28 31.19 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.693 0.797 . . . . 53.020000000000003 110.069 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.9 p -62.14 -43.94 97.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.315 1.046 . . . . 71.510000000000005 113.426 -176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 34.9 m-20 -69.01 -32.89 72.75 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.038 0.135 . . . . 62.439999999999998 110.92 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.66 0.384 . . . . 74.019999999999996 110.911 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -42.37 90.04 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.942 0.897 . . . . 74.129999999999995 110.621 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 52.4 mtpt -65.96 -39.34 90.34 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.978 -1.01 . . . . 71.319999999999993 111.114 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 73.8 mmtt -63.09 -49.12 75.73 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.236 0.614 . . . . 73.129999999999995 111.259 -179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.8 mm-40 -70.29 -35.51 73.77 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.259 0.624 . . . . 64.299999999999997 110.608 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.458 ' HG3' HD13 ' A' ' 70' ' ' LEU . 9.2 mmt -64.54 -35.75 81.98 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.367 0.667 . . . . 65.120000000000005 111.254 174.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -62.02 -40.0 94.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 123.502 0.501 . . . . 71.099999999999994 110.516 174.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -70.34 -36.39 74.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.799 0.439 . . . . 75.430000000000007 110.981 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 78.5 mt -64.55 -39.6 94.06 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.109 0.563 . . . . 63.439999999999998 109.869 175.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.71 49.93 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.039 0.936 . . . . 45.329999999999998 112.252 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.82 -28.2 44.42 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.449 1.1 . . . . 61.340000000000003 111.619 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -125.03 60.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.874 -1.158 . . . . 63.329999999999998 107.874 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -82.0 72.47 9.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.832 0.825 . . . . 74.010000000000005 109.516 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -101.7 155.17 18.28 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.422 -1.325 . . . . 72.349999999999994 107.422 167.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.535 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 71.8 t80 -66.62 105.81 1.63 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.716 -0.846 . . . . 65.400000000000006 108.716 174.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.44 144.02 28.34 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.657 -0.701 . . . . 74.129999999999995 110.135 -164.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -102.62 99.15 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.953 0.882 . . . . 72.319999999999993 109.939 -175.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -112.5 141.04 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.479 1.111 . . . . 75.209999999999994 108.63 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 7' ' ' ILE . 9.3 tt -115.96 115.57 26.4 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 107.843 -1.169 . . . . 75.019999999999996 107.843 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.613 ' HB ' HD22 ' A' ' 6' ' ' LEU . 28.3 mm -97.33 120.57 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 108.728 -0.841 . . . . 75.239999999999995 108.728 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.481 HG21 HG23 ' A' ' 15' ' ' ILE . 75.1 mt -103.94 142.48 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 108.742 -0.836 . . . . 43.210000000000001 108.742 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.4 t -152.82 124.56 7.83 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.093 -1.077 . . . . 40.009999999999998 108.093 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 10' ' ' ASN . 33.8 p30 -82.29 -8.35 59.64 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.603 0.361 . . . . 72.129999999999995 110.536 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.25 116.25 31.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.517 1.127 . . . . 71.319999999999993 108.752 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -74.02 -21.64 59.89 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.638 0.607 . . . . 70.540000000000006 112.638 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 35.2 tt0 -65.96 -43.02 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 72.140000000000001 110.067 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.38 -33.63 74.59 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.041 -0.981 . . . . 65.439999999999998 110.696 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 80' ' ' LEU . 5.3 tt -61.89 -40.89 96.97 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.245 -0.434 . . . . 71.099999999999994 110.741 174.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 53.8 mtpt -65.36 -49.39 69.54 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 71.409999999999997 110.473 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -54.98 -44.46 74.47 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.073 0.858 . . . . 64.010000000000005 110.802 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.512 ' HG2' HD21 ' A' ' 6' ' ' LEU . 42.8 tpp -56.15 -51.59 67.44 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.935 1.294 . . . . 71.310000000000002 110.118 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 68.8 mt -65.42 -36.27 83.43 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.71 0.804 . . . . 71.340000000000003 111.94 -176.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.07 -39.58 94.38 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.281 0.632 . . . . 72.420000000000002 110.792 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.458 HD13 ' HG3' ' A' ' 42' ' ' MET . 60.9 mt -70.2 -36.41 74.58 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.853 0.861 . . . . 73.310000000000002 111.264 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.748 HD13 HG21 ' A' ' 78' ' ' VAL . 83.0 mt -62.6 -43.12 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.028 0.931 . . . . 72.409999999999997 110.786 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -62.1 -27.45 68.93 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.518 0.727 . . . . 71.519999999999996 111.746 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.18 -40.94 62.19 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.641 -0.709 . . . . 72.510000000000005 111.182 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.03 -34.49 22.31 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.842 0.857 . . . . 73.230000000000004 112.521 -171.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 83.7 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 123.457 0.551 . . . . 74.109999999999999 113.254 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -128.07 146.25 50.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.862 0.865 . . . . 75.040000000000006 110.449 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -76.15 95.68 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.297 0.639 . . . . 65.329999999999998 110.118 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.748 HG21 HD13 ' A' ' 71' ' ' ILE . 89.8 t -106.34 127.08 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 124.014 0.926 . . . . 62.439999999999998 110.832 -175.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 90.3 m-85 -114.89 113.27 23.96 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.109 -1.441 . . . . 74.109999999999999 107.109 175.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 64' ' ' LEU . 37.7 tp -101.85 134.98 44.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.317 0.579 . . . . 52.210000000000001 111.254 -172.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -119.64 113.17 20.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.155 -1.054 . . . . 73.420000000000002 108.155 170.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 97' ' ' ILE . 94.9 mt -95.59 116.88 29.46 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.015 -1.106 . . . . 75.540000000000006 108.015 171.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -103.25 121.88 43.62 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.479 -0.934 . . . . 54.509999999999998 108.479 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . 12.8 t70 -155.13 133.96 12.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.739 -1.208 . . . . 74.120000000000005 107.739 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -73.18 -18.64 61.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.251 0.62 . . . . 64.109999999999999 111.576 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.78 106.87 17.58 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.295 1.038 . . . . 74.219999999999999 108.466 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -22.16 66.17 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.372 0.878 . . . . 52.140000000000001 113.372 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -68.11 -60.49 2.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.642 0.377 . . . . 74.450000000000003 110.29 -173.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.12 -26.52 62.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.348 0.659 . . . . 74.319999999999993 110.654 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 84' ' ' ASP . 40.7 tp -60.87 -53.46 57.01 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.742 0.817 . . . . 74.400000000000006 111.031 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.89 -40.92 71.95 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.726 0.81 . . . . 75.329999999999998 111.053 -171.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 mt-10 -54.22 -44.39 71.63 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.562 0.745 . . . . 73.450000000000003 111.523 174.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -76.21 -35.23 59.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.297 0.639 . . . . 75.409999999999997 110.827 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.92 -51.14 69.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.154 1.382 . . . . 72.219999999999999 110.394 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.19 -29.36 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.981 0.912 . . . . 73.019999999999996 112.632 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 64.7 mttm -65.33 -48.56 72.63 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.252 0.621 . . . . 70.040000000000006 109.987 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.47 HD12 HD11 ' A' ' 82' ' ' LEU . 70.0 mt -72.53 -31.75 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 115.048 -0.978 . . . . 54.420000000000002 111.123 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.15 -30.46 69.6 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.053 -0.976 . . . . 74.140000000000001 109.828 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.9 t -79.43 -21.92 44.89 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.042 0.937 . . . . 73.409999999999997 111.279 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.04 -26.84 65.19 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.269 0.628 . . . . 75.120000000000005 110.865 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.49 37.08 1.5 Allowed Glycine 0 C--N 1.348 1.195 0 CA-C-N 116.134 -0.484 . . . . 72.140000000000001 112.154 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -116.32 137.44 52.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.415 0.686 . . . . 72.319999999999993 109.577 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.28 95.82 3.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.531 -0.914 . . . . 73.310000000000002 108.531 172.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.5 t -112.67 125.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.377 0.671 . . . . 74.439999999999998 109.842 -176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -105.91 156.42 18.38 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.411 0.684 . . . . 74.340000000000003 109.563 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -96.03 156.53 16.3 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.878 -1.056 . . . . 75.219999999999999 109.263 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -164.07 142.94 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.24 0.616 . . . . 74.310000000000002 110.723 170.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.3 p -111.72 -46.42 3.25 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.958 0.903 . . . . 71.099999999999994 110.105 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.35 149.82 31.59 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.306 0.642 . . . . 54.119999999999997 111.262 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.82 -38.35 62.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.44 0.696 . . . . 73.420000000000002 111.144 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.77 -39.07 80.4 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.06 0.457 . . . . 64.439999999999998 110.022 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.6 tt0 -67.47 -35.27 78.84 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.914 -1.039 . . . . 62.140000000000001 110.007 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.15 -52.54 63.99 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 123.997 0.811 . . . . 71.400000000000006 110.197 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.426 HD22 ' HG3' ' A' ' 21' ' ' GLU . 50.6 mt -59.83 -36.21 76.34 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 124.435 1.084 . . . . 74.010000000000005 110.961 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -78.31 -27.85 47.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.374 -0.83 . . . . 74.239999999999995 112.677 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -82.72 -28.47 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 N-CA-C 109.576 -0.528 . . . . 53.140000000000001 109.576 174.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.1 t -60.82 -49.92 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 109.489 -0.56 . . . . 73.450000000000003 109.489 171.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.92 -18.69 62.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.584 -0.735 . . . . 71.150000000000006 111.383 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -68.33 -46.64 69.66 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.389 -0.597 . . . . 64.319999999999993 109.389 169.073 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 79' ' ' PHE . 28.0 m-85 -63.31 -35.45 80.42 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.277 0.631 . . . . 71.140000000000001 112.149 175.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.536 ' SD ' HG12 ' A' ' 22' ' ' VAL . 57.2 mtm -71.34 -31.07 66.94 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.881 0.473 . . . . 74.310000000000002 111.542 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -64.7 -39.31 93.44 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.619 0.768 . . . . 75.430000000000007 110.086 173.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 62.1 mttm -66.6 -44.55 81.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.496 0.719 . . . . 74.049999999999997 110.029 176.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.551 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -67.91 -34.01 75.8 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.204 -1.362 . . . . 40.43 112.456 -175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.1 78.77 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 123.484 0.49 . . . . 73.420000000000002 113.549 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.1 m -65.82 -31.61 72.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.626 0.77 . . . . 72.120000000000005 110.822 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.2 mt -84.0 -34.29 24.37 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.749 -1.114 . . . . 63.100000000000001 111.184 -176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.535 ' HA ' ' HE2' ' A' ' 51' ' ' PHE . 54.8 mt-10 -59.25 -44.11 92.41 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.408 0.683 . . . . 62.530000000000001 110.712 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -71.68 101.92 2.66 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.765 -1.198 . . . . 73.409999999999997 107.765 169.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -66.38 84.08 0.1 Allowed 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.648 0.779 . . . . 73.409999999999997 111.7 -170.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -174.82 113.03 0.15 Allowed 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.048 1.339 . . . . 73.409999999999997 107.592 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.93 99.18 0.47 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 107.47 -1.307 . . . . 70.439999999999998 107.47 168.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -61.94 -65.37 0.7 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.028 0.931 . . . . 65.340000000000003 111.802 -168.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 108.256 -1.016 . . . . 62.210000000000001 108.256 176.757 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.033 -0.728 . . . . 52.450000000000003 109.033 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -161.78 170.86 18.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.508 0.723 . . . . 64.209999999999994 110.057 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.483 HG21 ' HB1' ' A' ' 124' ' ' ALA . 65.1 mt -110.19 135.42 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 64.540000000000006 109.304 -177.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 76.8 mt -121.29 140.92 51.43 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.812 -0.81 . . . . 75.230000000000004 108.812 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mm -123.02 109.9 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 107.891 -1.151 . . . . 60.109999999999999 107.891 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' HB ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -97.07 128.19 43.76 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.287 -1.375 . . . . 55.020000000000003 107.287 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.33 130.5 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-O 121.14 0.495 . . . . 64.450000000000003 109.881 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.9 114.87 18.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.729 1.212 . . . . 65.439999999999998 107.862 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -125.67 145.29 50.23 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.698 0.799 . . . . 74.109999999999999 109.381 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -81.6 -17.68 47.41 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 65.439999999999998 110.008 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' HB2' HD23 ' A' ' 14' ' ' LEU . 80.5 m-20 -102.57 117.04 33.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.051 0.94 . . . . 74.450000000000003 110.272 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.0 -25.49 63.68 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.576 1.15 . . . . 64.439999999999998 111.699 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.22 -51.41 58.41 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.208 1.003 . . . . 75.409999999999997 109.918 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 11' ' ' ASN . 4.1 mm? -66.56 -27.84 68.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.58 -0.737 . . . . 72.519999999999996 112.474 -175.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.644 HD11 HD21 ' A' ' 59' ' ' ASN . 64.6 mt -60.45 -51.64 70.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 118.201 0.455 . . . . 71.510000000000005 110.571 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 15.7 ptpt -75.59 -32.56 60.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.748 -0.66 . . . . 72.420000000000002 111.808 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -65.54 -46.4 79.68 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.471 0.708 . . . . 73.120000000000005 110.827 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.43 -35.48 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.969 0.908 . . . . 62.340000000000003 110.201 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -54.34 -42.52 70.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 117.924 0.329 . . . . 65.420000000000002 111.749 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 13.8 mmmm -73.36 -38.38 65.73 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.886 0.475 . . . . 70.030000000000001 110.854 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -56.16 -53.79 52.94 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.475 0.71 . . . . 64.549999999999997 111.651 172.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 ' SD ' ' A' ' 121' ' ' MET . 13.0 m -81.37 -11.44 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.059 -0.973 . . . . 64.239999999999995 111.697 -171.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.42 -43.67 71.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.567 1.147 . . . . 74.319999999999993 110.552 170.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -76.85 -25.2 52.87 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.812 -1.085 . . . . 75.230000000000004 111.189 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -98.74 -7.03 28.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.372 0.669 . . . . 72.439999999999998 112.263 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.23 43.93 77.81 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 114.783 0.673 . . . . 22.109999999999999 114.783 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.66 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 10.2 m-85 -103.44 102.76 12.69 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.808 -0.812 . . . . 75.230000000000004 108.808 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.76 116.5 8.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.794 0.838 . . . . 73.140000000000001 110.344 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.54 130.06 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.708 0.803 . . . . 72.019999999999996 111.446 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -119.37 120.26 36.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.442 1.097 . . . . 73.409999999999997 108.617 169.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.96 118.92 32.61 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.914 -0.772 . . . . 51.549999999999997 108.914 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.68 118.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.303 1.041 . . . . 72.439999999999998 108.524 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -129.76 5.17 5.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.919 1.288 . . . . 72.230000000000004 110.275 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.49 137.82 47.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.303 1.041 . . . . 75.349999999999994 108.474 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 p -64.87 -26.15 68.2 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.341 0.656 . . . . 74.409999999999997 111.92 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.587 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 14.2 m-20 -66.99 -43.92 81.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.552 0.341 . . . . 71.239999999999995 110.6 173.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.57 -35.34 80.65 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.9 0.75 . . . . 72.230000000000004 110.547 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 66' ' ' GLU . 4.4 tt -56.51 -52.15 65.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.839 0.856 . . . . 75.230000000000004 110.484 174.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 36' ' ' ASP . 51.9 mtmt -55.49 -57.72 10.75 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.0 0.813 . . . . 73.329999999999998 110.368 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 34.7 mmtp -49.46 -57.49 6.89 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 124.931 1.395 . . . . 65.409999999999997 111.858 -174.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 4.9 mm-40 -67.89 -35.5 78.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.646 -0.706 . . . . 64.030000000000001 111.284 -171.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 67' ' ' MET . 92.1 mmm -67.21 -35.21 79.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.374 0.421 . . . . 74.310000000000002 111.706 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.2 mmtt -65.82 -40.9 92.25 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.286 -0.635 . . . . 70.439999999999998 109.286 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.35 -36.83 85.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.096 0.958 . . . . 74.400000000000006 111.321 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD21 HG21 ' A' ' 54' ' ' ILE . 79.4 mt -64.96 -31.56 72.86 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.152 0.581 . . . . 75.010000000000005 111.236 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.7 -26.31 34.75 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.351 0.661 . . . . 71.319999999999993 111.247 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.97 -18.1 60.92 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.445 0.698 . . . . 63.310000000000002 111.532 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.18 116.37 27.7 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.56 -0.533 . . . . 72.219999999999999 109.56 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -3.15 36.66 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.011 0.524 . . . . 73.219999999999999 111.105 -174.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -66.17 147.75 52.86 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.492 0.717 . . . . 74.5 110.829 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.48 78.31 1.43 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.069 0.948 . . . . 75.430000000000007 109.369 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.84 141.38 48.48 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.499 0.72 . . . . 74.129999999999995 110.365 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 128' ' ' GLU . 29.1 mtmm -93.88 98.82 11.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.602 1.161 . . . . 70.409999999999997 109.544 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.514 HG21 HD21 ' A' ' 45' ' ' LEU . 50.6 mm -105.28 126.19 60.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.987 0.915 . . . . 62.109999999999999 109.318 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.58 127.9 48.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.691 -0.855 . . . . 73.299999999999997 108.691 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' HB ' HD22 ' A' ' 6' ' ' LEU . 23.9 mm -111.71 119.53 60.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 123.804 0.842 . . . . 72.25 108.966 175.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.517 HD13 HG23 ' A' ' 15' ' ' ILE . 62.8 mt -95.47 128.86 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.868 -0.79 . . . . 73.340000000000003 108.868 171.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -140.61 122.89 15.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.737 -0.838 . . . . 60.329999999999998 108.737 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.644 HD21 HD11 ' A' ' 15' ' ' ILE . 18.8 m120 -80.03 -22.18 42.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.955 0.902 . . . . 53.420000000000002 111.269 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.47 117.37 30.76 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 107.488 -1.301 . . . . 74.420000000000002 107.488 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 34.9 pttt -70.79 -15.15 62.64 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.89 -0.595 . . . . 73.150000000000006 110.851 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.84 -55.64 21.4 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.53 0.732 . . . . 75.040000000000006 109.56 168.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.6 -27.31 67.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.264 -0.88 . . . . 64.400000000000006 111.019 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tt -62.08 -49.08 77.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.771 0.828 . . . . 70.040000000000006 110.03 173.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.26 -48.93 79.66 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.172 0.589 . . . . 65.519999999999996 111.404 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.6 mm-40 -56.8 -46.47 81.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.921 0.763 . . . . 72.010000000000005 110.196 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.604 ' SD ' ' SD ' ' A' ' 42' ' ' MET . 40.6 tpp -55.03 -53.13 59.71 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.292 -1.322 . . . . 72.430000000000007 110.62 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.14 -42.81 99.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.979 0.912 . . . . 73.400000000000006 111.539 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.38 -32.96 74.87 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.007 0.523 . . . . 74.140000000000001 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.13 -42.64 79.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.79 0.436 . . . . 74.420000000000002 110.682 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 67' ' ' MET . 57.2 mt -66.29 -32.41 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.911 0.484 . . . . 61.200000000000003 110.436 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.5 t -59.09 -40.5 85.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.714 0.806 . . . . 75.530000000000001 110.646 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -73.47 -28.14 61.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.151 -0.931 . . . . 74.430000000000007 111.058 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.51 -31.19 32.95 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.666 0.787 . . . . 45.210000000000001 111.573 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.15 61.23 4.06 Favored Glycine 0 C--N 1.348 1.225 0 C-N-CA 123.269 0.461 . . . . 75.120000000000005 113.423 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -121.27 149.4 42.95 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.309 0.644 . . . . 71.430000000000007 110.567 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -78.87 115.18 18.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.284 0.634 . . . . 61.549999999999997 110.298 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 43.4 t -107.35 135.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.707 0.803 . . . . 72.0 110.946 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.66 116.31 28.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.163 -1.421 . . . . 75.430000000000007 107.163 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 40.9 tp -110.61 129.16 55.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.296 1.038 . . . . 60.240000000000002 111.318 -172.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 37.3 tp -113.63 122.68 47.93 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.761 0.824 . . . . 63.420000000000002 109.728 172.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.87 117.84 34.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.982 0.913 . . . . 70.209999999999994 108.982 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -109.33 112.38 24.48 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.419 -0.586 . . . . 71.219999999999999 109.419 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.83 139.64 26.51 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.024 -0.732 . . . . 72.409999999999997 109.024 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -77.36 -20.49 54.71 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.777 0.831 . . . . 74.209999999999994 112.226 -175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -107.37 91.16 3.54 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.07 -0.715 . . . . 62.310000000000002 109.07 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 46.9 mt-10 -62.17 -11.05 12.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.166 0.986 . . . . 62.439999999999998 113.195 -176.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.31 -60.58 3.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.58 0.752 . . . . 65.450000000000003 110.597 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.17 -29.82 43.18 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.853 0.461 . . . . 52.020000000000003 110.579 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.654 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 26.9 tp -61.29 -36.1 79.15 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.943 0.897 . . . . 73.140000000000001 110.782 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.54 -48.23 80.4 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.032 0.533 . . . . 71.219999999999999 110.32 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.29 -50.41 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.082 -0.963 . . . . 71.040000000000006 110.992 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -71.8 -26.36 62.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.771 0.828 . . . . 70.329999999999998 111.171 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -65.77 -55.62 16.27 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.403 -0.591 . . . . 43.210000000000001 109.403 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -63.19 -27.83 69.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.714 0.806 . . . . 73.109999999999999 111.473 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.2 -58.41 7.8 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.552 1.141 . . . . 61.5 110.756 174.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' A' ' 102' ' ' TYR . 47.7 mt -81.52 -23.36 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 114.355 -1.293 . . . . 64.319999999999993 111.052 -173.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.26 -30.29 64.71 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 109.024 -0.732 . . . . 71.25 109.024 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.9 t -72.35 -29.68 64.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.426 0.691 . . . . 51.109999999999999 110.06 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -76.76 4.57 9.33 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.556 0.743 . . . . 64.420000000000002 111.468 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.85 22.61 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.024 0.345 . . . . 72.209999999999994 113.74 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 97' ' ' ILE . 74.6 m-85 -116.65 147.43 41.93 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.852 0.461 . . . . 75.430000000000007 110.985 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.62 93.02 2.99 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.654 -0.869 . . . . 73.120000000000005 108.654 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 t -112.03 116.92 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 109.642 -0.503 . . . . 55.119999999999997 109.642 -172.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -119.39 145.8 45.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.179 0.591 . . . . 61.049999999999997 109.768 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HB2' HD21 ' A' ' 90' ' ' LEU . 11.1 ptmm? -111.4 143.53 42.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.364 1.066 . . . . 71.140000000000001 110.37 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -147.13 153.77 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 123.533 0.733 . . . . 54.340000000000003 109.481 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 p -118.76 -31.69 4.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.885 0.874 . . . . 75.109999999999999 110.722 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.99 149.36 21.58 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.522 0.729 . . . . 72.140000000000001 111.553 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.06 -38.09 72.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.068 0.947 . . . . 70.450000000000003 111.637 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.42 -44.64 82.39 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.476 -0.784 . . . . 75.019999999999996 110.085 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 116' ' ' ILE . 35.9 tt0 -75.48 -34.42 60.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.464 -0.789 . . . . 60.219999999999999 110.694 -178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -53.23 -47.67 68.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.46 0.704 . . . . 72.340000000000003 111.157 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 72.8 mt -58.92 -44.28 91.27 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.117 0.886 . . . . 73.530000000000001 110.344 176.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -67.62 -32.7 73.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.418 0.687 . . . . 73.329999999999998 112.267 -176.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 112' ' ' GLU . 44.4 mm -74.8 -32.86 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 109.698 -0.482 . . . . 61.009999999999998 109.698 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.3 t -62.55 -40.66 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.632 -0.507 . . . . 64.219999999999999 109.632 169.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 32.9 mtp180 -67.4 -30.24 69.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.44 0.696 . . . . 73.200000000000003 111.246 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.26 -49.8 70.46 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.588 -0.523 . . . . 60.240000000000002 109.588 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.436 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.8 m-30 -60.3 -40.78 91.75 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.244 -0.889 . . . . 73.439999999999998 111.664 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.736 ' SD ' HG12 ' A' ' 22' ' ' VAL . 77.6 mtm -72.58 -30.42 64.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.547 0.739 . . . . 73.150000000000006 111.887 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -66.25 -47.32 74.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.746 0.818 . . . . 75.200000000000003 111.146 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -80.44 -35.69 34.63 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.824 -1.08 . . . . 65.340000000000003 110.672 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.33 -32.86 72.23 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.866 -0.606 . . . . 64.5 109.465 169.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.25 -35.65 88.68 Favored Glycine 0 C--N 1.349 1.272 0 O-C-N 123.595 0.56 . . . . 74.430000000000007 112.276 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -65.99 -36.08 82.33 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.521 0.728 . . . . 72.219999999999999 110.789 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.95 -32.04 59.34 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.374 0.669 . . . . 75.310000000000002 109.392 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.431 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 19.2 tp10 -66.57 -31.06 71.52 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.245 -1.343 . . . . 63.530000000000001 110.71 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -62.11 138.17 58.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.677 -0.49 . . . . 72.319999999999993 109.677 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.16 87.02 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.571 0.748 . . . . 75.239999999999995 110.269 -174.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -83.45 139.16 33.12 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.569 -1.196 . . . . 74.430000000000007 109.997 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -86.86 53.71 2.92 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.337 1.055 . . . . 73.409999999999997 111.542 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -179.9 177.29 0.68 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.242 1.817 . . . . 73.219999999999999 107.679 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 108.797 -0.816 . . . . 73.439999999999998 108.797 173.402 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 109.276 -0.638 . . . . 71.439999999999998 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -149.17 90.4 1.74 Allowed 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.363 -0.977 . . . . 64.349999999999994 108.363 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.78 131.25 40.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.373 -0.973 . . . . 64.129999999999995 108.373 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HB2' HG22 ' A' ' 78' ' ' VAL . 20.3 mt -109.57 141.2 42.41 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.573 -1.194 . . . . 63.140000000000001 108.033 -177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.3 mm -111.78 104.86 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.063 -1.458 . . . . 71.329999999999998 107.063 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.1 OUTLIER -90.82 132.24 36.0 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.638 -1.616 . . . . 60.140000000000001 106.638 -179.472 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.5 HD12 HD21 ' A' ' 55' ' ' LEU . 67.3 mt -136.28 137.44 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.446 -0.576 . . . . 63.229999999999997 109.446 -176.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 58' ' ' SER . 2.9 t-20 -132.34 115.29 15.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.101 0.96 . . . . 74.230000000000004 109.415 177.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 139.59 53.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.514 -0.921 . . . . 70.299999999999997 108.514 169.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.18 -17.48 56.75 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.034 0.533 . . . . 72.239999999999995 110.308 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -96.54 123.44 40.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.22 1.008 . . . . 63.240000000000002 111.014 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.584 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.5 m-20 -59.36 -30.92 68.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.99 1.316 . . . . 71.540000000000006 112.376 -177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.02 -55.67 31.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.264 1.026 . . . . 74.209999999999994 110.282 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.93 -24.86 66.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.152 0.581 . . . . 75.439999999999998 111.92 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 12' ' ' ASP . 70.1 mt -59.84 -58.7 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 109.639 -0.504 . . . . 73.25 109.639 174.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -29.22 66.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.072 0.549 . . . . 54.43 111.993 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.72 -55.92 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.509 0.724 . . . . 72.310000000000002 110.747 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.48 -33.21 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 124.182 0.926 . . . . 74.329999999999998 110.813 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.6 mttt -51.57 -44.62 62.81 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.475 0.484 . . . . 65.510000000000005 110.923 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -78.88 -44.43 22.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.509 0.723 . . . . 73.140000000000001 111.495 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -49.1 -51.45 31.68 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.536 0.735 . . . . 74.400000000000006 112.066 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG23 HG22 ' A' ' 29' ' ' VAL . 5.7 m -85.11 -19.95 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.165 -0.925 . . . . 61.350000000000001 111.688 -171.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -57.36 -46.68 83.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.288 1.035 . . . . 73.209999999999994 110.284 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -79.01 1.18 24.78 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.136 -0.938 . . . . 50.299999999999997 112.212 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.71 2.48 21.88 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.744 0.818 . . . . 70.049999999999997 111.566 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.84 15.92 69.12 Favored Glycine 0 N--CA 1.473 1.164 0 N-CA-C 114.912 0.725 . . . . 71.030000000000001 114.912 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -100.66 124.48 46.31 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.227 0.611 . . . . 74.439999999999998 109.778 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.72 107.43 6.82 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.101 0.961 . . . . 74.420000000000002 109.562 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 22' ' ' VAL . 3.5 t -78.83 132.23 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.519 0.727 . . . . 72.120000000000005 110.767 -172.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -127.9 149.76 50.17 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 107.554 -1.276 . . . . 72.129999999999995 107.554 166.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.14 141.9 51.47 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 108.774 -0.825 . . . . 75.430000000000007 108.774 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG12 HD13 ' A' ' 63' ' ' LEU . 55.5 t -121.95 114.8 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 62.219999999999999 108.093 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -111.78 -1.58 15.56 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.266 1.026 . . . . 72.200000000000003 111.003 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -150.41 155.69 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.7 0.286 . . . . 74.150000000000006 110.611 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 p -60.37 -28.67 68.38 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.334 1.054 . . . . 70.109999999999999 112.457 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 25.6 t70 -60.73 -52.04 66.8 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.513 0.508 . . . . 63.049999999999997 109.694 172.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -59.26 -37.3 77.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.435 1.085 . . . . 74.230000000000004 110.854 -177.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.7 tt -54.18 -57.43 11.18 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 114.507 -1.224 . . . . 64.329999999999998 110.344 173.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.04 -39.78 75.49 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 124.26 0.975 . . . . 70.530000000000001 111.594 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 29.2 mmmt -62.32 -43.72 98.16 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.955 0.784 . . . . 74.409999999999997 110.449 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 44' ' ' LYS . 24.4 mm-40 -83.43 -21.27 32.99 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.881 0.697 . . . . 74.439999999999998 112.881 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.9 mmt -67.56 -36.02 80.15 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.893 -0.41 . . . . 65.340000000000003 109.893 170.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -57.47 -45.23 85.06 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.177 0.923 . . . . 72.420000000000002 110.068 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 38.7 mmtm -61.72 -38.76 89.09 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.829 0.705 . . . . 64.409999999999997 111.114 -175.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.39 -21.74 65.58 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.989 0.516 . . . . 75.319999999999993 112.02 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.24 -35.49 10.33 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.433 0.693 . . . . 55.399999999999999 111.409 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -81.99 -44.29 16.88 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.673 0.789 . . . . 63.240000000000002 111.12 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -71.21 97.17 1.49 Allowed 'General case' 0 C--N 1.348 0.512 0 N-CA-C 109.14 -0.689 . . . . 53.409999999999997 109.14 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -67.08 -12.89 61.2 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.562 -0.744 . . . . 60.409999999999997 110.543 174.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.94 139.82 26.47 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 125.124 1.37 . . . . 71.109999999999999 110.546 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -82.81 55.65 3.12 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.461 1.124 . . . . 74.129999999999995 108.724 173.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -89.85 121.89 32.4 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.607 -1.179 . . . . 72.409999999999997 109.677 -165.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -79.68 96.39 6.2 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 107.897 -1.149 . . . . 64.239999999999995 107.897 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -98.11 132.19 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 109.068 -0.716 . . . . 64.129999999999995 109.068 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 7' ' ' ILE . 9.1 tt -117.39 127.46 54.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.18 -1.044 . . . . 51.039999999999999 108.18 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 67' ' ' MET . 20.8 mm -111.73 128.73 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 109.275 -0.639 . . . . 74.109999999999999 109.275 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -109.93 127.51 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 107.772 -1.196 . . . . 63.039999999999999 107.772 169.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' ASN . 37.2 t -131.81 135.62 46.89 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.152 -1.425 . . . . 61.520000000000003 107.152 174.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -88.09 -8.05 56.06 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.325 0.25 . . . . 74.209999999999994 110.789 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -112.36 125.04 53.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.924 0.89 . . . . 62.210000000000001 109.373 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.2 pttm -75.25 -27.37 59.45 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.277 0.631 . . . . 73.219999999999999 112.083 -174.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -67.82 -42.2 81.86 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 109.596 -0.52 . . . . 60.210000000000001 109.596 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 90.7 mt -61.35 -43.67 98.48 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.825 0.703 . . . . 62.530000000000001 109.658 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 80' ' ' LEU . 2.3 tt -54.69 -42.21 71.15 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.741 0.816 . . . . 73.230000000000004 112.003 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 51.7 mtpt -65.11 -54.86 23.39 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.084 0.554 . . . . 73.420000000000002 110.821 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -54.43 -41.63 69.58 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.967 0.792 . . . . 73.430000000000007 110.833 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 6' ' ' LEU . 36.4 ttm -57.61 -51.84 67.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.431 1.492 . . . . 64.310000000000002 111.314 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.16 -22.31 61.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.574 0.75 . . . . 73.400000000000006 111.795 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 11.9 mm-40 -64.24 -52.06 60.61 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.895 -0.78 . . . . 73.239999999999995 108.895 170.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.28 -37.56 87.93 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 114.223 -1.353 . . . . 63.130000000000003 111.785 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.668 HG21 HG21 ' A' ' 78' ' ' VAL . 85.0 mt -70.76 -35.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.425 0.69 . . . . 74.310000000000002 110.85 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -65.49 -32.47 74.1 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.716 0.406 . . . . 64.409999999999997 110.602 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -71.5 -32.18 67.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.052 0.541 . . . . 75.319999999999993 110.582 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.19 -34.66 66.1 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.603 0.761 . . . . 60.100000000000001 110.419 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.44 83.12 0.43 Allowed Glycine 0 C--N 1.346 1.111 0 CA-C-N 115.384 -0.825 . . . . 62.039999999999999 112.195 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.5 148.15 50.49 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.882 0.873 . . . . 72.329999999999998 110.26 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -82.1 100.28 9.69 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.491 -1.3 . . . . 75.0 107.491 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 71' ' ' ILE . 57.8 t -110.95 134.28 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.752 0.821 . . . . 54.140000000000001 110.747 -176.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -100.41 127.79 46.65 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.682 -1.229 . . . . 64.450000000000003 107.682 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 64' ' ' LEU . 39.5 tp -115.0 132.37 56.62 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.309 0.644 . . . . 75.219999999999999 111.413 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 20.9 tp -113.78 126.09 54.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.071 0.548 . . . . 73.310000000000002 109.829 169.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 90' ' ' LEU . 95.6 mt -112.06 115.0 28.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.838 0.855 . . . . 74.140000000000001 109.552 174.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.8 112.42 25.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.856 0.862 . . . . 75.219999999999999 108.993 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -154.8 137.39 15.15 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.104 -1.073 . . . . 74.310000000000002 108.104 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -74.71 -14.6 60.75 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.46 0.704 . . . . 70.519999999999996 112.811 -172.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -106.16 83.58 1.92 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.061 -0.718 . . . . 55.5 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 90' ' ' LEU . 40.2 mt-10 -62.01 -22.79 65.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.731 1.212 . . . . 72.400000000000006 113.408 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -62.66 -58.1 8.68 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.189 0.596 . . . . 70.439999999999998 110.598 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.36 -29.2 62.48 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.016 0.526 . . . . 61.039999999999999 110.596 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 57.6 tp -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.407 1.083 . . . . 74.420000000000002 111.668 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.36 -38.5 65.68 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.195 0.598 . . . . 73.040000000000006 110.362 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.95 -32.45 71.98 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.01 0.819 . . . . 65.0 111.216 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -80.6 -35.67 33.84 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.758 0.823 . . . . 74.409999999999997 110.455 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HD3' ' HG3' ' A' ' 106' ' ' LYS . 28.2 ttpp -62.18 -51.29 68.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.867 0.867 . . . . 73.340000000000003 111.08 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -60.37 -23.98 64.72 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.285 0.991 . . . . 71.230000000000004 112.911 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -63.39 -56.3 17.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.625 0.77 . . . . 74.030000000000001 110.063 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.6 mt -78.39 -27.99 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 114.321 -1.309 . . . . 65.340000000000003 110.734 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.75 -33.59 72.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.335 1.054 . . . . 73.019999999999996 109.621 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 -20.99 57.62 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.762 0.825 . . . . 75.420000000000002 110.578 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -80.14 4.94 15.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.307 0.643 . . . . 64.230000000000004 111.338 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.71 40.72 7.57 Favored Glycine 0 C--N 1.35 1.353 0 C-N-CA 122.81 0.243 . . . . 75.030000000000001 112.774 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -120.95 134.85 55.31 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.484 0.714 . . . . 75.140000000000001 109.393 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.51 93.78 3.6 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.501 -0.925 . . . . 71.420000000000002 108.501 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 80' ' ' LEU . 15.3 t -108.51 131.43 59.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.549 -0.75 . . . . 73.310000000000002 109.296 -174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -121.41 159.55 25.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.32 0.648 . . . . 75.25 110.29 172.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 48.9 mtpt -96.74 154.9 17.02 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.681 -1.145 . . . . 71.099999999999994 109.554 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -160.28 151.43 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.585 -0.734 . . . . 73.209999999999994 109.977 168.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.7 p -120.32 -39.98 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.431 1.093 . . . . 62.329999999999998 110.141 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.11 157.2 18.4 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.916 0.886 . . . . 71.030000000000001 111.933 -169.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.54 -50.18 40.23 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.867 1.267 . . . . 73.409999999999997 111.735 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 112' ' ' GLU . 5.9 pt-20 -62.08 -43.13 99.5 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 124.254 0.971 . . . . 75.010000000000005 109.362 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 111' ' ' GLU . 8.9 tp10 -69.18 -35.57 76.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 114.475 -1.239 . . . . 74.230000000000004 110.512 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -56.81 -50.61 71.85 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.512 0.725 . . . . 33.420000000000002 110.686 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.78 -40.55 95.57 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.965 0.791 . . . . 62.420000000000002 110.26 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.26 -45.05 74.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.941 0.896 . . . . 72.420000000000002 112.552 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.2 mm -68.28 -32.05 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.589 0.356 . . . . 41.520000000000003 110.533 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 113' ' ' ALA . 65.1 t -61.36 -45.83 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 109.536 -0.542 . . . . 73.530000000000001 109.536 172.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -67.62 -22.44 65.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.349 0.66 . . . . 72.209999999999994 111.499 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -69.73 -48.98 57.49 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.953 0.501 . . . . 62.109999999999999 109.893 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.5 m-85 -58.85 -43.15 90.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.92 0.888 . . . . 73.420000000000002 111.785 176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.413 ' HE2' HG12 ' A' ' 117' ' ' VAL . 71.5 mtm -73.57 -27.04 61.11 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.629 0.772 . . . . 71.040000000000006 111.809 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -68.54 -43.83 75.83 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.24 0.616 . . . . 74.239999999999995 110.262 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.75 -46.0 73.36 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.428 -0.805 . . . . 74.230000000000004 109.524 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.81 74.64 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.141 -0.936 . . . . 53.0 110.761 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.14 99.06 Favored Glycine 0 C--N 1.349 1.298 0 O-C-N 123.734 0.646 . . . . 71.540000000000006 112.583 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -67.07 -32.47 73.67 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.066 0.546 . . . . 62.43 111.33 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 70.7 mt -79.71 -50.8 10.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.715 0.806 . . . . 73.400000000000006 110.204 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -75.78 -49.65 17.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.694 0.798 . . . . 71.400000000000006 111.914 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -74.28 89.74 2.07 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.383 -1.339 . . . . 75.329999999999998 107.383 172.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -67.11 87.16 0.15 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.435 1.094 . . . . 71.209999999999994 109.697 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -76.3 97.81 4.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.151 -0.931 . . . . 75.030000000000001 108.579 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -52.49 133.6 35.41 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.26 -1.336 . . . . 72.409999999999997 112.379 -171.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -143.49 77.58 1.56 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.569 1.176 . . . . 63.240000000000002 110.22 176.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 106.008 -1.849 . . . . 62.530000000000001 106.008 167.697 . . . . . . . . 0 0 . 1 stop_ save_