data_2juc_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 2juc _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 ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 CA--C 1.471 -2.072 0 CA-C-O 126.573 3.082 . . . . 15.0 111.283 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.44 -24.59 46.0 Favored 'General case' 1 C--N 1.198 -6.018 1 CA-C-N 104.448 -5.797 . . . . 15.0 109.914 -179.906 . . . . . . . . 5 4 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 10' ' ' ASN . 22.0 ptt180 -56.11 -50.18 71.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.669 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.967 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 42.7 m-80 -60.95 -19.81 61.39 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.066 -176.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.833 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mm -59.46 -44.74 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 172.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.685 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.7 m-85 -74.58 -51.11 15.47 Favored 'General case' 0 C--O 1.175 -2.838 0 CA-C-O 117.129 -1.415 . . . . 15.0 112.875 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.124 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.57 -45.18 1.57 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.015 1.326 . . . . 15.0 110.202 162.969 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 12.6 tp10 -63.38 -50.24 70.68 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 39' ' ' ASP . 7.0 mt -59.99 -32.54 70.94 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.215 -0.902 . . . . 15.0 108.965 171.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.081 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m-30 -77.7 -30.65 51.94 Favored 'General case' 0 N--CA 1.392 -3.352 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 -167.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.56 -37.49 31.32 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.731 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -49.81 -35.51 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.166 -0.925 . . . . 15.0 111.175 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -111.27 12.85 21.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.08 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.61 76.77 0.05 Allowed 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 124.518 1.136 . . . . 15.0 112.174 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 30' ' ' GLN . 23.3 mt -77.03 -171.36 1.97 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.161 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.985 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 7.4 t70 -119.41 106.03 11.86 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 107.85 -1.167 . . . . 15.0 107.85 160.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.031 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -75.35 -0.54 20.16 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.199 -1.364 . . . . 15.0 110.435 -170.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.49 -47.14 2.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 35.6 t -47.24 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.535 0.734 . . . . 15.0 111.997 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.45 157.99 45.51 Favored 'General case' 0 CA--C 1.458 -2.588 0 N-CA-C 108.34 -0.985 . . . . 15.0 108.34 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.138 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.1 t-105 -72.91 -52.03 16.26 Favored 'General case' 0 C--N 1.27 -2.88 0 C-N-CA 117.409 -1.716 . . . . 15.0 109.046 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.874 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.303 6.0 p -82.19 -34.69 28.88 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 118.554 2.798 . . . . 15.0 118.554 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 13.4 tp -48.76 -31.16 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.348 -1.723 . . . . 15.0 106.348 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.985 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -82.08 -47.57 12.43 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 112.703 -2.044 . . . . 15.0 110.454 172.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.874 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 65.2 p -79.6 -40.36 29.53 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.898 2.184 . . . . 15.0 116.898 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.6 ptmm? -64.56 -9.37 18.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.328 -0.99 . . . . 15.0 108.328 171.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 23.6 ttmm -92.52 -40.45 10.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 113.995 -1.457 . . . . 15.0 109.584 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.694 HD12 ' CD1' ' A' ' 40' ' ' PHE . 2.0 pt -86.39 -4.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.564 0.697 . . . . 15.0 109.867 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.903 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tt0 -44.61 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.957 -1.474 . . . . 15.0 114.023 -175.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.486 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 9.1 t30 -47.95 -25.13 1.24 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.595 -1.184 . . . . 15.0 112.94 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 5.0 m-20 -63.57 132.49 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.157 -0.312 . . . . 15.0 110.157 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.43 -13.11 9.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.914 2.409 . . . . 15.0 112.451 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.977 ' HB3' HD11 ' A' ' 15' ' ' LEU . 8.0 m-20 -80.07 -29.04 39.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.063 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.903 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 2.0 t80 -61.6 -27.66 68.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.535 -0.913 . . . . 15.0 108.535 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -93.75 12.37 25.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.063 -0.971 . . . . 15.0 111.441 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 36.6 mmtm -59.45 -38.46 80.81 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.623 HG23 ' H ' ' A' ' 45' ' ' ASP . 47.0 mm -117.02 130.31 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.817 -1.083 . . . . 15.0 108.929 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.53 -9.36 59.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 15.0 110.126 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 43' ' ' ILE . 5.9 m-20 -91.18 101.9 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.388 -0.824 . . . . 15.0 109.671 177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 27.2 t70 -66.81 -29.36 69.28 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -65.94 -13.67 60.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.587 -0.733 . . . . 15.0 111.415 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.42 ' O ' HD11 ' A' ' 52' ' ' LEU . 87.6 t -100.95 -33.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 15.0 110.046 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.786 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.1 mtt180 -53.02 -50.0 65.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.645 -0.707 . . . . 15.0 111.738 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.138 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.04 -27.03 39.5 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.007 -1.077 . . . . 15.0 112.606 -175.125 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.511 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -60.7 -12.54 10.72 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 120.148 -0.621 . . . . 15.0 110.395 168.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.786 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.36 -51.13 9.23 Favored 'General case' 0 CA--C 1.461 -2.442 0 CA-C-O 125.829 2.728 . . . . 15.0 113.64 -172.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.543 1.6 t80 -48.74 -43.19 37.34 Favored 'General case' 2 C--N 1.2 -5.893 1 CA-C-N 106.498 -4.865 . . . . 15.0 112.623 175.007 . . . . . . . . 5 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.511 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -69.74 -37.24 76.4 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.474 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.6 mt-10 -72.33 -50.63 25.43 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 118.792 -1.163 . . . . 15.0 109.631 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.124 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.8 t90 -58.08 -27.74 63.93 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.049 0.928 . . . . 15.0 111.461 -177.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -56.64 -41.36 77.04 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.549 -1.659 . . . . 15.0 109.351 -175.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' SG ' ' A' ' 57' ' ' CYS . . . -134.34 40.4 1.58 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.635 -1.386 . . . . 15.0 109.635 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.812 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.255 -0.973 . . . . 15.0 109.679 -172.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.9 p30 . . . . . 0 CA--C 1.479 -1.774 0 CA-C-O 125.578 2.609 . . . . 15.0 112.061 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -80.01 -38.38 32.19 Favored 'General case' 1 C--N 1.204 -5.732 1 CA-C-N 106.291 -4.958 . . . . 15.0 110.514 -179.431 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.678 ' HD3' ' OE1' ' A' ' 55' ' ' GLU . 12.2 ptp180 -75.3 -48.83 21.37 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.651 -1.159 . . . . 15.0 111.584 -170.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.971 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 2.5 m-80 -68.98 -10.05 55.39 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.913 0.885 . . . . 15.0 109.537 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.822 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.2 mt -67.6 -45.31 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.199 -0.91 . . . . 15.0 109.313 168.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 52' ' ' LEU . 5.1 m-85 -75.76 -51.22 13.15 Favored 'General case' 0 C--O 1.174 -2.921 0 CA-C-O 116.709 -1.615 . . . . 15.0 112.458 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.085 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.35 0.1 OUTLIER -39.67 -41.68 1.1 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.989 1.268 . . . . 15.0 110.013 162.737 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.624 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 13.2 tp10 -65.42 -50.18 66.4 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.615 0.721 . . . . 15.0 109.757 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.6 mt -60.4 -33.13 72.04 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.364 -1.289 . . . . 15.0 108.762 171.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m-30 -80.33 -24.97 39.54 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 107.018 -1.475 . . . . 15.0 107.018 -168.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' PHE . 19.3 t70 -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.026 170.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 18' ' ' ARG . 6.3 ttm-85 -60.37 -25.23 65.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.815 -1.539 . . . . 15.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.0 3.62 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm 42.72 81.63 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.799 -1.546 . . . . 15.0 111.838 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.856 HD13 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -88.65 165.53 14.72 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.923 -1.035 . . . . 15.0 110.563 -177.011 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.44 89.97 6.05 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.673 -1.603 . . . . 15.0 106.673 165.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.011 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.22 -33.7 75.08 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.134 -1.848 . . . . 15.0 110.55 -173.127 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -87.34 14.0 8.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.549 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -104.29 -115.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 15.0 110.819 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -109.41 155.43 21.27 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 108.717 -0.846 . . . . 15.0 108.717 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -68.51 -51.14 46.38 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 113.732 -1.576 . . . . 15.0 109.232 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.91 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.279 4.6 p -81.47 -27.82 34.41 Favored 'General case' 0 N--CA 1.418 -2.061 0 N-CA-C 117.203 2.298 . . . . 15.0 117.203 -172.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.0 tp -50.65 -29.24 10.6 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.388 -1.708 . . . . 15.0 106.388 173.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.884 ' HG3' ' HZ1' ' A' ' 23' ' ' LYS . 10.0 mm-40 -81.6 -50.45 9.33 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 112.705 -2.043 . . . . 15.0 110.455 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.91 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 10.1 p -80.18 -39.19 29.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.564 2.431 . . . . 15.0 117.564 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.75 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -67.43 -9.58 43.16 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.687 -1.227 . . . . 15.0 107.687 171.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 31' ' ' SER . 11.9 ttmm -95.83 -55.14 3.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.825 -1.534 . . . . 15.0 110.707 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.728 HD12 ' HE1' ' A' ' 16' ' ' PHE . 7.7 pt -74.66 -1.1 2.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-O 121.376 0.607 . . . . 15.0 109.822 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 7.7 tt0 -42.23 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.168 -1.378 . . . . 15.0 113.444 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -69.36 8.35 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.495 -0.775 . . . . 15.0 113.035 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.657 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 70.4 m-20 -84.36 129.35 58.19 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.548 -0.908 . . . . 15.0 108.548 172.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.92 -15.76 10.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.849 2.366 . . . . 15.0 112.892 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 1.007 ' HB3' HD13 ' A' ' 15' ' ' LEU . 44.3 m-20 -74.38 -28.98 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.613 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.797 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -57.95 -35.72 71.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.893 0.854 . . . . 15.0 108.786 171.145 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -85.56 8.78 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.769 -1.105 . . . . 15.0 111.935 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 42.6 mmtm -61.34 -38.91 88.63 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 171.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.685 HG12 ' CE1' ' A' ' 12' ' ' PHE . 40.0 mm -107.45 134.13 50.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.82 . . . . 15.0 109.752 176.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -66.69 -33.92 76.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.37 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.466 ' H ' HG21 ' A' ' 43' ' ' ILE . 17.9 t70 -100.91 135.59 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.273 -175.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.6 t70 -84.79 -28.31 26.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.639 -176.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.444 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -77.55 1.74 18.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.102 0.477 . . . . 15.0 111.267 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HD13 ' A' ' 52' ' ' LEU . 99.1 t -98.85 -31.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.887 ' HA ' HD23 ' A' ' 52' ' ' LEU . 86.7 mtt180 -58.15 -48.94 78.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.777 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -23.93 40.1 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.475 -1.29 . . . . 15.0 112.404 -178.337 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.6 m -59.7 -12.93 7.97 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.167 -0.613 . . . . 15.0 110.326 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.01 -51.22 9.32 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-O 126.189 2.899 . . . . 15.0 113.941 -171.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.497 ' O ' ' HD2' ' A' ' 23' ' ' LYS 0.539 0.1 OUTLIER -48.51 -45.08 36.67 Favored 'General case' 2 C--N 1.201 -5.864 1 CA-C-N 106.212 -4.995 . . . . 15.0 111.858 175.465 . . . . . . . . 6 4 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -61.98 -50.11 73.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 15.0 110.174 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.678 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 31.6 mt-10 -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.036 -177.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 44.4 t90 -63.68 -27.76 69.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.116 0.96 . . . . 15.0 111.499 178.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.69 -50.39 30.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.481 -1.236 . . . . 15.0 110.868 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.36 36.11 3.97 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 109.855 -1.298 . . . . 15.0 109.855 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' HB2' ' C ' ' A' ' 56' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.092 -1.054 . . . . 15.0 109.261 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.47 -2.1 0 CA-C-O 126.228 2.918 . . . . 15.0 112.135 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -80.05 -28.83 39.19 Favored 'General case' 1 C--N 1.194 -6.18 1 CA-C-N 105.274 -5.421 . . . . 15.0 110.089 -179.83 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.701 ' HA ' HD23 ' A' ' 52' ' ' LEU . 20.3 ptt180 -56.04 -50.49 70.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.164 -0.925 . . . . 15.0 111.933 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.89 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 50.1 m-80 -64.23 -10.03 20.91 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.858 -174.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.807 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -70.22 -46.81 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 171.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.731 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -71.11 -50.99 27.73 Favored 'General case' 0 C--O 1.172 -2.984 0 CA-C-O 117.123 -1.418 . . . . 15.0 112.558 -172.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.079 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.433 0.3 OUTLIER -39.32 -45.0 1.37 Allowed 'General case' 0 N--CA 1.512 2.671 0 C-N-CA 125.705 1.602 . . . . 15.0 110.935 164.533 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -67.11 -46.72 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.361 -0.978 . . . . 15.0 108.361 -178.369 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 1.009 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.5 mt -62.8 -31.33 72.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 15.0 108.928 170.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.044 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.8 m-30 -76.59 -31.56 57.55 Favored 'General case' 0 N--CA 1.395 -3.209 0 N-CA-C 108.835 -0.802 . . . . 15.0 108.835 -169.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.46 -44.1 19.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.703 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.579 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.29 -29.13 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.205 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -108.06 0.11 21.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.086 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 36.3 tptt 54.22 91.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.953 0.883 . . . . 15.0 111.899 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 30' ' ' GLN . 20.0 mt -100.52 -170.76 1.91 Allowed 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.804 -0.634 . . . . 15.0 109.521 171.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.979 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 44.4 m-20 -130.61 96.59 4.15 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.943 -1.026 . . . . 15.0 108.308 166.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.018 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.96 -4.56 13.48 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.468 -1.697 . . . . 15.0 112.206 -164.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.737 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 41.0 p90 -132.93 7.9 4.05 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.5 t -96.77 -72.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.428 0.633 . . . . 15.0 109.477 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.32 165.24 18.71 Favored 'General case' 0 CA--C 1.456 -2.668 0 N-CA-C 106.63 -1.619 . . . . 15.0 106.63 169.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.13 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.5 t-105 -79.16 -52.12 8.6 Favored 'General case' 0 C--N 1.265 -3.069 0 C-N-CA 117.692 -1.603 . . . . 15.0 109.561 168.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 1.087 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.415 3.1 p -82.29 -24.86 34.47 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 120.249 3.426 . . . . 15.0 120.249 -175.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.7 tp -52.43 -29.23 23.37 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 122.486 2.403 . . . . 15.0 106.436 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.979 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.4 mp0 -81.87 -50.02 9.68 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 112.307 -2.224 . . . . 15.0 110.855 176.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.826 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 14.2 p -77.32 -29.3 53.51 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.895 1.813 . . . . 15.0 115.895 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 1.087 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 9.8 mmpt? -58.94 -9.92 2.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 122.067 0.936 . . . . 15.0 108.529 169.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 54.8 mttm -92.56 -59.14 2.15 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.799 -1.546 . . . . 15.0 108.24 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.676 HD12 ' HE1' ' A' ' 16' ' ' PHE . 2.6 pt -75.47 -9.66 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.206 -1.361 . . . . 15.0 112.34 -169.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.6 pt-20 -66.1 -31.33 72.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.535 0.568 . . . . 15.0 112.535 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -87.88 13.7 10.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.527 0.68 . . . . 15.0 109.935 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 39' ' ' ASP . 32.7 m-20 -119.63 153.14 54.14 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 114.816 -1.084 . . . . 15.0 108.512 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.45 -6.45 10.29 Favored 'Trans proline' 0 CA--C 1.527 0.166 0 C-N-CA 122.452 2.102 . . . . 15.0 111.335 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 1.009 ' HB3' HD13 ' A' ' 15' ' ' LEU . 31.3 m-20 -80.01 -30.19 39.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.198 -0.91 . . . . 15.0 112.503 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.658 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -33.47 75.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 170.141 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -81.21 6.19 14.73 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.721 -1.127 . . . . 15.0 111.832 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.731 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 72.6 mmtt -63.69 -41.23 98.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.68 HD13 HD12 ' A' ' 52' ' ' LEU . 56.8 mt -108.23 123.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.357 -0.838 . . . . 15.0 108.976 173.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 44' ' ' ARG . 9.0 ptp85 -64.01 -28.81 70.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 15.0 112.268 -174.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -102.45 138.29 39.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.385 0.612 . . . . 15.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 14.8 t70 -83.31 -19.22 36.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.773 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -66.01 -21.62 66.41 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.738 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.741 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 30.6 t -95.8 -30.98 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.593 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.722 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 85.3 mtt180 -53.26 -48.09 68.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.13 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.54 -28.37 37.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 118.734 -1.186 . . . . 15.0 112.679 -177.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 m -61.43 -9.96 6.6 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.433 0.635 . . . . 15.0 110.671 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 26.8 mt -74.5 -50.05 19.75 Favored 'General case' 0 CA--C 1.463 -2.379 0 CA-C-O 125.76 2.695 . . . . 15.0 113.642 -175.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.696 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.54 0.0 OUTLIER -78.36 -28.97 47.2 Favored 'General case' 2 C--N 1.199 -5.944 1 CA-C-N 107.241 -4.527 . . . . 15.0 110.16 -161.519 . . . . . . . . 6 4 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.1 mt-10 -62.84 -42.2 99.64 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.267 -1.788 . . . . 15.0 109.706 170.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -65.33 -50.22 66.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.462 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.079 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.5 t90 -71.08 -15.87 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.26 1.029 . . . . 15.0 111.376 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.737 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.3 t -63.92 -50.37 68.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.248 -1.342 . . . . 15.0 109.591 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.49 29.7 11.95 Favored Glycine 0 CA--C 1.506 -0.523 0 N-CA-C 110.144 -1.182 . . . . 15.0 110.144 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.956 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.938 0 CA-C-N 114.299 -0.95 . . . . 15.0 109.717 -174.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.466 -2.269 0 CA-C-O 126.856 3.217 . . . . 15.0 110.578 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -67.19 -24.92 65.91 Favored 'General case' 1 C--N 1.201 -5.888 1 CA-C-N 104.035 -5.984 . . . . 15.0 110.59 179.326 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.639 ' HD2' ' OE1' ' A' ' 55' ' ' GLU . 15.0 ptt180 -57.86 -50.24 73.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.596 . . . . 15.0 110.853 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.908 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.6 m-80 -64.88 -15.53 62.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.553 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.872 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -63.83 -44.89 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 172.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.666 ' HB2' HD11 ' A' ' 52' ' ' LEU . 3.5 m-85 -73.6 -51.09 18.05 Favored 'General case' 0 C--O 1.178 -2.68 0 CA-C-O 117.033 -1.461 . . . . 15.0 112.096 -173.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.102 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.62 -43.34 1.32 Allowed 'General case' 0 N--CA 1.508 2.472 0 C-N-CA 124.989 1.315 . . . . 15.0 110.44 162.231 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.0 tm-20 -65.95 -50.2 65.21 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 1.071 HD11 ' HB2' ' A' ' 39' ' ' ASP . 9.0 mt -58.35 -33.12 69.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 170.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.076 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.8 m-30 -80.07 -25.46 40.05 Favored 'General case' 0 N--CA 1.386 -3.63 0 N-CA-C 107.664 -1.236 . . . . 15.0 107.664 -168.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.61 -45.42 17.33 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.281 169.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -53.24 -30.85 40.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.645 -1.161 . . . . 15.0 111.005 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -103.98 -5.77 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.299 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 52.31 78.96 0.12 Allowed 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 123.908 0.755 . . . . 15.0 110.905 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.979 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -84.5 166.3 17.36 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.962 0.887 . . . . 15.0 110.371 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.619 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 41.6 m-20 -97.13 85.37 3.7 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.645 -1.613 . . . . 15.0 106.645 168.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.001 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.81 -31.14 72.07 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 112.71 -2.041 . . . . 15.0 111.794 -167.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -102.74 5.96 39.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -89.21 -82.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.736 -0.386 . . . . 15.0 110.842 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.42 153.57 51.04 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.712 0.768 . . . . 15.0 108.946 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.141 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -67.08 -51.58 52.64 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 113.626 -1.625 . . . . 15.0 109.028 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.825 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.313 4.8 p -81.44 -22.54 38.1 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 117.58 2.437 . . . . 15.0 117.58 -175.085 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.539 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 48.7 tp -53.25 -29.01 30.45 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 105.809 -1.922 . . . . 15.0 105.809 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.979 ' HB3' HD11 ' A' ' 21' ' ' LEU . 8.1 mm-40 -81.94 -50.71 8.84 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.601 -2.09 . . . . 15.0 112.162 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.825 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 4.9 p -79.51 -30.37 41.87 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.622 1.712 . . . . 15.0 115.622 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -67.93 -10.01 49.8 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.282 -1.377 . . . . 15.0 107.282 171.241 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 30.2 ttpt -104.4 -55.76 2.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 113.302 -1.772 . . . . 15.0 110.867 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.799 HD12 ' HE1' ' A' ' 16' ' ' PHE . 6.9 pt -75.83 -2.79 4.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-O 121.288 0.566 . . . . 15.0 110.203 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.727 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.2 tm-20 -38.18 -77.32 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.51 -1.223 . . . . 15.0 113.87 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -80.75 16.28 1.47 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.983 -0.553 . . . . 15.0 112.248 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.8 m-20 -85.05 140.47 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 173.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.56 -20.03 67.1 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.705 2.27 . . . . 15.0 112.311 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 1.071 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -80.06 -28.28 39.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.843 -0.617 . . . . 15.0 112.473 -177.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.727 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.81 -30.89 67.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 171.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.42 4.19 32.65 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.068 -0.969 . . . . 15.0 112.041 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.948 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 3.6 mptp? -62.06 -31.57 72.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.36 0.6 . . . . 15.0 109.513 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.732 HD12 HD13 ' A' ' 52' ' ' LEU . 28.0 mt -113.67 128.25 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.064 173.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.33 -32.11 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.633 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD1' ' HB ' ' A' ' 48' ' ' VAL . 2.7 p30 -92.68 155.37 17.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.496 0.665 . . . . 15.0 110.695 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 37.5 t70 -115.74 36.34 4.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.186 -1.37 . . . . 15.0 108.317 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -123.19 -16.43 6.94 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.014 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 37.5 t -98.77 -25.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.876 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.726 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.2 mtt180 -57.3 -50.34 73.24 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.394 0.616 . . . . 15.0 111.704 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.141 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.87 -9.97 59.77 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 113.559 0.948 . . . . 15.0 113.559 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -74.36 -9.67 58.83 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 119.692 -0.803 . . . . 15.0 110.155 164.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.732 HD13 HD12 ' A' ' 43' ' ' ILE . 63.9 mt -75.39 -49.4 19.11 Favored 'General case' 0 CA--C 1.458 -2.558 0 CA-C-O 125.678 2.656 . . . . 15.0 114.121 -173.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.69 ' HD2' ' O ' ' A' ' 50' ' ' GLU 0.517 0.0 OUTLIER -76.13 -33.29 59.43 Favored 'General case' 2 C--N 1.199 -5.972 1 CA-C-N 108.035 -4.166 . . . . 15.0 110.005 -165.042 . . . . . . . . 6 4 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.51 -46.5 80.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.151 -1.386 . . . . 15.0 109.715 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.639 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 53.5 mt-10 -69.56 -50.2 47.05 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.564 -0.744 . . . . 15.0 111.544 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.102 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 50.6 t90 -66.44 -21.58 66.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.923 0.868 . . . . 15.0 111.288 -178.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.421 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 41.2 t -65.59 -50.12 66.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.219 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.21 33.11 6.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 109.968 -1.253 . . . . 15.0 109.968 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.778 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.179 -172.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t0 . . . . . 0 CA--C 1.466 -2.256 0 CA-C-O 126.954 3.264 . . . . 15.0 109.136 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HA ' HD13 ' A' ' 11' ' ' ILE . 56.8 mt-10 -71.73 -32.28 67.59 Favored 'General case' 1 C--N 1.202 -5.81 1 CA-C-N 103.656 -6.156 . . . . 15.0 111.033 -179.116 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' A' ' 52' ' ' LEU . 36.7 ptt85 -56.57 -50.57 71.53 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.113 -0.949 . . . . 15.0 110.177 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.915 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 44.2 m-80 -69.59 -17.47 63.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 110.038 -0.356 . . . . 15.0 110.038 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.82 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.3 mt -61.89 -49.76 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 171.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 5.4 m-85 -69.78 -51.36 34.64 Favored 'General case' 0 C--O 1.174 -2.869 0 CA-C-O 116.942 -1.504 . . . . 15.0 112.061 -173.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.066 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.357 0.3 OUTLIER -39.84 -45.09 1.74 Allowed 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 120.235 1.38 . . . . 15.0 110.589 164.35 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 8.6 tp10 -63.43 -50.29 70.37 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.934 0.874 . . . . 15.0 109.325 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.82 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -62.3 -31.5 72.11 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.941 -1.481 . . . . 15.0 108.75 173.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.07 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.4 m-30 -79.71 -25.0 41.3 Favored 'General case' 0 N--CA 1.39 -3.429 0 N-CA-C 106.904 -1.517 . . . . 15.0 106.904 -170.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 35.9 t70 -80.53 -44.41 19.14 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.012 172.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -52.78 -31.89 40.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.511 -1.222 . . . . 15.0 111.133 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 12.0 m-30 -104.16 -3.06 24.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 49.17 82.75 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.538 -1.21 . . . . 15.0 109.891 -176.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.955 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -84.09 163.89 19.56 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 114.208 -1.36 . . . . 15.0 110.295 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.655 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 24.0 m-20 -93.94 86.47 5.06 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.749 -1.574 . . . . 15.0 106.749 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.959 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -61.55 -31.63 71.67 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 112.772 -2.013 . . . . 15.0 111.894 -169.415 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.48 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 49.0 p90 -109.7 11.5 24.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.445 0.535 . . . . 15.0 112.445 -175.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.8 t -83.24 -75.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.12 0.486 . . . . 15.0 110.331 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -146.97 153.96 40.69 Favored 'General case' 0 CA--C 1.466 -2.285 0 N-CA-C 107.882 -1.155 . . . . 15.0 107.882 174.593 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.124 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.4 t-105 -66.73 -51.81 51.64 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 113.603 -1.635 . . . . 15.0 109.445 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.872 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.267 3.9 p -81.42 -23.31 37.64 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 117.132 2.271 . . . . 15.0 117.132 -175.182 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 1.4 tm? -48.02 -34.51 9.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.402 -2.073 . . . . 15.0 105.402 172.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.955 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.76 -50.8 8.84 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.505 -2.134 . . . . 15.0 111.191 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.872 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 37.0 p -79.77 -32.24 40.93 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 116.941 2.2 . . . . 15.0 116.941 -170.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -65.61 -9.71 29.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.176 -1.416 . . . . 15.0 107.176 170.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 33.0 ttpt -106.17 -49.45 3.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.636 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.837 HD12 ' HE1' ' A' ' 16' ' ' PHE . 3.4 pt -70.33 -11.54 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.7 0.286 . . . . 15.0 111.528 -175.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 4.4 pt-20 -62.2 -24.21 67.08 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.493 -0.322 . . . . 15.0 111.824 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -80.08 -17.68 52.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.672 0.748 . . . . 15.0 110.066 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.49 164.57 19.57 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.605 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 22.1 Cg_exo -65.91 -6.19 13.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.264 1.976 . . . . 15.0 110.661 168.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.745 ' HA ' HD11 ' A' ' 15' ' ' LEU . 52.3 t0 -62.12 -50.65 71.05 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 115.081 -0.963 . . . . 15.0 110.71 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.663 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.24 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.235 0.541 . . . . 15.0 110.969 -178.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -82.63 5.01 22.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.566 -0.743 . . . . 15.0 112.415 -171.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.687 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 75.1 mmtt -73.68 -34.95 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.415 . . . . 15.0 110.303 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 12' ' ' PHE . 41.7 mt -125.49 124.92 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -69.46 -31.98 70.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 15.0 111.331 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.21 104.59 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.519 0.676 . . . . 15.0 111.175 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.44 -27.65 67.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.708 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -67.65 -5.44 15.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.479 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.7 t -105.49 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -54.4 -48.5 71.51 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.458 -0.792 . . . . 15.0 111.931 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.124 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.55 -22.96 40.3 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.706 -1.198 . . . . 15.0 113.349 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.7 m -63.8 -9.81 16.72 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.675 -0.81 . . . . 15.0 110.655 168.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' A' ' 9' ' ' ARG . 31.9 mt -75.88 -50.48 14.94 Favored 'General case' 0 CA--C 1.46 -2.507 0 CA-C-O 125.936 2.779 . . . . 15.0 114.167 -174.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.757 ' HD2' ' HZ3' ' A' ' 23' ' ' LYS 0.544 0.0 OUTLIER -71.74 -32.4 67.69 Favored 'General case' 2 C--N 1.197 -6.033 1 CA-C-N 107.217 -4.538 . . . . 15.0 110.038 -165.828 . . . . . . . . 6 4 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.5 mt-10 -57.6 -48.2 80.05 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.881 -1.509 . . . . 15.0 109.834 173.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.631 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 50.2 mt-10 -67.17 -50.35 61.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 15.0 111.204 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.07 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 51.9 t90 -65.98 -21.19 66.4 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.295 1.045 . . . . 15.0 111.334 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.48 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 48.3 t -63.75 -50.24 69.85 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.03 -1.441 . . . . 15.0 109.604 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.49 41.5 2.2 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.932 -1.267 . . . . 15.0 109.932 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.854 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.861 -0.669 . . . . 15.0 109.931 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 124.895 2.283 . . . . 15.0 114.09 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.61 -28.59 51.55 Favored 'General case' 1 C--N 1.208 -5.552 1 CA-C-N 107.968 -4.196 . . . . 15.0 108.258 174.358 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.701 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.8 ptm180 -61.55 -50.6 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.072 -1.422 . . . . 15.0 110.95 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.938 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.0 m-80 -69.7 -10.05 56.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.931 -175.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.866 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.5 mt -66.6 -49.69 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.703 -0.681 . . . . 15.0 109.322 169.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.682 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.3 m-85 -72.26 -51.3 21.56 Favored 'General case' 0 C--O 1.179 -2.646 0 CA-C-O 117.164 -1.398 . . . . 15.0 112.345 -171.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.072 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.339 0.2 OUTLIER -39.72 -43.71 1.43 Allowed 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 125.042 1.337 . . . . 15.0 110.666 163.514 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.656 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -68.19 -46.19 71.32 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.044 -0.725 . . . . 15.0 109.044 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 1.12 HD12 ' HB2' ' A' ' 39' ' ' ASP . 8.4 mt -61.62 -32.11 72.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.383 -0.969 . . . . 15.0 108.383 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.073 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.0 m-30 -79.88 -25.93 40.47 Favored 'General case' 0 N--CA 1.39 -3.437 0 N-CA-C 107.52 -1.289 . . . . 15.0 107.52 -169.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.8 t70 -80.34 -48.95 12.19 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.644 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.15 -25.69 61.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.464 -1.244 . . . . 15.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -100.47 -5.91 26.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.874 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.741 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 9.0 mtpm? 54.23 70.35 0.62 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.091 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.988 HD13 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -80.14 165.18 22.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.888 0.851 . . . . 15.0 110.25 -179.115 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.595 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 13.4 m-20 -98.13 90.38 4.85 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 169.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.991 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -65.55 -31.87 73.16 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 113.168 -1.833 . . . . 15.0 111.921 -168.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 34.0 p90 -107.89 17.04 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 15.0 111.816 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.524 ' OG ' ' HB3' ' A' ' 22' ' ' ASP . 36.3 m -96.4 -79.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.96 0.41 . . . . 15.0 111.008 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -129.93 161.61 30.49 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-O 122.08 0.943 . . . . 15.0 108.516 174.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.133 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.5 t-105 -77.28 -51.64 10.55 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 113.666 -1.607 . . . . 15.0 109.162 167.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.933 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.357 13.2 p -81.72 -35.49 29.69 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 119.689 3.218 . . . . 15.0 119.689 -170.44 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.656 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.4 mm? -51.28 -26.11 6.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 120.591 1.541 . . . . 15.0 107.03 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.988 ' HB3' HD13 ' A' ' 21' ' ' LEU . 16.0 mp0 -81.9 -50.08 9.59 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 112.524 -2.125 . . . . 15.0 111.496 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.933 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 2.1 p -75.59 -49.82 17.41 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 116.614 2.079 . . . . 15.0 116.614 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.608 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -62.41 -9.49 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.088 -1.078 . . . . 15.0 108.088 171.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.764 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -83.52 -54.28 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.112 -1.404 . . . . 15.0 109.309 174.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.822 HD12 ' HE1' ' A' ' 16' ' ' PHE . 10.0 pt -85.27 -10.92 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.704 -0.68 . . . . 15.0 112.716 -171.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.667 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 6.1 pt-20 -61.73 -27.36 68.66 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.822 -0.549 . . . . 15.0 112.463 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.91 14.03 13.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.357 0.599 . . . . 15.0 109.918 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 6.5 m-20 -118.98 157.49 50.38 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.445 -0.798 . . . . 15.0 110.117 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.52 -1.46 9.79 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.296 1.997 . . . . 15.0 112.058 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 1.12 ' HB2' HD12 ' A' ' 15' ' ' LEU . 2.1 p-10 -80.17 -48.34 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.11 -0.496 . . . . 15.0 110.813 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.689 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -55.79 -33.68 64.6 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.329 0.585 . . . . 15.0 110.158 175.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -74.13 -1.42 20.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.326 -0.852 . . . . 15.0 112.425 -176.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.633 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 37.5 mmtm -70.02 -24.0 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 15.0 110.796 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.513 HD13 HD12 ' A' ' 52' ' ' LEU . 38.3 mt -124.15 130.64 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.071 -0.715 . . . . 15.0 109.071 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.07 -57.91 9.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.654 0.74 . . . . 15.0 110.388 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.8 139.3 43.18 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.335 -1.302 . . . . 15.0 111.682 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.5 t70 -90.21 -17.24 27.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.876 -1.056 . . . . 15.0 110.214 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -64.93 -20.6 66.55 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.906 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.72 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.9 t -100.79 -20.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.491 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.763 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 94.9 mtt180 -61.83 -49.68 75.33 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.96 0.41 . . . . 15.0 111.317 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.133 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.67 -13.56 58.91 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.466 -0.771 . . . . 15.0 112.775 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -70.7 -9.75 57.88 Favored 'General case' 0 C--N 1.285 -2.212 0 C-N-CA 120.118 -0.633 . . . . 15.0 110.478 164.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.763 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.0 mt -77.28 -50.33 13.09 Favored 'General case' 0 CA--C 1.459 -2.555 0 CA-C-O 125.931 2.777 . . . . 15.0 114.041 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.79 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.543 0.0 OUTLIER -70.62 -34.8 72.5 Favored 'General case' 2 C--N 1.202 -5.839 1 CA-C-N 106.871 -4.695 . . . . 15.0 110.09 -166.872 . . . . . . . . 6 4 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.1 mt-10 -55.5 -48.52 74.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.229 -1.35 . . . . 15.0 109.599 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 12.9 mm-40 -69.97 -50.42 41.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.938 -1.028 . . . . 15.0 111.994 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.073 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 39.2 t90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.102 0.953 . . . . 15.0 111.145 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.1 t -59.73 -50.15 74.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.823 -1.535 . . . . 15.0 109.794 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.49 38.85 3.0 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.697 -1.361 . . . . 15.0 109.697 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.924 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 6.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.697 -0.752 . . . . 15.0 110.309 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 CA--C 1.469 -2.148 0 CA-C-O 126.562 3.077 . . . . 15.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -35.06 38.16 Favored 'General case' 1 C--N 1.197 -6.06 1 CA-C-N 104.552 -5.749 . . . . 15.0 110.26 -176.743 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.68 ' HA ' HD21 ' A' ' 52' ' ' LEU . 8.0 ptm180 -56.01 -50.6 70.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.905 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.965 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 35.1 m-80 -65.98 -15.62 63.17 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.611 -173.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.859 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.3 mt -63.59 -50.1 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 109.284 -0.636 . . . . 15.0 109.284 171.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.741 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -70.03 -50.82 37.47 Favored 'General case' 0 C--O 1.176 -2.795 0 CA-C-O 117.213 -1.375 . . . . 15.0 112.644 -170.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.078 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.41 0.4 OUTLIER -39.64 -47.85 2.04 Favored 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 125.542 1.537 . . . . 15.0 110.736 165.369 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.48 -43.72 89.35 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.558 -0.534 . . . . 15.0 109.558 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.995 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.2 mt -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.538 -0.912 . . . . 15.0 108.538 171.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.013 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.9 m-30 -75.21 -33.82 61.42 Favored 'General case' 0 N--CA 1.399 -3.023 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.137 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.44 -39.1 28.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.775 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 18' ' ' ARG . 32.5 ttt180 -62.65 -27.34 69.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.574 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.86 11.88 29.54 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.356 -0.979 . . . . 15.0 108.356 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 pttt 29.05 83.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 113.845 -1.525 . . . . 15.0 113.473 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 30' ' ' GLN . 25.2 mt -83.99 -170.89 3.31 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.94 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 1.032 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 11.5 m-20 -124.98 93.31 3.85 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.029 -0.987 . . . . 15.0 108.406 165.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.974 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.57 -16.55 61.15 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 113.486 -1.688 . . . . 15.0 110.363 -170.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.79 -46.38 6.6 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.997 -1.001 . . . . 15.0 111.673 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.2 t -60.23 -79.78 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.957 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.34 165.67 14.0 Favored 'General case' 0 CA--C 1.459 -2.549 0 N-CA-C 107.643 -1.243 . . . . 15.0 107.643 175.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.137 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.2 t-105 -79.69 -52.02 8.48 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 113.7 -1.591 . . . . 15.0 109.682 167.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.869 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 9.0 p -81.89 -32.92 30.74 Favored 'General case' 0 N--CA 1.418 -2.025 0 N-CA-C 119.422 3.119 . . . . 15.0 119.422 -172.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 12.8 tp -49.7 -29.75 8.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.446 -1.687 . . . . 15.0 106.446 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 1.032 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.8 mp0 -81.96 -49.99 9.65 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.418 -2.174 . . . . 15.0 110.399 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.869 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 62.8 p -80.07 -48.24 13.58 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 117.048 2.24 . . . . 15.0 117.048 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.0 ptpp? -60.96 -9.58 4.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.891 0.769 . . . . 15.0 109.834 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -98.37 -29.39 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.123 178.135 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.72 HG22 ' O ' ' A' ' 30' ' ' GLN . 1.6 pt -85.82 -6.42 10.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 N-CA-C 108.967 -0.753 . . . . 15.0 108.967 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.974 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.5 tm-20 -45.28 -79.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.014 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -48.43 -25.07 1.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.114 -0.948 . . . . 15.0 113.018 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 68.5 m-20 -69.48 139.82 89.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.776 -0.453 . . . . 15.0 109.776 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 -8.67 8.12 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.629 2.219 . . . . 15.0 112.123 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.995 ' HB3' HD13 ' A' ' 15' ' ' LEU . 29.6 m-20 -76.06 -32.39 59.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.516 -0.765 . . . . 15.0 111.534 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.974 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -65.76 -32.95 74.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 172.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -89.34 17.36 6.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.313 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.741 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.0 mmtt -73.04 -28.03 62.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 173.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 52' ' ' LEU . 54.0 mt -117.29 136.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.36 -0.837 . . . . 15.0 109.722 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.36 -51.95 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 15.0 111.65 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.9 p-10 -88.58 150.5 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.665 0.745 . . . . 15.0 111.422 -174.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.589 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 27.0 t70 -107.34 27.1 9.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.546 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -114.65 -16.42 11.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.007 0.908 . . . . 15.0 110.481 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.638 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.8 t -95.04 -30.21 4.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.705 -1.134 . . . . 15.0 109.837 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.748 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.7 mtt180 -54.74 -47.78 73.4 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.913 -0.585 . . . . 15.0 112.146 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.137 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.42 -25.49 38.97 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.438 -0.905 . . . . 15.0 112.35 -177.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -64.7 -9.77 22.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.422 0.629 . . . . 15.0 110.178 169.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.748 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 17.4 mt -74.46 -50.26 19.04 Favored 'General case' 0 CA--C 1.459 -2.532 0 CA-C-O 125.698 2.666 . . . . 15.0 113.798 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.712 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.541 0.0 OUTLIER -77.54 -30.69 52.87 Favored 'General case' 2 C--N 1.199 -5.963 1 CA-C-N 107.313 -4.494 . . . . 15.0 110.41 -163.005 . . . . . . . . 6 4 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.3 mt-10 -63.89 -40.64 96.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.723 -1.581 . . . . 15.0 109.808 169.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.622 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 12.8 mm-40 -67.66 -49.96 60.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.371 -0.832 . . . . 15.0 110.982 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.078 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 26.2 t90 -68.96 -16.62 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.355 1.074 . . . . 15.0 111.354 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 52.4 t -62.53 -50.03 72.97 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.679 -1.6 . . . . 15.0 109.036 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.81 41.32 2.26 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.066 -1.213 . . . . 15.0 110.066 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.028 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.591 -0.805 . . . . 15.0 110.323 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 CA--C 1.477 -1.859 0 CA-C-O 125.682 2.658 . . . . 15.0 113.654 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.558 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -71.05 -24.13 62.28 Favored 'General case' 1 C--N 1.198 -6.0 1 CA-C-N 106.298 -4.955 . . . . 15.0 109.395 176.741 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.541 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.5 ptt85 -61.29 -50.3 73.56 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.884 -1.053 . . . . 15.0 111.43 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.981 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 46.6 m-80 -66.81 -10.4 47.33 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.898 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.819 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -65.98 -45.97 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 170.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.841 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.0 m-85 -75.06 -50.77 15.36 Favored 'General case' 0 C--O 1.174 -2.919 0 CA-C-O 117.229 -1.367 . . . . 15.0 113.055 -171.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.065 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.356 0.1 OUTLIER -39.76 -44.61 1.6 Allowed 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 124.772 1.229 . . . . 15.0 110.204 163.151 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -64.68 -48.17 75.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.453 -0.573 . . . . 15.0 109.453 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 1.01 HD12 ' HB2' ' A' ' 39' ' ' ASP . 7.5 mt -61.73 -32.57 72.81 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.687 -0.857 . . . . 15.0 108.687 171.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.054 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.8 m-30 -77.73 -26.07 49.74 Favored 'General case' 0 N--CA 1.393 -3.281 0 N-CA-C 108.408 -0.96 . . . . 15.0 108.408 -167.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.42 -44.57 19.1 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.12 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.06 -30.63 62.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.131 -0.94 . . . . 15.0 110.494 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.533 ' HD2' HG23 ' A' ' 34' ' ' ILE . 13.1 m-30 -101.29 3.05 40.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.84 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 50.69 59.93 4.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.756 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 1.011 HD13 ' HB3' ' A' ' 30' ' ' GLN . 56.7 mt -81.28 146.68 30.29 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 122.734 1.254 . . . . 15.0 111.252 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.571 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.3 m-20 -77.31 91.04 3.78 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 112.386 -2.188 . . . . 15.0 106.355 169.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.012 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -66.14 -23.92 66.57 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.241 -171.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -99.79 -12.0 20.31 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.739 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -83.45 -84.05 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 15.0 111.799 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -124.99 163.96 21.18 Favored 'General case' 0 CA--C 1.466 -2.286 0 CA-C-O 122.21 1.005 . . . . 15.0 109.074 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.107 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.2 t-105 -78.51 -52.28 8.74 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 113.516 -1.674 . . . . 15.0 109.792 168.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.865 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.337 6.1 p -81.67 -34.58 30.65 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 118.937 2.939 . . . . 15.0 118.937 -171.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.2 OUTLIER -49.86 -28.44 6.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.28 -1.748 . . . . 15.0 106.28 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 1.011 ' HB3' HD13 ' A' ' 21' ' ' LEU . 12.9 mp0 -81.86 -50.21 9.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 112.771 -2.013 . . . . 15.0 110.213 173.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.865 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 29.2 p -80.26 -34.76 36.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.469 2.396 . . . . 15.0 117.469 -176.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.3 ptmm? -67.39 -9.55 42.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.433 -1.321 . . . . 15.0 107.433 170.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.62 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 24.3 ttmm -95.7 -49.08 5.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.501 -1.681 . . . . 15.0 110.158 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 30' ' ' GLN . 2.7 pt -81.97 -5.83 9.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 121.262 0.553 . . . . 15.0 110.625 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.823 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 27.5 tt0 -44.67 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.181 1.178 . . . . 15.0 114.181 -174.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.53 -14.17 4.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.77 -1.105 . . . . 15.0 113.185 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.2 m-20 -68.95 158.89 85.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 15.0 111.064 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.66 -8.91 23.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.813 2.342 . . . . 15.0 112.611 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 1.01 ' HB2' HD12 ' A' ' 15' ' ' LEU . 6.3 p-10 -79.96 -42.53 23.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.658 -0.246 . . . . 15.0 110.504 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.823 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -49.08 -40.07 30.34 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.494 0.664 . . . . 15.0 110.47 174.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -84.31 18.2 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.677 . . . . 15.0 112.41 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.585 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 67.7 mmtt -81.86 -30.1 32.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 15.0 111.398 177.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.841 HG12 ' CE1' ' A' ' 12' ' ' PHE . 28.9 mm -97.84 137.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.821 -0.352 . . . . 15.0 110.504 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.579 ' HD3' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -60.28 -22.71 63.45 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.855 -0.611 . . . . 15.0 112.011 -177.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.734 ' H ' HG23 ' A' ' 43' ' ' ILE . 27.9 m-20 -127.03 134.94 50.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.671 0.272 . . . . 15.0 110.99 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 32.1 t70 -68.72 -26.63 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.977 -0.749 . . . . 15.0 108.977 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -67.66 -9.27 41.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.008 -0.996 . . . . 15.0 111.518 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.645 ' HB ' HG21 ' A' ' 43' ' ' ILE . 53.5 t -106.59 -23.48 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.777 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.7 mtt180 -58.88 -50.15 75.09 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.002 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.107 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -22.39 41.36 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 119.035 -1.066 . . . . 15.0 112.122 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.4 m -60.55 -15.79 31.1 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.011 -0.676 . . . . 15.0 110.336 165.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.26 -51.44 8.92 Favored 'General case' 0 CA--C 1.461 -2.451 0 CA-C-O 125.492 2.568 . . . . 15.0 113.746 -171.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' HD1' ' HG2' ' A' ' 54' ' ' GLU 0.519 0.1 OUTLIER -40.29 -44.84 1.99 Allowed 'General case' 2 C--N 1.209 -5.535 1 CA-C-N 106.793 -4.73 . . . . 15.0 112.079 171.535 . . . . . . . . 6 4 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.531 ' HG2' ' HD1' ' A' ' 53' ' ' PHE . 2.9 mt-10 -62.93 -49.86 73.09 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.514 -0.767 . . . . 15.0 110.588 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HB3' HH11 ' A' ' 9' ' ' ARG . 5.7 mm-40 -60.76 -50.37 73.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.123 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.065 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 37.7 t90 -63.29 -30.43 71.57 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.579 1.18 . . . . 15.0 111.3 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 46.5 t -60.25 -49.1 78.96 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.098 -1.865 . . . . 15.0 109.415 -177.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.76 36.95 3.96 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.327 -1.109 . . . . 15.0 110.327 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.772 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.771 -0.714 . . . . 15.0 109.933 -173.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.0 t70 . . . . . 0 CA--C 1.462 -2.428 0 CA-C-O 126.666 3.127 . . . . 15.0 110.477 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.53 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.95 -40.33 96.19 Favored 'General case' 1 C--N 1.196 -6.093 1 CA-C-N 103.732 -6.122 . . . . 15.0 110.578 -178.772 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.617 ' HD3' ' OE1' ' A' ' 55' ' ' GLU . 11.4 ptp180 -66.37 -47.85 72.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.061 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.956 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 9.5 m-80 -66.69 -17.41 64.84 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 123.448 0.699 . . . . 15.0 109.622 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.877 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 40.3 mm -61.92 -44.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.924 169.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.584 ' HB2' HD13 ' A' ' 52' ' ' LEU . 5.4 m-85 -72.52 -51.11 21.35 Favored 'General case' 0 C--O 1.175 -2.862 0 CA-C-O 117.028 -1.463 . . . . 15.0 111.976 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.06 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.39 0.2 OUTLIER -39.55 -43.64 1.32 Allowed 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 125.193 1.397 . . . . 15.0 110.256 163.493 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 9.9 tp10 -62.94 -50.49 70.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.244 1.021 . . . . 15.0 109.859 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 1.025 HD12 ' HB3' ' A' ' 39' ' ' ASP . 8.3 mt -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 113.469 -1.696 . . . . 15.0 108.775 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.087 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.7 m-30 -80.1 -24.55 40.48 Favored 'General case' 0 N--CA 1.387 -3.575 0 N-CA-C 107.2 -1.407 . . . . 15.0 107.2 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 13' ' ' PHE . 32.1 t70 -80.44 -45.53 17.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.25 -0.886 . . . . 15.0 109.876 170.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -50.17 -34.52 22.76 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.911 -1.495 . . . . 15.0 111.506 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -113.52 8.01 17.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.777 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 50.43 74.51 0.22 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 114.858 -1.065 . . . . 15.0 111.742 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -82.68 167.8 17.87 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.622 0.725 . . . . 15.0 110.806 -177.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.46 96.61 8.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.553 -1.647 . . . . 15.0 106.553 163.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.953 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.67 -26.38 66.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.704 -1.589 . . . . 15.0 111.156 -171.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.16 -49.26 7.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 15.0 112.007 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -45.87 -79.61 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -168.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.611 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.77 155.02 45.62 Favored 'General case' 0 CA--C 1.467 -2.214 0 CA-C-O 121.949 0.881 . . . . 15.0 109.485 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.0 t-105 -69.77 -51.67 31.9 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 113.449 -1.705 . . . . 15.0 109.421 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.884 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 2.9 p -81.32 -25.18 36.64 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 117.768 2.507 . . . . 15.0 117.768 -173.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.4 OUTLIER -46.84 -35.18 6.04 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 105.348 -2.093 . . . . 15.0 105.348 171.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.922 ' HB3' HD11 ' A' ' 21' ' ' LEU . 7.6 mm-40 -81.63 -50.63 9.1 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.857 -1.974 . . . . 15.0 111.568 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.884 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 5.5 p -73.83 -44.07 56.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.628 2.084 . . . . 15.0 116.628 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.63 -9.8 15.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.262 0.937 . . . . 15.0 109.051 178.573 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 20.3 ptmt -107.71 -42.76 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.292 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.735 HD12 ' HE1' ' A' ' 16' ' ' PHE . 3.1 pt -76.48 -12.52 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.297 -177.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 31' ' ' SER . 5.9 pt-20 -62.04 -27.29 68.78 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.823 0.344 . . . . 15.0 111.826 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -81.22 -2.39 48.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.281 0.562 . . . . 15.0 110.393 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -101.34 143.39 26.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.5 -0.926 . . . . 15.0 108.5 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.61 -3.9 10.01 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.387 2.058 . . . . 15.0 111.223 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 1.078 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 39.9 m-20 -79.59 -29.66 41.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.813 -1.085 . . . . 15.0 111.275 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -65.4 -34.42 78.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 171.39 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -84.71 9.78 13.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.812 -1.085 . . . . 15.0 110.844 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 1.078 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mptt -63.09 -32.32 73.66 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.179 0.514 . . . . 15.0 109.764 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 HD12 HD12 ' A' ' 52' ' ' LEU . 69.3 mt -117.49 138.15 49.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.318 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -68.29 -39.03 82.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.436 -0.347 . . . . 15.0 111.887 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.73 125.83 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.375 0.607 . . . . 15.0 112.015 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 23.0 t70 -78.05 -26.05 48.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.307 -0.86 . . . . 15.0 110.247 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -63.9 -10.79 22.79 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.483 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.4 t -105.93 -25.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.482 177.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.5 mtt180 -58.05 -43.92 87.15 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.666 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.73 -20.92 41.73 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 113.994 1.109 . . . . 15.0 113.994 -179.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -65.2 -9.82 26.6 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.812 -0.755 . . . . 15.0 111.116 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 16.8 mt -73.9 -50.41 20.32 Favored 'General case' 0 CA--C 1.457 -2.601 0 CA-C-O 125.775 2.702 . . . . 15.0 114.273 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.767 ' HD2' ' HZ3' ' A' ' 23' ' ' LYS 0.541 0.0 OUTLIER -72.61 -31.84 65.48 Favored 'General case' 2 C--N 1.199 -5.978 1 CA-C-N 107.344 -4.48 . . . . 15.0 110.072 -165.635 . . . . . . . . 6 4 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 2.3 mt-10 -57.09 -47.66 80.49 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.836 -1.529 . . . . 15.0 109.905 173.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.617 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 36.2 mt-10 -68.71 -50.3 51.93 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.282 -176.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.087 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 48.4 t90 -63.93 -24.29 67.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.183 0.992 . . . . 15.0 111.438 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.0 t -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.654 -1.612 . . . . 15.0 109.743 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.01 43.61 1.68 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 109.874 -1.29 . . . . 15.0 109.874 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.788 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.452 -0.785 . . . . 15.0 110.082 -174.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 123.748 1.737 . . . . 15.0 115.572 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.689 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.49 -37.25 28.22 Favored 'General case' 1 C--N 1.241 -4.123 0 CA-C-N 110.797 -2.911 . . . . 15.0 107.772 174.56 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.664 ' HA ' HD21 ' A' ' 52' ' ' LEU . 34.1 ptt85 -66.47 -50.3 63.76 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.286 -2.234 . . . . 15.0 112.112 -168.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.902 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 41.4 m-80 -65.3 -13.04 57.53 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.485 -173.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.826 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.4 mt -66.47 -50.06 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.789 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.4 m-85 -69.15 -50.61 46.31 Favored 'General case' 0 C--O 1.17 -3.12 0 CA-C-O 117.187 -1.387 . . . . 15.0 112.732 -170.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.065 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.447 0.7 OUTLIER -39.47 -44.77 1.44 Allowed 'General case' 0 N--CA 1.512 2.652 0 C-N-CA 125.738 1.615 . . . . 15.0 111.085 165.985 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.94 -45.23 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.291 -1.003 . . . . 15.0 108.291 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 39' ' ' ASP . 5.6 mt -64.93 -30.62 71.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.121 171.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.054 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.2 m-30 -75.54 -30.08 59.62 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 -170.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -80.49 -41.89 23.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.48 169.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 18' ' ' ARG . 14.1 ttm180 -55.69 -27.72 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.235 -0.893 . . . . 15.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' HD1' ' O ' ' A' ' 15' ' ' LEU . 79.3 m-85 -114.15 9.52 17.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.116 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 44.71 77.96 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.937 -1.029 . . . . 15.0 112.906 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 30' ' ' GLN . 17.4 mt -87.17 -168.78 2.36 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.89 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.901 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 15.8 m-20 -130.8 107.19 8.96 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.031 -1.47 . . . . 15.0 107.031 168.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -82.31 -6.74 59.45 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 114.119 -1.4 . . . . 15.0 110.141 -162.575 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.693 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 66.6 t80 -127.85 -28.81 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.245 -1.343 . . . . 15.0 110.841 -173.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 19.7 m -60.25 -74.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.573 -0.74 . . . . 15.0 111.61 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.16 164.71 27.06 Favored 'General case' 0 CA--C 1.461 -2.451 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 174.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.116 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.7 t-105 -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.097 -1.41 . . . . 15.0 110.312 168.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.833 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.316 2.0 p -81.49 -26.89 34.83 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 118.952 2.945 . . . . 15.0 118.952 -170.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.4 tt -52.05 -30.34 25.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 121.655 2.025 . . . . 15.0 106.073 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.901 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 3.8 mp0 -81.77 -47.3 13.05 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 112.111 -2.313 . . . . 15.0 109.564 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.024 ' HA ' HD13 ' A' ' 34' ' ' ILE 0.253 60.4 p -80.28 -23.98 40.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 118.597 2.814 . . . . 15.0 118.597 -179.135 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 28' ' ' SER . 22.0 ptmt -76.8 -9.98 59.06 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.082 -1.451 . . . . 15.0 107.082 168.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.4 ttmp? -88.61 -70.75 0.63 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.508 -1.678 . . . . 15.0 112.228 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 1.024 HD13 ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -57.85 -27.96 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 113.808 1.04 . . . . 15.0 113.808 -177.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tm-20 -28.54 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.044 1.338 . . . . 15.0 114.31 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.74 29.32 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.381 1.252 . . . . 15.0 114.381 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 35' ' ' GLU . 19.7 m-20 -123.4 142.22 38.21 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' O ' ' HE3' ' A' ' 42' ' ' LYS . 50.3 Cg_exo -55.31 -24.05 40.66 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.064 2.51 . . . . 15.0 112.871 -176.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.881 ' HB3' HD13 ' A' ' 15' ' ' LEU . 17.1 m-20 -71.51 -43.37 66.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.565 -175.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.849 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 82.3 t80 -73.22 -10.08 59.39 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.718 -0.614 . . . . 15.0 109.899 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.25 1.28 57.31 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.628 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.789 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 8.0 mmpt? -54.61 -53.72 50.97 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.111 0.481 . . . . 15.0 110.523 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.689 HD11 ' HB2' ' A' ' 8' ' ' GLU . 44.8 mm -91.02 130.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.259 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -59.32 -51.38 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.805 . . . . 15.0 111.413 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -83.06 123.25 29.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.271 0.558 . . . . 15.0 111.235 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.7 t70 -76.26 -29.01 57.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.398 -0.819 . . . . 15.0 110.584 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.409 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 10.7 t -73.24 2.02 8.21 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.249 0.547 . . . . 15.0 111.144 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.645 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.0 t -106.73 -28.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.707 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 96.0 mtt180 -57.3 -42.81 82.48 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 115.195 -0.911 . . . . 15.0 111.642 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.116 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.51 -31.77 37.06 Favored 'General case' 0 N--CA 1.432 -1.367 0 C-N-CA 119.171 -1.012 . . . . 15.0 112.791 -176.238 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 m -63.7 -9.78 15.88 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.341 0.591 . . . . 15.0 110.157 171.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.707 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 25.3 mt -70.6 -50.17 39.99 Favored 'General case' 0 CA--C 1.464 -2.341 0 CA-C-O 125.39 2.519 . . . . 15.0 113.961 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.726 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.533 0.0 OUTLIER -79.87 -28.76 39.94 Favored 'General case' 2 C--N 1.204 -5.723 1 CA-C-N 107.955 -4.202 . . . . 15.0 110.624 -158.567 . . . . . . . . 6 4 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 1.6 mt-10 -60.76 -36.8 79.86 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 112.935 -1.939 . . . . 15.0 109.919 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.65 -50.17 39.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.289 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.065 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 23.5 t90 -69.62 -14.42 62.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.596 1.188 . . . . 15.0 111.223 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' ' 24' ' ' PHE . 14.2 t -62.85 -50.24 71.71 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 113.782 -1.554 . . . . 15.0 110.124 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.3 26.85 21.57 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.025 -1.23 . . . . 15.0 110.025 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 1.007 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.1 tp10 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.225 -0.988 . . . . 15.0 110.058 -173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 CA--C 1.47 -2.118 0 CA-C-O 126.911 3.243 . . . . 15.0 110.189 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.498 ' HB2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.79 -30.71 40.68 Favored 'General case' 1 C--N 1.197 -6.033 1 CA-C-N 103.694 -6.139 . . . . 15.0 111.05 -176.562 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.729 ' HA ' HD21 ' A' ' 52' ' ' LEU . 18.1 ptt180 -57.23 -50.34 73.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.513 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.932 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 43.1 m-80 -62.72 -19.72 64.2 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.943 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.831 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.0 mt -58.98 -49.44 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.773 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 3.7 m-85 -70.38 -51.02 32.8 Favored 'General case' 0 C--O 1.17 -3.112 0 CA-C-O 116.621 -1.657 . . . . 15.0 112.385 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.091 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.368 0.3 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 N--CA 1.511 2.584 0 C-N-CA 125.423 1.489 . . . . 15.0 110.631 165.239 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.38 -43.26 86.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.044 -0.354 . . . . 15.0 110.044 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 1.048 HD12 ' HB3' ' A' ' 39' ' ' ASP . 9.7 mt -64.71 -31.61 72.91 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 170.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.067 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.5 m-30 -75.91 -29.86 58.55 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 108.453 -0.943 . . . . 15.0 108.453 -169.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.23 -46.12 16.81 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.995 -1.002 . . . . 15.0 110.803 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.92 -28.91 62.58 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.927 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -111.09 11.56 21.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.08 -0.711 . . . . 15.0 109.08 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.6 mptp? 48.28 84.51 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 114.564 -1.198 . . . . 15.0 112.972 175.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.931 HD13 ' HB3' ' A' ' 30' ' ' GLN . 48.5 mt -97.45 147.85 23.8 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 122.487 1.137 . . . . 15.0 111.36 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 5.2 m-20 -87.06 81.99 7.88 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 112.669 -2.06 . . . . 15.0 105.818 168.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.991 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -53.65 -19.81 4.49 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.39 -2.187 . . . . 15.0 112.985 -163.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -108.47 -3.71 17.91 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 t -79.4 -76.56 0.2 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.861 0.362 . . . . 15.0 111.206 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -136.07 161.9 34.42 Favored 'General case' 0 CA--C 1.456 -2.67 0 N-CA-C 107.798 -1.186 . . . . 15.0 107.798 174.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.149 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 5.4 t-105 -67.53 -52.9 33.42 Favored 'General case' 0 C--N 1.269 -2.923 0 C-N-CA 117.096 -1.842 . . . . 15.0 109.957 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.789 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.448 2.7 p -82.86 -30.62 28.48 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 120.556 3.539 . . . . 15.0 120.556 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.6 OUTLIER -48.02 -34.05 8.85 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 105.524 -2.028 . . . . 15.0 105.524 177.488 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.931 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -82.28 -50.75 8.61 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 112.783 -2.008 . . . . 15.0 111.704 173.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.761 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 95.1 p -74.1 -14.65 61.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.327 1.603 . . . . 15.0 115.327 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.789 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 11.0 mmmm -65.56 -9.54 27.36 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 166.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 8.7 mtpm? -102.55 -9.88 19.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.312 -171.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.712 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -113.49 -27.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.706 -1.134 . . . . 15.0 109.093 173.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.657 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 23.3 tt0 -27.68 -83.78 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.966 1.307 . . . . 15.0 114.471 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 15.0 112.154 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 1.9 m-20 -93.89 141.92 24.37 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.955 -0.757 . . . . 15.0 108.955 174.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.68 -25.72 35.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.96 2.44 . . . . 15.0 113.053 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 1.048 ' HB3' HD12 ' A' ' 15' ' ' LEU . 16.5 m-20 -80.04 -25.57 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.496 0.554 . . . . 15.0 112.496 -174.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 48.2 t80 -71.27 -23.0 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -88.52 7.95 30.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.215 -0.902 . . . . 15.0 110.827 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.773 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 32.1 mmtp -66.67 -28.54 68.54 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.422 -0.585 . . . . 15.0 109.422 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 12' ' ' PHE . 37.6 mm -110.67 126.88 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.514 -0.767 . . . . 15.0 109.792 175.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.3 -59.69 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.966 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.29 116.44 20.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.471 -0.786 . . . . 15.0 111.22 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 24.3 t70 -63.21 -29.88 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.454 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -2.46 17.57 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.305 0.574 . . . . 15.0 110.878 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 58.0 t -104.99 -24.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 15.0 109.792 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.735 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -64.07 -48.21 77.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.35 0.595 . . . . 15.0 111.003 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.149 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.75 -9.86 59.77 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.273 1.035 . . . . 15.0 113.28 178.017 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.713 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 21.4 m -74.06 -9.42 58.61 Favored 'General case' 0 C--N 1.277 -2.566 0 O-C-N 121.709 -0.619 . . . . 15.0 110.076 161.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.735 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 47.2 mt -77.54 -50.07 13.37 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-O 125.191 2.424 . . . . 15.0 113.847 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.691 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.52 0.0 OUTLIER -79.91 -32.87 40.21 Favored 'General case' 2 C--N 1.204 -5.747 0 CA-C-N 108.666 -3.879 . . . . 15.0 109.4 -162.311 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.713 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 4.1 pt-20 -59.13 -33.85 71.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 112.729 -2.032 . . . . 15.0 110.597 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 26.9 mt-10 -80.34 -50.46 10.12 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 111.932 0.345 . . . . 15.0 111.932 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.091 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 30.7 t90 -62.72 -19.92 64.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.068 0.937 . . . . 15.0 111.404 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.4 t -62.98 -49.99 72.51 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.129 -1.396 . . . . 15.0 110.171 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.43 45.78 1.27 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.817 -1.313 . . . . 15.0 109.817 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.869 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.592 -0.718 . . . . 15.0 109.903 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 CA--C 1.466 -2.271 0 CA-C-O 126.491 3.043 . . . . 15.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.83 -25.24 58.86 Favored 'General case' 1 C--N 1.197 -6.041 1 CA-C-N 104.6 -5.727 . . . . 15.0 109.26 -178.939 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.871 ' HA ' HD21 ' A' ' 52' ' ' LEU . 19.9 ptt180 -54.01 -50.41 66.68 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.74 -1.118 . . . . 15.0 110.567 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.946 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 36.7 m-80 -62.57 -20.53 64.79 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.093 -175.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.838 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.0 mm -61.3 -44.18 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 174.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.748 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -77.09 -50.76 12.32 Favored 'General case' 0 C--O 1.172 -3.022 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.835 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.058 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.374 0.2 OUTLIER -39.17 -44.33 1.19 Allowed 'General case' 0 N--CA 1.511 2.616 0 CA-C-N 120.404 1.456 . . . . 15.0 110.117 164.639 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 1.1 tm-20 -64.71 -48.12 75.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.174 -0.676 . . . . 15.0 109.174 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.6 mt -63.78 -31.04 72.08 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.39 171.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.037 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.1 m-30 -77.49 -26.36 51.2 Favored 'General case' 0 N--CA 1.398 -3.038 0 N-CA-C 107.809 -1.182 . . . . 15.0 107.809 -168.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.23 -45.9 17.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.813 -1.085 . . . . 15.0 110.11 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -62.6 -21.88 65.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.739 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.82 7.34 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.731 -0.47 . . . . 15.0 109.731 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 45.54 67.53 0.72 Allowed 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.722 -1.126 . . . . 15.0 112.571 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD12 ' HB3' ' A' ' 30' ' ' GLN . 25.4 mt -81.87 144.41 31.02 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 122.296 1.046 . . . . 15.0 111.162 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -82.91 86.37 6.96 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 113.007 -1.906 . . . . 15.0 106.36 170.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.985 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -59.08 -27.77 65.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.084 -1.871 . . . . 15.0 111.854 -165.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -96.48 -14.97 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.621 0.6 . . . . 15.0 112.621 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -69.44 -74.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.136 0.493 . . . . 15.0 111.405 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -148.85 161.62 41.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 107.802 -1.185 . . . . 15.0 107.802 179.198 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.161 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.5 t-105 -68.87 -52.44 29.65 Favored 'General case' 0 C--N 1.271 -2.826 0 C-N-CA 116.963 -1.895 . . . . 15.0 109.455 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.828 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.373 3.0 p -82.44 -24.34 34.36 Favored 'General case' 0 N--CA 1.423 -1.798 0 N-CA-C 119.718 3.229 . . . . 15.0 119.718 -176.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 4.1 tt -51.85 -33.16 35.06 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 105.087 -2.19 . . . . 15.0 105.087 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.922 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -82.43 -50.21 9.12 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.444 -2.162 . . . . 15.0 111.279 175.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.828 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 11.2 p -78.55 -10.14 59.61 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 117.207 2.299 . . . . 15.0 117.207 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.726 ' HZ3' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.01 -9.82 59.72 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 169.166 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.683 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 48.2 mmtt -85.49 -68.41 0.73 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.054 -1.884 . . . . 15.0 111.029 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.905 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -57.76 -31.58 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -176.205 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.823 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -38.12 117.15 0.58 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.205 1.003 . . . . 15.0 112.599 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 87.16 -0.06 0.52 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 112.087 -2.324 . . . . 15.0 111.249 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -90.39 143.17 28.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.006 -0.739 . . . . 15.0 109.006 170.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.94 -27.57 64.17 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.911 2.408 . . . . 15.0 113.018 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.712 ' HB3' HD12 ' A' ' 15' ' ' LEU . 3.2 m-20 -62.66 -48.77 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.174 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.905 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 54.5 t80 -70.09 -11.35 60.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.826 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -94.38 4.4 53.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.623 -0.262 . . . . 15.0 111.568 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.599 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 64.2 mmtt -63.35 -44.81 93.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.63 0.253 . . . . 15.0 111.292 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.748 HG12 ' CE1' ' A' ' 12' ' ' PHE . 36.2 mm -89.26 131.07 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -58.26 -43.92 88.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.035 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.55 123.55 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.443 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.487 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 22.4 t70 -77.52 -21.98 51.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.126 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -74.39 -2.42 25.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.335 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 87.2 t -110.43 -24.57 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.244 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 95.6 mtt180 -56.29 -49.77 73.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.29 0.567 . . . . 15.0 111.422 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.161 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.95 -10.28 59.73 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 113.882 1.067 . . . . 15.0 113.882 177.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.8 m -76.83 -9.73 58.88 Favored 'General case' 0 C--N 1.28 -2.455 0 C-N-CA 119.463 -0.895 . . . . 15.0 110.138 163.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.871 HD21 ' HA ' ' A' ' 9' ' ' ARG . 32.7 mt -75.58 -44.46 43.04 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 125.191 2.424 . . . . 15.0 114.126 -174.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.641 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.517 0.0 OUTLIER -79.74 -28.94 40.43 Favored 'General case' 2 C--N 1.204 -5.757 0 CA-C-N 108.534 -3.939 . . . . 15.0 110.038 -160.854 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.56 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -56.06 -38.13 70.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.065 -1.879 . . . . 15.0 109.81 171.362 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.05 -50.69 18.54 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.568 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.058 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.2 t90 -68.25 -18.93 64.67 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.039 . . . . 15.0 111.01 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.23 -47.78 75.59 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 113.409 -1.723 . . . . 15.0 109.258 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.73 40.29 2.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.12 -1.192 . . . . 15.0 110.12 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.903 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.085 -173.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 CA--C 1.471 -2.069 0 CA-C-O 126.602 3.096 . . . . 15.0 111.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.481 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -79.94 -18.59 50.08 Favored 'General case' 1 C--N 1.196 -6.101 1 CA-C-N 104.775 -5.648 . . . . 15.0 110.564 179.775 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' HD23 ' A' ' 52' ' ' LEU . 15.2 ptt180 -58.45 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.505 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.942 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 39.1 m-80 -63.45 -22.46 66.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.125 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.799 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.7 mt -60.43 -46.9 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.842 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 2.7 m-85 -70.48 -50.76 34.67 Favored 'General case' 0 C--O 1.173 -2.946 0 CA-C-O 116.655 -1.64 . . . . 15.0 112.291 -174.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.041 ' CG ' ' HB2' ' A' ' 56' ' ' TRP 0.4 0.4 OUTLIER -39.32 -47.03 1.67 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.024 1.33 . . . . 15.0 110.439 164.14 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.25 -39.34 86.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.936 0.398 . . . . 15.0 110.256 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.799 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 11.1 mt -70.58 -28.9 65.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 171.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.06 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.0 m-30 -79.86 -25.3 40.75 Favored 'General case' 0 N--CA 1.393 -3.302 0 N-CA-C 106.804 -1.554 . . . . 15.0 106.804 -171.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' PHE . 31.9 t70 -80.33 -46.55 15.93 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.202 . . . . 15.0 109.864 171.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.8 ttp180 -59.05 -24.61 63.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.598 -1.183 . . . . 15.0 111.183 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -105.1 -2.59 24.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.592 -0.443 . . . . 15.0 109.826 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.773 ' HB2' ' HZ1' ' A' ' 20' ' ' LYS . 5.2 mtmp? 54.39 72.53 0.45 Allowed 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.457 -0.792 . . . . 15.0 110.654 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.927 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -82.63 166.13 19.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 121.679 0.752 . . . . 15.0 110.456 -177.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.58 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 19.0 m-20 -96.32 86.09 4.12 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.817 -1.549 . . . . 15.0 106.817 166.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.994 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.52 -31.21 71.95 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 112.772 -2.013 . . . . 15.0 110.941 -169.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -101.13 -2.29 31.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.847 -0.615 . . . . 15.0 112.619 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 t -80.74 -79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.087 0.47 . . . . 15.0 110.773 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -144.53 153.1 41.49 Favored 'General case' 0 CA--C 1.467 -2.236 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.128 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 14.8 t-105 -67.23 -51.41 53.52 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 113.845 -1.525 . . . . 15.0 109.233 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.823 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.268 2.3 p -81.28 -23.84 37.65 Favored 'General case' 0 N--CA 1.416 -2.128 0 N-CA-C 117.414 2.376 . . . . 15.0 117.414 -173.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 29' ' ' LEU . 6.7 tt -53.52 -28.72 32.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.532 -2.025 . . . . 15.0 105.532 173.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.927 ' HB3' HD11 ' A' ' 21' ' ' LEU . 9.3 mm-40 -81.67 -50.32 9.45 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 113.179 -1.828 . . . . 15.0 110.569 173.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.087 ' HA ' HD12 ' A' ' 34' ' ' ILE . 54.4 p -78.64 -24.71 45.11 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 117.866 2.543 . . . . 15.0 117.866 -175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' SER . 9.3 ptmm? -80.16 -10.69 59.77 Favored 'General case' 0 C--N 1.313 -1.022 0 O-C-N 120.609 -1.307 . . . . 15.0 107.496 166.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.649 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 62.7 tttp -86.02 -67.59 0.8 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.76 -1.564 . . . . 15.0 112.105 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 1.087 HD12 ' HA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -52.97 -45.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 120.923 0.392 . . . . 15.0 111.774 -177.314 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.752 ' H ' HD11 ' A' ' 34' ' ' ILE . 2.4 tm-20 17.92 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.534 1.934 . . . . 15.0 114.934 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.445 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 6.9 p30 -72.82 5.53 3.15 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.227 1.195 . . . . 15.0 114.227 -172.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.03 144.16 67.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.015 -0.428 . . . . 15.0 110.597 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.98 -27.74 55.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.322 2.681 . . . . 15.0 112.407 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' CG ' HH21 ' A' ' 18' ' ' ARG . 1.1 m-20 -62.2 -50.01 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.321 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.865 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 73.7 t80 -74.99 -10.16 59.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.107 0.48 . . . . 15.0 110.722 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 36' ' ' ASN . 17.3 m-30 -100.16 10.58 41.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.444 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.842 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.3 mmtt -69.84 -21.97 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.207 0.527 . . . . 15.0 110.199 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.735 HD12 HD12 ' A' ' 52' ' ' LEU . 72.0 mt -122.17 125.96 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.818 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.609 . . . . 15.0 112.392 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.58 119.44 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.205 0.526 . . . . 15.0 111.624 -174.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 26.4 t70 -72.78 -25.51 61.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.09 -0.959 . . . . 15.0 110.316 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.06 1.28 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 15.0 111.984 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.4 t -107.03 -26.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 172.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.663 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.9 mtt180 -60.34 -48.76 80.35 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.856 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.128 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.82 -14.04 58.4 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 114.057 1.132 . . . . 15.0 114.057 179.313 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -71.62 -9.68 58.62 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.56 -0.856 . . . . 15.0 110.378 165.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 9' ' ' ARG . 49.1 mt -76.97 -50.4 13.29 Favored 'General case' 0 CA--C 1.46 -2.504 0 CA-C-O 125.959 2.79 . . . . 15.0 113.713 -174.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.845 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.537 0.0 OUTLIER -70.24 -30.63 67.73 Favored 'General case' 2 C--N 1.2 -5.897 1 CA-C-N 107.108 -4.587 . . . . 15.0 110.193 -165.627 . . . . . . . . 6 4 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -55.87 -50.12 71.48 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.841 -1.527 . . . . 15.0 109.77 172.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.72 -48.81 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.154 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.06 ' CH2' ' HB3' ' A' ' 16' ' ' PHE . 61.1 t90 -71.39 -20.46 62.14 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.177 0.989 . . . . 15.0 111.656 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.76 -50.05 47.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.822 -1.081 . . . . 15.0 109.232 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.79 41.18 2.27 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.078 -1.209 . . . . 15.0 110.078 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.701 -0.749 . . . . 15.0 109.43 -173.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 CA--C 1.468 -2.18 0 CA-C-O 126.657 3.122 . . . . 15.0 110.775 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -68.08 -30.61 69.84 Favored 'General case' 1 C--N 1.199 -5.96 2 CA-C-N 103.788 -6.096 . . . . 15.0 109.969 -179.938 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.673 ' HA ' HD23 ' A' ' 52' ' ' LEU . 19.4 ptt180 -54.29 -50.14 68.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.113 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.945 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 26.2 m-80 -61.87 -19.86 63.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.663 -0.698 . . . . 15.0 110.904 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.833 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 70.4 mt -60.47 -45.69 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.386 -0.598 . . . . 15.0 109.386 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.69 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -73.63 -51.08 17.99 Favored 'General case' 0 C--O 1.176 -2.803 0 CA-C-O 116.828 -1.558 . . . . 15.0 112.447 -173.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.056 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.341 0.2 OUTLIER -39.73 -44.19 1.52 Allowed 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 124.822 1.249 . . . . 15.0 110.155 163.828 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.73 -50.01 68.57 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.504 0.669 . . . . 15.0 109.459 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 39' ' ' ASP . 12.2 mt -60.55 -31.6 70.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.89 -1.05 . . . . 15.0 108.835 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.053 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.3 m-30 -79.98 -26.58 39.87 Favored 'General case' 0 N--CA 1.389 -3.489 0 N-CA-C 107.575 -1.269 . . . . 15.0 107.575 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.54 -45.22 17.78 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.927 171.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 18' ' ' ARG . 32.2 ttt85 -60.58 -24.9 65.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.592 -1.186 . . . . 15.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -104.74 1.02 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.298 -1.001 . . . . 15.0 108.298 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 1.0 OUTLIER 39.59 83.17 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.978 -1.465 . . . . 15.0 111.941 -175.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.98 HD13 ' HB3' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -86.32 164.42 17.11 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 114.295 -1.321 . . . . 15.0 110.073 -177.026 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.69 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 15.7 m-20 -90.56 79.61 6.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.049 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.84 -28.87 70.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.018 -2.356 . . . . 15.0 110.876 -169.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -106.6 28.74 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.838 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -117.77 -80.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -142.06 154.56 45.05 Favored 'General case' 0 CA--C 1.47 -2.119 0 CA-C-O 121.777 0.799 . . . . 15.0 109.092 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.136 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.8 t-105 -68.53 -51.48 42.56 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.677 -1.602 . . . . 15.0 109.494 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.836 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.284 2.6 p -81.31 -23.76 37.62 Favored 'General case' 0 N--CA 1.412 -2.359 0 N-CA-C 117.005 2.224 . . . . 15.0 117.005 -173.147 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 tp -49.2 -32.57 10.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.096 -1.816 . . . . 15.0 106.096 170.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.98 ' HB3' HD13 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.8 -50.44 9.23 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.63 -2.077 . . . . 15.0 111.396 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.957 ' HA ' HD12 ' A' ' 34' ' ' ILE . 16.4 p -79.1 -20.78 47.84 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 117.529 2.418 . . . . 15.0 117.529 -175.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -80.24 -15.61 56.6 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.058 -1.46 . . . . 15.0 107.058 165.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 52.7 tttp -84.01 -63.08 1.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 113.394 -1.73 . . . . 15.0 112.516 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.957 HD12 ' HA ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -56.67 -34.77 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -176.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.911 ' H ' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -36.62 139.2 0.19 Allowed 'General case' 0 N--CA 1.428 -1.538 0 CA-C-O 123.388 1.566 . . . . 15.0 112.57 173.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 t30 81.29 -20.45 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 110.02 -3.264 . . . . 15.0 111.549 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 52.7 m-20 -79.02 144.45 63.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.126 -0.359 . . . . 15.0 110.084 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 26.5 Cg_exo -62.36 -13.7 34.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.656 2.238 . . . . 15.0 112.602 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.946 ' HB3' HD11 ' A' ' 15' ' ' LEU . 53.7 m-20 -80.12 -37.03 34.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -175.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.677 ' CG ' HD13 ' A' ' 34' ' ' ILE . 30.8 t80 -65.54 -30.31 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.226 -0.59 . . . . 15.0 111.133 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.725 ' CZ ' ' HA ' ' A' ' 38' ' ' PRO . 12.3 p90 -99.3 25.96 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.881 -0.728 . . . . 15.0 111.549 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 35.6 mmtm -63.6 -30.92 71.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.263 0.554 . . . . 15.0 109.791 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.69 HG12 ' CE1' ' A' ' 12' ' ' PHE . 39.5 mm -103.03 135.54 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.117 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -58.0 -29.63 65.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.354 -0.839 . . . . 15.0 112.714 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.593 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.5 m-20 -117.84 146.07 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.491 0.663 . . . . 15.0 111.642 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.9 t70 -92.56 -28.8 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 15.0 111.116 -175.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -80.93 16.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.93 0.871 . . . . 15.0 109.998 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.677 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 t -117.35 -22.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.947 -1.024 . . . . 15.0 108.513 169.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.0 mtt180 -63.67 -47.93 79.26 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.139 -0.937 . . . . 15.0 111.255 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.136 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.58 -9.81 59.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.695 0.998 . . . . 15.0 113.695 177.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 m -76.42 -9.7 58.85 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 119.567 -0.853 . . . . 15.0 110.615 162.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 49.6 mt -76.11 -46.71 27.55 Favored 'General case' 0 CA--C 1.466 -2.278 0 CA-C-O 125.053 2.359 . . . . 15.0 114.02 -174.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.629 ' HD1' ' CD ' ' A' ' 23' ' ' LYS 0.506 0.1 OUTLIER -80.06 -31.58 39.4 Favored 'General case' 2 C--N 1.203 -5.766 0 CA-C-N 108.687 -3.869 . . . . 15.0 110.312 -162.363 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.76 -45.59 74.22 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.718 -1.583 . . . . 15.0 109.331 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.38 -50.49 45.65 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.567 -0.742 . . . . 15.0 112.305 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.056 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 33.4 t90 -66.08 -19.59 65.9 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.143 0.973 . . . . 15.0 111.175 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.417 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 53.3 t -64.83 -45.89 84.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.026 -1.443 . . . . 15.0 109.774 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.27 24.99 10.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.519 -1.033 . . . . 15.0 110.519 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.92 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.46 -0.87 . . . . 15.0 109.864 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 CA--C 1.467 -2.236 0 CA-C-O 126.672 3.13 . . . . 15.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.92 -30.59 71.19 Favored 'General case' 1 C--N 1.198 -6.005 1 CA-C-N 104.124 -5.944 . . . . 15.0 110.538 -178.994 . . . . . . . . 5 4 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.762 ' HA ' HD23 ' A' ' 52' ' ' LEU . 47.1 ptt85 -55.25 -50.35 69.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.769 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.964 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 24.6 m-80 -59.29 -25.67 64.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.589 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.756 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.4 mt -54.89 -50.09 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 O-C-N 123.499 0.5 . . . . 15.0 109.657 173.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.606 ' CD2' HD11 ' A' ' 52' ' ' LEU . 3.7 m-85 -71.6 -50.86 26.93 Favored 'General case' 0 C--O 1.167 -3.237 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.293 -172.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.044 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.38 0.3 OUTLIER -39.71 -47.39 2.02 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.425 1.466 . . . . 15.0 110.594 165.618 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 10' ' ' ASN . 38.2 mt-10 -69.41 -39.41 77.94 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.582 -0.447 . . . . 15.0 109.983 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -66.32 -32.37 73.73 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 107.813 -1.18 . . . . 15.0 107.813 169.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 1.054 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.5 m-30 -77.97 -24.61 48.02 Favored 'General case' 0 N--CA 1.392 -3.346 0 N-CA-C 107.532 -1.284 . . . . 15.0 107.532 -168.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.9 t70 -80.47 -44.85 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.481 0.658 . . . . 15.0 109.994 170.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -58.93 -27.45 65.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.702 -1.136 . . . . 15.0 110.899 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.723 ' HD2' ' HZ3' ' A' ' 33' ' ' LYS . 6.3 m-85 -106.23 11.56 31.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm 39.6 70.08 0.25 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.852 1.345 . . . . 15.0 112.055 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.8 OUTLIER -79.08 165.5 23.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.442 -175.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.559 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 5.2 m-20 -97.73 87.31 4.01 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.563 -1.643 . . . . 15.0 106.563 165.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.988 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.09 -30.0 71.25 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 112.617 -2.083 . . . . 15.0 110.876 -169.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -87.91 -30.4 20.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.522 0.564 . . . . 15.0 112.522 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -63.47 -80.59 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.52 154.47 47.68 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-O 121.854 0.835 . . . . 15.0 109.27 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 1.117 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.4 t-105 -66.53 -51.56 55.23 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 113.597 -1.638 . . . . 15.0 108.932 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.875 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.283 5.5 p -81.36 -31.96 33.14 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 117.608 2.447 . . . . 15.0 117.608 -172.173 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 33.9 tp -49.83 -27.98 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 175.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.977 ' HB3' HD11 ' A' ' 21' ' ' LEU . 8.2 mm-40 -82.06 -50.31 9.22 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 112.851 -1.977 . . . . 15.0 111.186 170.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.875 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 57.7 p -80.18 -40.9 26.32 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.759 2.133 . . . . 15.0 116.759 -173.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.789 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.9 ptmm? -64.82 -9.66 22.35 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.965 -1.124 . . . . 15.0 107.965 170.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.723 ' HZ3' ' HD2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -99.09 -51.87 3.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.593 -1.185 . . . . 15.0 110.614 177.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.685 HD12 ' HE1' ' A' ' 16' ' ' PHE . 4.0 pt -73.06 -5.6 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.333 0.587 . . . . 15.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.962 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 9.2 tt0 -45.76 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.419 -1.264 . . . . 15.0 112.242 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -27.34 5.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.966 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 28.3 m-20 -68.17 158.41 84.31 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 15.0 110.875 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.94 2.41 4.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.02 1.813 . . . . 15.0 110.745 168.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.587 ' HB3' ' HB ' ' A' ' 34' ' ' ILE . 9.1 t0 -67.76 -50.5 56.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.912 -1.04 . . . . 15.0 109.674 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.962 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.59 -44.47 85.41 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.238 175.447 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.89 9.74 3.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.152 -0.931 . . . . 15.0 113.099 -165.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 70.5 mmtt -77.68 -25.9 49.87 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.46 -0.571 . . . . 15.0 109.46 172.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.631 HD12 HD12 ' A' ' 52' ' ' LEU . 75.9 mt -127.46 126.34 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.358 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 14.0 ptt180 -65.46 -42.87 91.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 15.0 111.348 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.534 ' N ' ' HG3' ' A' ' 44' ' ' ARG . 9.3 m-20 -77.13 106.42 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.197 0.523 . . . . 15.0 111.234 -174.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 25.6 t70 -67.67 -23.94 65.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -73.4 -6.31 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 15.0 111.339 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.9 t -104.45 -28.82 2.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.592 -0.522 . . . . 15.0 109.592 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 89.2 mtt180 -55.52 -49.44 72.59 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.018 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.117 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.81 -10.12 59.75 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.278 1.214 . . . . 15.0 114.278 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.7 m -71.98 -9.5 58.45 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.183 -1.007 . . . . 15.0 110.446 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 9' ' ' ARG . 19.8 mt -76.86 -50.08 14.23 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-O 125.333 2.492 . . . . 15.0 113.895 -173.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.697 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.518 0.0 OUTLIER -78.14 -29.99 49.04 Favored 'General case' 2 C--N 1.199 -5.965 0 CA-C-N 108.415 -3.993 . . . . 15.0 110.161 -163.636 . . . . . . . . 5 4 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -47.31 69.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.933 -1.485 . . . . 15.0 109.428 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.781 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 23.4 mm-40 -75.24 -50.54 15.81 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.668 -0.696 . . . . 15.0 112.018 -172.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 1.054 ' CH2' ' HB3' ' A' ' 16' ' ' PHE . 41.8 t90 -60.98 -23.56 65.45 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.546 1.165 . . . . 15.0 111.312 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.504 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 42.8 t -68.74 -50.36 51.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.528 -1.669 . . . . 15.0 111.167 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.96 41.87 2.06 Favored Glycine 0 CA--C 1.495 -1.166 0 N-CA-C 109.211 -1.555 . . . . 15.0 109.211 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.781 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 20.5 tt0 . . . . . 0 N--CA 1.435 -1.184 0 CA-C-N 114.626 -0.787 . . . . 15.0 110.898 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.544 0.688 . . . . 15.0 109.587 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.52 HG23 ' HD3' ' A' ' 9' ' ' ARG . 42.8 pt 41.4 93.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 114.308 -1.315 . . . . 15.0 113.92 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -174.72 -48.66 0.01 OUTLIER 'General case' 0 CA--C 1.471 -2.072 0 CA-C-O 126.573 3.082 . . . . 15.0 111.283 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.44 -24.59 46.0 Favored 'General case' 1 C--N 1.198 -6.018 1 CA-C-N 104.448 -5.797 . . . . 15.0 109.914 -179.906 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HD3' HG23 ' A' ' 6' ' ' ILE . 22.0 ptt180 -56.11 -50.18 71.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.669 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.967 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 42.7 m-80 -60.95 -19.81 61.39 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.066 -176.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.833 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mm -59.46 -44.74 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 172.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.685 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.7 m-85 -74.58 -51.11 15.47 Favored 'General case' 0 C--O 1.175 -2.838 0 CA-C-O 117.129 -1.415 . . . . 15.0 112.875 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.124 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.57 -45.18 1.57 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.015 1.326 . . . . 15.0 110.202 162.969 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 12.6 tp10 -63.38 -50.24 70.68 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 39' ' ' ASP . 7.0 mt -59.99 -32.54 70.94 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.215 -0.902 . . . . 15.0 108.965 171.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.081 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m-30 -77.7 -30.65 51.94 Favored 'General case' 0 N--CA 1.392 -3.352 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 -167.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.56 -37.49 31.32 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.731 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -49.81 -35.51 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.166 -0.925 . . . . 15.0 111.175 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -111.27 12.85 21.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.08 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.61 76.77 0.05 Allowed 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 124.518 1.136 . . . . 15.0 112.174 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 30' ' ' GLN . 23.3 mt -77.03 -171.36 1.97 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.161 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.985 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 7.4 t70 -119.41 106.03 11.86 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 107.85 -1.167 . . . . 15.0 107.85 160.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.031 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -75.35 -0.54 20.16 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.199 -1.364 . . . . 15.0 110.435 -170.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.49 -47.14 2.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 35.6 t -47.24 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.535 0.734 . . . . 15.0 111.997 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.45 157.99 45.51 Favored 'General case' 0 CA--C 1.458 -2.588 0 N-CA-C 108.34 -0.985 . . . . 15.0 108.34 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.138 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.1 t-105 -72.91 -52.03 16.26 Favored 'General case' 0 C--N 1.27 -2.88 0 C-N-CA 117.409 -1.716 . . . . 15.0 109.046 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.874 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.303 6.0 p -82.19 -34.69 28.88 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 118.554 2.798 . . . . 15.0 118.554 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 13.4 tp -48.76 -31.16 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.348 -1.723 . . . . 15.0 106.348 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.985 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -82.08 -47.57 12.43 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 112.703 -2.044 . . . . 15.0 110.454 172.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.874 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 65.2 p -79.6 -40.36 29.53 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.898 2.184 . . . . 15.0 116.898 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.6 ptmm? -64.56 -9.37 18.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.328 -0.99 . . . . 15.0 108.328 171.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 23.6 ttmm -92.52 -40.45 10.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 113.995 -1.457 . . . . 15.0 109.584 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.694 HD12 ' CD1' ' A' ' 40' ' ' PHE . 2.0 pt -86.39 -4.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.564 0.697 . . . . 15.0 109.867 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.903 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tt0 -44.61 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.957 -1.474 . . . . 15.0 114.023 -175.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.486 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 9.1 t30 -47.95 -25.13 1.24 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.595 -1.184 . . . . 15.0 112.94 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 5.0 m-20 -63.57 132.49 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.157 -0.312 . . . . 15.0 110.157 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.43 -13.11 9.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.914 2.409 . . . . 15.0 112.451 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.977 ' HB3' HD11 ' A' ' 15' ' ' LEU . 8.0 m-20 -80.07 -29.04 39.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.063 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.903 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 2.0 t80 -61.6 -27.66 68.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.535 -0.913 . . . . 15.0 108.535 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -93.75 12.37 25.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.063 -0.971 . . . . 15.0 111.441 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 36.6 mmtm -59.45 -38.46 80.81 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.623 HG23 ' H ' ' A' ' 45' ' ' ASP . 47.0 mm -117.02 130.31 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.817 -1.083 . . . . 15.0 108.929 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.53 -9.36 59.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 15.0 110.126 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 43' ' ' ILE . 5.9 m-20 -91.18 101.9 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.388 -0.824 . . . . 15.0 109.671 177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 27.2 t70 -66.81 -29.36 69.28 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -65.94 -13.67 60.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.587 -0.733 . . . . 15.0 111.415 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.42 ' O ' HD11 ' A' ' 52' ' ' LEU . 87.6 t -100.95 -33.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 15.0 110.046 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.786 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.1 mtt180 -53.02 -50.0 65.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.645 -0.707 . . . . 15.0 111.738 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.138 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.04 -27.03 39.5 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.007 -1.077 . . . . 15.0 112.606 -175.125 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.511 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -60.7 -12.54 10.72 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 120.148 -0.621 . . . . 15.0 110.395 168.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.786 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.36 -51.13 9.23 Favored 'General case' 0 CA--C 1.461 -2.442 0 CA-C-O 125.829 2.728 . . . . 15.0 113.64 -172.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.543 1.6 t80 -48.74 -43.19 37.34 Favored 'General case' 2 C--N 1.2 -5.893 1 CA-C-N 106.498 -4.865 . . . . 15.0 112.623 175.007 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -69.74 -37.24 76.4 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.474 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.6 mt-10 -72.33 -50.63 25.43 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 118.792 -1.163 . . . . 15.0 109.631 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.124 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.8 t90 -58.08 -27.74 63.93 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.049 0.928 . . . . 15.0 111.461 -177.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -56.64 -41.36 77.04 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.549 -1.659 . . . . 15.0 109.351 -175.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' SG ' ' A' ' 57' ' ' CYS . . . -134.34 40.4 1.58 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.635 -1.386 . . . . 15.0 109.635 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.812 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.255 -0.973 . . . . 15.0 109.679 -172.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.717 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 34.8 pt 42.91 86.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 124.697 1.248 . . . . 15.0 111.24 -169.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.9 p30 166.66 -33.06 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 125.578 2.609 . . . . 15.0 112.061 -172.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -80.01 -38.38 32.19 Favored 'General case' 1 C--N 1.204 -5.732 1 CA-C-N 106.291 -4.958 . . . . 15.0 110.514 -179.431 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.717 ' HE ' ' HA ' ' A' ' 6' ' ' ILE . 12.2 ptp180 -75.3 -48.83 21.37 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.651 -1.159 . . . . 15.0 111.584 -170.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.971 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 2.5 m-80 -68.98 -10.05 55.39 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.913 0.885 . . . . 15.0 109.537 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.822 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.2 mt -67.6 -45.31 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.199 -0.91 . . . . 15.0 109.313 168.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 52' ' ' LEU . 5.1 m-85 -75.76 -51.22 13.15 Favored 'General case' 0 C--O 1.174 -2.921 0 CA-C-O 116.709 -1.615 . . . . 15.0 112.458 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.085 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.35 0.1 OUTLIER -39.67 -41.68 1.1 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.989 1.268 . . . . 15.0 110.013 162.737 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.624 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 13.2 tp10 -65.42 -50.18 66.4 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.615 0.721 . . . . 15.0 109.757 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.6 mt -60.4 -33.13 72.04 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.364 -1.289 . . . . 15.0 108.762 171.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m-30 -80.33 -24.97 39.54 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 107.018 -1.475 . . . . 15.0 107.018 -168.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' PHE . 19.3 t70 -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.026 170.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 18' ' ' ARG . 6.3 ttm-85 -60.37 -25.23 65.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.815 -1.539 . . . . 15.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.0 3.62 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm 42.72 81.63 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.799 -1.546 . . . . 15.0 111.838 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.856 HD13 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -88.65 165.53 14.72 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.923 -1.035 . . . . 15.0 110.563 -177.011 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.44 89.97 6.05 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.673 -1.603 . . . . 15.0 106.673 165.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.011 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.22 -33.7 75.08 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.134 -1.848 . . . . 15.0 110.55 -173.127 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -87.34 14.0 8.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.549 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -104.29 -115.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 15.0 110.819 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -109.41 155.43 21.27 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 108.717 -0.846 . . . . 15.0 108.717 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -68.51 -51.14 46.38 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 113.732 -1.576 . . . . 15.0 109.232 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.91 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.279 4.6 p -81.47 -27.82 34.41 Favored 'General case' 0 N--CA 1.418 -2.061 0 N-CA-C 117.203 2.298 . . . . 15.0 117.203 -172.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.0 tp -50.65 -29.24 10.6 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.388 -1.708 . . . . 15.0 106.388 173.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.884 ' HG3' ' HZ1' ' A' ' 23' ' ' LYS . 10.0 mm-40 -81.6 -50.45 9.33 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 112.705 -2.043 . . . . 15.0 110.455 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.91 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 10.1 p -80.18 -39.19 29.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.564 2.431 . . . . 15.0 117.564 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.75 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -67.43 -9.58 43.16 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.687 -1.227 . . . . 15.0 107.687 171.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 31' ' ' SER . 11.9 ttmm -95.83 -55.14 3.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.825 -1.534 . . . . 15.0 110.707 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.728 HD12 ' HE1' ' A' ' 16' ' ' PHE . 7.7 pt -74.66 -1.1 2.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-O 121.376 0.607 . . . . 15.0 109.822 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 7.7 tt0 -42.23 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.168 -1.378 . . . . 15.0 113.444 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -69.36 8.35 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.495 -0.775 . . . . 15.0 113.035 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.657 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 70.4 m-20 -84.36 129.35 58.19 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.548 -0.908 . . . . 15.0 108.548 172.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.92 -15.76 10.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.849 2.366 . . . . 15.0 112.892 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.007 ' HB3' HD13 ' A' ' 15' ' ' LEU . 44.3 m-20 -74.38 -28.98 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.613 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.797 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -57.95 -35.72 71.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.893 0.854 . . . . 15.0 108.786 171.145 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -85.56 8.78 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.769 -1.105 . . . . 15.0 111.935 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 42.6 mmtm -61.34 -38.91 88.63 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 171.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.685 HG12 ' CE1' ' A' ' 12' ' ' PHE . 40.0 mm -107.45 134.13 50.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.82 . . . . 15.0 109.752 176.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -66.69 -33.92 76.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.37 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.466 ' H ' HG21 ' A' ' 43' ' ' ILE . 17.9 t70 -100.91 135.59 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.273 -175.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.6 t70 -84.79 -28.31 26.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.639 -176.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -77.55 1.74 18.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.102 0.477 . . . . 15.0 111.267 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HD13 ' A' ' 52' ' ' LEU . 99.1 t -98.85 -31.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.887 ' HA ' HD23 ' A' ' 52' ' ' LEU . 86.7 mtt180 -58.15 -48.94 78.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.777 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -23.93 40.1 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.475 -1.29 . . . . 15.0 112.404 -178.337 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.6 m -59.7 -12.93 7.97 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.167 -0.613 . . . . 15.0 110.326 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.01 -51.22 9.32 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-O 126.189 2.899 . . . . 15.0 113.941 -171.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.497 ' O ' ' HD2' ' A' ' 23' ' ' LYS 0.539 0.1 OUTLIER -48.51 -45.08 36.67 Favored 'General case' 2 C--N 1.201 -5.864 1 CA-C-N 106.212 -4.995 . . . . 15.0 111.858 175.465 . . . . . . . . 6 4 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -61.98 -50.11 73.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 15.0 110.174 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.678 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 31.6 mt-10 -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.036 -177.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 44.4 t90 -63.68 -27.76 69.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.116 0.96 . . . . 15.0 111.499 178.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.69 -50.39 30.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.481 -1.236 . . . . 15.0 110.868 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.36 36.11 3.97 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 109.855 -1.298 . . . . 15.0 109.855 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' HB2' ' C ' ' A' ' 56' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.092 -1.054 . . . . 15.0 109.261 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 109.139 -0.689 . . . . 15.0 109.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.617 HG21 ' HD3' ' A' ' 9' ' ' ARG . 32.1 pt 40.01 92.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 113.775 -1.557 . . . . 15.0 114.055 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -175.25 -46.78 0.01 OUTLIER 'General case' 0 CA--C 1.47 -2.1 0 CA-C-O 126.228 2.918 . . . . 15.0 112.135 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -80.05 -28.83 39.19 Favored 'General case' 1 C--N 1.194 -6.18 1 CA-C-N 105.274 -5.421 . . . . 15.0 110.089 -179.83 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.701 ' HA ' HD23 ' A' ' 52' ' ' LEU . 20.3 ptt180 -56.04 -50.49 70.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.164 -0.925 . . . . 15.0 111.933 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.89 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 50.1 m-80 -64.23 -10.03 20.91 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.858 -174.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.807 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -70.22 -46.81 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 171.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.731 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -71.11 -50.99 27.73 Favored 'General case' 0 C--O 1.172 -2.984 0 CA-C-O 117.123 -1.418 . . . . 15.0 112.558 -172.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.079 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.433 0.3 OUTLIER -39.32 -45.0 1.37 Allowed 'General case' 0 N--CA 1.512 2.671 0 C-N-CA 125.705 1.602 . . . . 15.0 110.935 164.533 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -67.11 -46.72 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.361 -0.978 . . . . 15.0 108.361 -178.369 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.009 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.5 mt -62.8 -31.33 72.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 15.0 108.928 170.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.044 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.8 m-30 -76.59 -31.56 57.55 Favored 'General case' 0 N--CA 1.395 -3.209 0 N-CA-C 108.835 -0.802 . . . . 15.0 108.835 -169.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.46 -44.1 19.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.703 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.579 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.29 -29.13 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.205 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -108.06 0.11 21.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.086 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 36.3 tptt 54.22 91.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.953 0.883 . . . . 15.0 111.899 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 30' ' ' GLN . 20.0 mt -100.52 -170.76 1.91 Allowed 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.804 -0.634 . . . . 15.0 109.521 171.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.979 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 44.4 m-20 -130.61 96.59 4.15 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.943 -1.026 . . . . 15.0 108.308 166.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.018 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.96 -4.56 13.48 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.468 -1.697 . . . . 15.0 112.206 -164.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.737 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 41.0 p90 -132.93 7.9 4.05 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.5 t -96.77 -72.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.428 0.633 . . . . 15.0 109.477 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.32 165.24 18.71 Favored 'General case' 0 CA--C 1.456 -2.668 0 N-CA-C 106.63 -1.619 . . . . 15.0 106.63 169.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.13 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.5 t-105 -79.16 -52.12 8.6 Favored 'General case' 0 C--N 1.265 -3.069 0 C-N-CA 117.692 -1.603 . . . . 15.0 109.561 168.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 1.087 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.415 3.1 p -82.29 -24.86 34.47 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 120.249 3.426 . . . . 15.0 120.249 -175.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.7 tp -52.43 -29.23 23.37 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 122.486 2.403 . . . . 15.0 106.436 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.979 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.4 mp0 -81.87 -50.02 9.68 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 112.307 -2.224 . . . . 15.0 110.855 176.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.826 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 14.2 p -77.32 -29.3 53.51 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.895 1.813 . . . . 15.0 115.895 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 1.087 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 9.8 mmpt? -58.94 -9.92 2.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 122.067 0.936 . . . . 15.0 108.529 169.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 54.8 mttm -92.56 -59.14 2.15 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.799 -1.546 . . . . 15.0 108.24 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.676 HD12 ' HE1' ' A' ' 16' ' ' PHE . 2.6 pt -75.47 -9.66 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.206 -1.361 . . . . 15.0 112.34 -169.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.6 pt-20 -66.1 -31.33 72.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.535 0.568 . . . . 15.0 112.535 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -87.88 13.7 10.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.527 0.68 . . . . 15.0 109.935 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 39' ' ' ASP . 32.7 m-20 -119.63 153.14 54.14 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 114.816 -1.084 . . . . 15.0 108.512 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.45 -6.45 10.29 Favored 'Trans proline' 0 CA--C 1.527 0.166 0 C-N-CA 122.452 2.102 . . . . 15.0 111.335 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.009 ' HB3' HD13 ' A' ' 15' ' ' LEU . 31.3 m-20 -80.01 -30.19 39.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.198 -0.91 . . . . 15.0 112.503 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.658 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -33.47 75.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 170.141 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -81.21 6.19 14.73 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.721 -1.127 . . . . 15.0 111.832 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.731 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 72.6 mmtt -63.69 -41.23 98.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.68 HD13 HD12 ' A' ' 52' ' ' LEU . 56.8 mt -108.23 123.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.357 -0.838 . . . . 15.0 108.976 173.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 44' ' ' ARG . 9.0 ptp85 -64.01 -28.81 70.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 15.0 112.268 -174.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -102.45 138.29 39.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.385 0.612 . . . . 15.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 14.8 t70 -83.31 -19.22 36.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.773 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -66.01 -21.62 66.41 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.738 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.741 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 30.6 t -95.8 -30.98 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.593 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.722 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 85.3 mtt180 -53.26 -48.09 68.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.13 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.54 -28.37 37.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 118.734 -1.186 . . . . 15.0 112.679 -177.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 m -61.43 -9.96 6.6 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.433 0.635 . . . . 15.0 110.671 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 26.8 mt -74.5 -50.05 19.75 Favored 'General case' 0 CA--C 1.463 -2.379 0 CA-C-O 125.76 2.695 . . . . 15.0 113.642 -175.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.696 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.54 0.0 OUTLIER -78.36 -28.97 47.2 Favored 'General case' 2 C--N 1.199 -5.944 1 CA-C-N 107.241 -4.527 . . . . 15.0 110.16 -161.519 . . . . . . . . 6 4 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.1 mt-10 -62.84 -42.2 99.64 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.267 -1.788 . . . . 15.0 109.706 170.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -65.33 -50.22 66.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.462 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.079 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.5 t90 -71.08 -15.87 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.26 1.029 . . . . 15.0 111.376 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.737 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.3 t -63.92 -50.37 68.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.248 -1.342 . . . . 15.0 109.591 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.49 29.7 11.95 Favored Glycine 0 CA--C 1.506 -0.523 0 N-CA-C 110.144 -1.182 . . . . 15.0 110.144 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.956 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.938 0 CA-C-N 114.299 -0.95 . . . . 15.0 109.717 -174.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 pt 34.83 90.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 124.466 1.103 . . . . 15.0 113.452 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -162.39 -53.48 0.04 OUTLIER 'General case' 0 CA--C 1.466 -2.269 0 CA-C-O 126.856 3.217 . . . . 15.0 110.578 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -67.19 -24.92 65.91 Favored 'General case' 1 C--N 1.201 -5.888 1 CA-C-N 104.035 -5.984 . . . . 15.0 110.59 179.326 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.639 ' HD2' ' OE1' ' A' ' 55' ' ' GLU . 15.0 ptt180 -57.86 -50.24 73.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.596 . . . . 15.0 110.853 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.908 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.6 m-80 -64.88 -15.53 62.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.553 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.872 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -63.83 -44.89 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 172.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.666 ' HB2' HD11 ' A' ' 52' ' ' LEU . 3.5 m-85 -73.6 -51.09 18.05 Favored 'General case' 0 C--O 1.178 -2.68 0 CA-C-O 117.033 -1.461 . . . . 15.0 112.096 -173.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.102 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.62 -43.34 1.32 Allowed 'General case' 0 N--CA 1.508 2.472 0 C-N-CA 124.989 1.315 . . . . 15.0 110.44 162.231 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.0 tm-20 -65.95 -50.2 65.21 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.071 HD11 ' HB2' ' A' ' 39' ' ' ASP . 9.0 mt -58.35 -33.12 69.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 170.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.076 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.8 m-30 -80.07 -25.46 40.05 Favored 'General case' 0 N--CA 1.386 -3.63 0 N-CA-C 107.664 -1.236 . . . . 15.0 107.664 -168.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.61 -45.42 17.33 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.281 169.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -53.24 -30.85 40.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.645 -1.161 . . . . 15.0 111.005 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -103.98 -5.77 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.299 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 52.31 78.96 0.12 Allowed 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 123.908 0.755 . . . . 15.0 110.905 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.979 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -84.5 166.3 17.36 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.962 0.887 . . . . 15.0 110.371 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.619 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 41.6 m-20 -97.13 85.37 3.7 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.645 -1.613 . . . . 15.0 106.645 168.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.001 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.81 -31.14 72.07 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 112.71 -2.041 . . . . 15.0 111.794 -167.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -102.74 5.96 39.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -89.21 -82.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.736 -0.386 . . . . 15.0 110.842 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.42 153.57 51.04 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.712 0.768 . . . . 15.0 108.946 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.141 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -67.08 -51.58 52.64 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 113.626 -1.625 . . . . 15.0 109.028 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.825 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.313 4.8 p -81.44 -22.54 38.1 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 117.58 2.437 . . . . 15.0 117.58 -175.085 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.539 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 48.7 tp -53.25 -29.01 30.45 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 105.809 -1.922 . . . . 15.0 105.809 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.979 ' HB3' HD11 ' A' ' 21' ' ' LEU . 8.1 mm-40 -81.94 -50.71 8.84 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.601 -2.09 . . . . 15.0 112.162 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.825 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 4.9 p -79.51 -30.37 41.87 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.622 1.712 . . . . 15.0 115.622 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -67.93 -10.01 49.8 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.282 -1.377 . . . . 15.0 107.282 171.241 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 30.2 ttpt -104.4 -55.76 2.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 113.302 -1.772 . . . . 15.0 110.867 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.799 HD12 ' HE1' ' A' ' 16' ' ' PHE . 6.9 pt -75.83 -2.79 4.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-O 121.288 0.566 . . . . 15.0 110.203 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.727 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.2 tm-20 -38.18 -77.32 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.51 -1.223 . . . . 15.0 113.87 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -80.75 16.28 1.47 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.983 -0.553 . . . . 15.0 112.248 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.8 m-20 -85.05 140.47 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 173.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.56 -20.03 67.1 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.705 2.27 . . . . 15.0 112.311 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.071 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -80.06 -28.28 39.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.843 -0.617 . . . . 15.0 112.473 -177.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.727 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.81 -30.89 67.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 171.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.42 4.19 32.65 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.068 -0.969 . . . . 15.0 112.041 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.948 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 3.6 mptp? -62.06 -31.57 72.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.36 0.6 . . . . 15.0 109.513 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.732 HD12 HD13 ' A' ' 52' ' ' LEU . 28.0 mt -113.67 128.25 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.064 173.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.33 -32.11 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.633 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD1' ' HB ' ' A' ' 48' ' ' VAL . 2.7 p30 -92.68 155.37 17.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.496 0.665 . . . . 15.0 110.695 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 37.5 t70 -115.74 36.34 4.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.186 -1.37 . . . . 15.0 108.317 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -123.19 -16.43 6.94 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.014 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 37.5 t -98.77 -25.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.876 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.726 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.2 mtt180 -57.3 -50.34 73.24 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.394 0.616 . . . . 15.0 111.704 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.141 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.87 -9.97 59.77 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 113.559 0.948 . . . . 15.0 113.559 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -74.36 -9.67 58.83 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 119.692 -0.803 . . . . 15.0 110.155 164.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.732 HD13 HD12 ' A' ' 43' ' ' ILE . 63.9 mt -75.39 -49.4 19.11 Favored 'General case' 0 CA--C 1.458 -2.558 0 CA-C-O 125.678 2.656 . . . . 15.0 114.121 -173.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.69 ' HD2' ' O ' ' A' ' 50' ' ' GLU 0.517 0.0 OUTLIER -76.13 -33.29 59.43 Favored 'General case' 2 C--N 1.199 -5.972 1 CA-C-N 108.035 -4.166 . . . . 15.0 110.005 -165.042 . . . . . . . . 6 4 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.51 -46.5 80.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.151 -1.386 . . . . 15.0 109.715 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.639 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 53.5 mt-10 -69.56 -50.2 47.05 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.564 -0.744 . . . . 15.0 111.544 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.102 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 50.6 t90 -66.44 -21.58 66.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.923 0.868 . . . . 15.0 111.288 -178.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 41.2 t -65.59 -50.12 66.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.219 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.21 33.11 6.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 109.968 -1.253 . . . . 15.0 109.968 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.778 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.179 -172.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.9 t0 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 121.4 0.619 . . . . 15.0 109.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 6' ' ' ILE . 26.6 pt -73.27 79.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-O 123.908 1.813 . . . . 15.0 110.423 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -169.88 -53.3 0.02 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-O 126.954 3.264 . . . . 15.0 109.136 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HA ' HD13 ' A' ' 11' ' ' ILE . 56.8 mt-10 -71.73 -32.28 67.59 Favored 'General case' 1 C--N 1.202 -5.81 1 CA-C-N 103.656 -6.156 . . . . 15.0 111.033 -179.116 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' A' ' 52' ' ' LEU . 36.7 ptt85 -56.57 -50.57 71.53 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.113 -0.949 . . . . 15.0 110.177 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.915 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 44.2 m-80 -69.59 -17.47 63.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 110.038 -0.356 . . . . 15.0 110.038 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.82 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.3 mt -61.89 -49.76 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 171.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.687 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 5.4 m-85 -69.78 -51.36 34.64 Favored 'General case' 0 C--O 1.174 -2.869 0 CA-C-O 116.942 -1.504 . . . . 15.0 112.061 -173.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.066 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.357 0.3 OUTLIER -39.84 -45.09 1.74 Allowed 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 120.235 1.38 . . . . 15.0 110.589 164.35 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 8.6 tp10 -63.43 -50.29 70.37 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.934 0.874 . . . . 15.0 109.325 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.82 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -62.3 -31.5 72.11 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.941 -1.481 . . . . 15.0 108.75 173.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.07 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.4 m-30 -79.71 -25.0 41.3 Favored 'General case' 0 N--CA 1.39 -3.429 0 N-CA-C 106.904 -1.517 . . . . 15.0 106.904 -170.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 35.9 t70 -80.53 -44.41 19.14 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.012 172.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -52.78 -31.89 40.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.511 -1.222 . . . . 15.0 111.133 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 12.0 m-30 -104.16 -3.06 24.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 49.17 82.75 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.538 -1.21 . . . . 15.0 109.891 -176.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.955 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -84.09 163.89 19.56 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 114.208 -1.36 . . . . 15.0 110.295 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.655 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 24.0 m-20 -93.94 86.47 5.06 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.749 -1.574 . . . . 15.0 106.749 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.959 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -61.55 -31.63 71.67 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 112.772 -2.013 . . . . 15.0 111.894 -169.415 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 49.0 p90 -109.7 11.5 24.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.445 0.535 . . . . 15.0 112.445 -175.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.8 t -83.24 -75.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.12 0.486 . . . . 15.0 110.331 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -146.97 153.96 40.69 Favored 'General case' 0 CA--C 1.466 -2.285 0 N-CA-C 107.882 -1.155 . . . . 15.0 107.882 174.593 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.124 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.4 t-105 -66.73 -51.81 51.64 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 113.603 -1.635 . . . . 15.0 109.445 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.872 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.267 3.9 p -81.42 -23.31 37.64 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 117.132 2.271 . . . . 15.0 117.132 -175.182 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.634 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 1.4 tm? -48.02 -34.51 9.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.402 -2.073 . . . . 15.0 105.402 172.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.955 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.76 -50.8 8.84 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.505 -2.134 . . . . 15.0 111.191 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.872 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 37.0 p -79.77 -32.24 40.93 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 116.941 2.2 . . . . 15.0 116.941 -170.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -65.61 -9.71 29.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.176 -1.416 . . . . 15.0 107.176 170.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 33.0 ttpt -106.17 -49.45 3.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.636 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.837 HD12 ' HE1' ' A' ' 16' ' ' PHE . 3.4 pt -70.33 -11.54 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.7 0.286 . . . . 15.0 111.528 -175.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 4.4 pt-20 -62.2 -24.21 67.08 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.493 -0.322 . . . . 15.0 111.824 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -80.08 -17.68 52.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.672 0.748 . . . . 15.0 110.066 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.49 164.57 19.57 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.605 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 22.1 Cg_exo -65.91 -6.19 13.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.264 1.976 . . . . 15.0 110.661 168.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.745 ' HA ' HD11 ' A' ' 15' ' ' LEU . 52.3 t0 -62.12 -50.65 71.05 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 115.081 -0.963 . . . . 15.0 110.71 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.663 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.24 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.235 0.541 . . . . 15.0 110.969 -178.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -82.63 5.01 22.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.566 -0.743 . . . . 15.0 112.415 -171.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.687 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 75.1 mmtt -73.68 -34.95 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.415 . . . . 15.0 110.303 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 12' ' ' PHE . 41.7 mt -125.49 124.92 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -69.46 -31.98 70.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 15.0 111.331 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.21 104.59 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.519 0.676 . . . . 15.0 111.175 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.44 -27.65 67.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.708 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -67.65 -5.44 15.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.479 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.7 t -105.49 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -54.4 -48.5 71.51 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.458 -0.792 . . . . 15.0 111.931 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.124 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.55 -22.96 40.3 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.706 -1.198 . . . . 15.0 113.349 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.7 m -63.8 -9.81 16.72 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.675 -0.81 . . . . 15.0 110.655 168.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' A' ' 9' ' ' ARG . 31.9 mt -75.88 -50.48 14.94 Favored 'General case' 0 CA--C 1.46 -2.507 0 CA-C-O 125.936 2.779 . . . . 15.0 114.167 -174.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.757 ' HD2' ' HZ3' ' A' ' 23' ' ' LYS 0.544 0.0 OUTLIER -71.74 -32.4 67.69 Favored 'General case' 2 C--N 1.197 -6.033 1 CA-C-N 107.217 -4.538 . . . . 15.0 110.038 -165.828 . . . . . . . . 6 4 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.5 mt-10 -57.6 -48.2 80.05 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.881 -1.509 . . . . 15.0 109.834 173.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.631 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 50.2 mt-10 -67.17 -50.35 61.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 15.0 111.204 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.07 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 51.9 t90 -65.98 -21.19 66.4 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.295 1.045 . . . . 15.0 111.334 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.48 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 48.3 t -63.75 -50.24 69.85 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.03 -1.441 . . . . 15.0 109.604 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.49 41.5 2.2 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.932 -1.267 . . . . 15.0 109.932 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.854 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.861 -0.669 . . . . 15.0 109.931 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 7' ' ' ASP . 27.6 pt 44.16 91.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 124.415 1.072 . . . . 15.0 111.995 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.524 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER 166.54 -24.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 124.895 2.283 . . . . 15.0 114.09 -176.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.61 -28.59 51.55 Favored 'General case' 1 C--N 1.208 -5.552 1 CA-C-N 107.968 -4.196 . . . . 15.0 108.258 174.358 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.701 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.8 ptm180 -61.55 -50.6 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.072 -1.422 . . . . 15.0 110.95 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.938 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.0 m-80 -69.7 -10.05 56.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.931 -175.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.866 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.5 mt -66.6 -49.69 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.703 -0.681 . . . . 15.0 109.322 169.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.682 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.3 m-85 -72.26 -51.3 21.56 Favored 'General case' 0 C--O 1.179 -2.646 0 CA-C-O 117.164 -1.398 . . . . 15.0 112.345 -171.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.072 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.339 0.2 OUTLIER -39.72 -43.71 1.43 Allowed 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 125.042 1.337 . . . . 15.0 110.666 163.514 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.656 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -68.19 -46.19 71.32 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.044 -0.725 . . . . 15.0 109.044 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.12 HD12 ' HB2' ' A' ' 39' ' ' ASP . 8.4 mt -61.62 -32.11 72.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.383 -0.969 . . . . 15.0 108.383 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.073 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.0 m-30 -79.88 -25.93 40.47 Favored 'General case' 0 N--CA 1.39 -3.437 0 N-CA-C 107.52 -1.289 . . . . 15.0 107.52 -169.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.8 t70 -80.34 -48.95 12.19 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.644 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.15 -25.69 61.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.464 -1.244 . . . . 15.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -100.47 -5.91 26.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.874 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.741 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 9.0 mtpm? 54.23 70.35 0.62 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.091 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.988 HD13 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -80.14 165.18 22.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.888 0.851 . . . . 15.0 110.25 -179.115 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.595 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 13.4 m-20 -98.13 90.38 4.85 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 169.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.991 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -65.55 -31.87 73.16 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 113.168 -1.833 . . . . 15.0 111.921 -168.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 34.0 p90 -107.89 17.04 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 15.0 111.816 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.524 ' OG ' ' HB3' ' A' ' 22' ' ' ASP . 36.3 m -96.4 -79.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.96 0.41 . . . . 15.0 111.008 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -129.93 161.61 30.49 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-O 122.08 0.943 . . . . 15.0 108.516 174.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.133 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.5 t-105 -77.28 -51.64 10.55 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 113.666 -1.607 . . . . 15.0 109.162 167.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.933 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.357 13.2 p -81.72 -35.49 29.69 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 119.689 3.218 . . . . 15.0 119.689 -170.44 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.656 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.4 mm? -51.28 -26.11 6.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 120.591 1.541 . . . . 15.0 107.03 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.988 ' HB3' HD13 ' A' ' 21' ' ' LEU . 16.0 mp0 -81.9 -50.08 9.59 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 112.524 -2.125 . . . . 15.0 111.496 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.933 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 2.1 p -75.59 -49.82 17.41 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 116.614 2.079 . . . . 15.0 116.614 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.608 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -62.41 -9.49 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.088 -1.078 . . . . 15.0 108.088 171.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.764 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -83.52 -54.28 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.112 -1.404 . . . . 15.0 109.309 174.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.822 HD12 ' HE1' ' A' ' 16' ' ' PHE . 10.0 pt -85.27 -10.92 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.704 -0.68 . . . . 15.0 112.716 -171.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.667 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 6.1 pt-20 -61.73 -27.36 68.66 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.822 -0.549 . . . . 15.0 112.463 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.91 14.03 13.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.357 0.599 . . . . 15.0 109.918 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 6.5 m-20 -118.98 157.49 50.38 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.445 -0.798 . . . . 15.0 110.117 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.52 -1.46 9.79 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.296 1.997 . . . . 15.0 112.058 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.12 ' HB2' HD12 ' A' ' 15' ' ' LEU . 2.1 p-10 -80.17 -48.34 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.11 -0.496 . . . . 15.0 110.813 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.689 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -55.79 -33.68 64.6 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.329 0.585 . . . . 15.0 110.158 175.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -74.13 -1.42 20.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.326 -0.852 . . . . 15.0 112.425 -176.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.633 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 37.5 mmtm -70.02 -24.0 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 15.0 110.796 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.513 HD13 HD12 ' A' ' 52' ' ' LEU . 38.3 mt -124.15 130.64 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.071 -0.715 . . . . 15.0 109.071 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.07 -57.91 9.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.654 0.74 . . . . 15.0 110.388 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.8 139.3 43.18 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.335 -1.302 . . . . 15.0 111.682 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.5 t70 -90.21 -17.24 27.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.876 -1.056 . . . . 15.0 110.214 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -64.93 -20.6 66.55 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.906 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.72 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.9 t -100.79 -20.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.491 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.763 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 94.9 mtt180 -61.83 -49.68 75.33 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.96 0.41 . . . . 15.0 111.317 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.133 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.67 -13.56 58.91 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.466 -0.771 . . . . 15.0 112.775 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -70.7 -9.75 57.88 Favored 'General case' 0 C--N 1.285 -2.212 0 C-N-CA 120.118 -0.633 . . . . 15.0 110.478 164.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.763 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.0 mt -77.28 -50.33 13.09 Favored 'General case' 0 CA--C 1.459 -2.555 0 CA-C-O 125.931 2.777 . . . . 15.0 114.041 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.79 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.543 0.0 OUTLIER -70.62 -34.8 72.5 Favored 'General case' 2 C--N 1.202 -5.839 1 CA-C-N 106.871 -4.695 . . . . 15.0 110.09 -166.872 . . . . . . . . 6 4 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.1 mt-10 -55.5 -48.52 74.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.229 -1.35 . . . . 15.0 109.599 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 12.9 mm-40 -69.97 -50.42 41.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.938 -1.028 . . . . 15.0 111.994 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.073 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 39.2 t90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.102 0.953 . . . . 15.0 111.145 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.1 t -59.73 -50.15 74.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.823 -1.535 . . . . 15.0 109.794 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.49 38.85 3.0 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.697 -1.361 . . . . 15.0 109.697 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.924 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 6.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.697 -0.752 . . . . 15.0 110.309 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.461 HG22 ' HD3' ' A' ' 9' ' ' ARG . 42.8 pt 39.04 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 113.877 -1.511 . . . . 15.0 114.5 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 t70 179.58 -48.42 0.01 OUTLIER 'General case' 0 CA--C 1.469 -2.148 0 CA-C-O 126.562 3.077 . . . . 15.0 111.258 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -35.06 38.16 Favored 'General case' 1 C--N 1.197 -6.06 1 CA-C-N 104.552 -5.749 . . . . 15.0 110.26 -176.743 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.68 ' HA ' HD21 ' A' ' 52' ' ' LEU . 8.0 ptm180 -56.01 -50.6 70.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.905 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.965 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 35.1 m-80 -65.98 -15.62 63.17 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.611 -173.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.859 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.3 mt -63.59 -50.1 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 109.284 -0.636 . . . . 15.0 109.284 171.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.741 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -70.03 -50.82 37.47 Favored 'General case' 0 C--O 1.176 -2.795 0 CA-C-O 117.213 -1.375 . . . . 15.0 112.644 -170.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.078 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.41 0.4 OUTLIER -39.64 -47.85 2.04 Favored 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 125.542 1.537 . . . . 15.0 110.736 165.369 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.48 -43.72 89.35 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.558 -0.534 . . . . 15.0 109.558 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.995 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.2 mt -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.538 -0.912 . . . . 15.0 108.538 171.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.013 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.9 m-30 -75.21 -33.82 61.42 Favored 'General case' 0 N--CA 1.399 -3.023 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.137 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.44 -39.1 28.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.775 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 18' ' ' ARG . 32.5 ttt180 -62.65 -27.34 69.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.574 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.86 11.88 29.54 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.356 -0.979 . . . . 15.0 108.356 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 pttt 29.05 83.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 113.845 -1.525 . . . . 15.0 113.473 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 30' ' ' GLN . 25.2 mt -83.99 -170.89 3.31 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.94 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 1.032 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 11.5 m-20 -124.98 93.31 3.85 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.029 -0.987 . . . . 15.0 108.406 165.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.974 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.57 -16.55 61.15 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 113.486 -1.688 . . . . 15.0 110.363 -170.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.79 -46.38 6.6 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.997 -1.001 . . . . 15.0 111.673 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.2 t -60.23 -79.78 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.957 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.34 165.67 14.0 Favored 'General case' 0 CA--C 1.459 -2.549 0 N-CA-C 107.643 -1.243 . . . . 15.0 107.643 175.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.137 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.2 t-105 -79.69 -52.02 8.48 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 113.7 -1.591 . . . . 15.0 109.682 167.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.869 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 9.0 p -81.89 -32.92 30.74 Favored 'General case' 0 N--CA 1.418 -2.025 0 N-CA-C 119.422 3.119 . . . . 15.0 119.422 -172.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 12.8 tp -49.7 -29.75 8.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.446 -1.687 . . . . 15.0 106.446 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 1.032 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.8 mp0 -81.96 -49.99 9.65 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.418 -2.174 . . . . 15.0 110.399 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.869 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 62.8 p -80.07 -48.24 13.58 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 117.048 2.24 . . . . 15.0 117.048 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.0 ptpp? -60.96 -9.58 4.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.891 0.769 . . . . 15.0 109.834 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -98.37 -29.39 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.123 178.135 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.72 HG22 ' O ' ' A' ' 30' ' ' GLN . 1.6 pt -85.82 -6.42 10.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 N-CA-C 108.967 -0.753 . . . . 15.0 108.967 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.974 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.5 tm-20 -45.28 -79.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.014 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -48.43 -25.07 1.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.114 -0.948 . . . . 15.0 113.018 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 68.5 m-20 -69.48 139.82 89.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.776 -0.453 . . . . 15.0 109.776 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 -8.67 8.12 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.629 2.219 . . . . 15.0 112.123 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.995 ' HB3' HD13 ' A' ' 15' ' ' LEU . 29.6 m-20 -76.06 -32.39 59.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.516 -0.765 . . . . 15.0 111.534 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.974 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -65.76 -32.95 74.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 172.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -89.34 17.36 6.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.313 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.741 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.0 mmtt -73.04 -28.03 62.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 173.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 52' ' ' LEU . 54.0 mt -117.29 136.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.36 -0.837 . . . . 15.0 109.722 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.36 -51.95 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 15.0 111.65 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.9 p-10 -88.58 150.5 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.665 0.745 . . . . 15.0 111.422 -174.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.589 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 27.0 t70 -107.34 27.1 9.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.546 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -114.65 -16.42 11.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.007 0.908 . . . . 15.0 110.481 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.638 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.8 t -95.04 -30.21 4.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.705 -1.134 . . . . 15.0 109.837 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.748 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.7 mtt180 -54.74 -47.78 73.4 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.913 -0.585 . . . . 15.0 112.146 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.137 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.42 -25.49 38.97 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.438 -0.905 . . . . 15.0 112.35 -177.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -64.7 -9.77 22.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.422 0.629 . . . . 15.0 110.178 169.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.748 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 17.4 mt -74.46 -50.26 19.04 Favored 'General case' 0 CA--C 1.459 -2.532 0 CA-C-O 125.698 2.666 . . . . 15.0 113.798 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.712 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.541 0.0 OUTLIER -77.54 -30.69 52.87 Favored 'General case' 2 C--N 1.199 -5.963 1 CA-C-N 107.313 -4.494 . . . . 15.0 110.41 -163.005 . . . . . . . . 6 4 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.3 mt-10 -63.89 -40.64 96.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.723 -1.581 . . . . 15.0 109.808 169.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.622 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 12.8 mm-40 -67.66 -49.96 60.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.371 -0.832 . . . . 15.0 110.982 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.078 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 26.2 t90 -68.96 -16.62 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.355 1.074 . . . . 15.0 111.354 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 52.4 t -62.53 -50.03 72.97 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.679 -1.6 . . . . 15.0 109.036 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.81 41.32 2.26 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.066 -1.213 . . . . 15.0 110.066 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.028 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.591 -0.805 . . . . 15.0 110.323 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.222 -1.029 . . . . 15.0 108.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 pt 40.87 88.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 114.255 -1.339 . . . . 15.0 111.65 -168.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -170.78 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.477 -1.859 0 CA-C-O 125.682 2.658 . . . . 15.0 113.654 -172.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.558 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -71.05 -24.13 62.28 Favored 'General case' 1 C--N 1.198 -6.0 1 CA-C-N 106.298 -4.955 . . . . 15.0 109.395 176.741 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.541 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.5 ptt85 -61.29 -50.3 73.56 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.884 -1.053 . . . . 15.0 111.43 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.981 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 46.6 m-80 -66.81 -10.4 47.33 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.898 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.819 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -65.98 -45.97 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 170.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.841 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.0 m-85 -75.06 -50.77 15.36 Favored 'General case' 0 C--O 1.174 -2.919 0 CA-C-O 117.229 -1.367 . . . . 15.0 113.055 -171.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.065 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.356 0.1 OUTLIER -39.76 -44.61 1.6 Allowed 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 124.772 1.229 . . . . 15.0 110.204 163.151 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -64.68 -48.17 75.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.453 -0.573 . . . . 15.0 109.453 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.01 HD12 ' HB2' ' A' ' 39' ' ' ASP . 7.5 mt -61.73 -32.57 72.81 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.687 -0.857 . . . . 15.0 108.687 171.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.054 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.8 m-30 -77.73 -26.07 49.74 Favored 'General case' 0 N--CA 1.393 -3.281 0 N-CA-C 108.408 -0.96 . . . . 15.0 108.408 -167.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.42 -44.57 19.1 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.12 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.06 -30.63 62.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.131 -0.94 . . . . 15.0 110.494 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.533 ' HD2' HG23 ' A' ' 34' ' ' ILE . 13.1 m-30 -101.29 3.05 40.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.84 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 50.69 59.93 4.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.756 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 1.011 HD13 ' HB3' ' A' ' 30' ' ' GLN . 56.7 mt -81.28 146.68 30.29 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 122.734 1.254 . . . . 15.0 111.252 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.571 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.3 m-20 -77.31 91.04 3.78 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 112.386 -2.188 . . . . 15.0 106.355 169.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.012 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -66.14 -23.92 66.57 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.241 -171.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -99.79 -12.0 20.31 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.739 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -83.45 -84.05 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 15.0 111.799 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -124.99 163.96 21.18 Favored 'General case' 0 CA--C 1.466 -2.286 0 CA-C-O 122.21 1.005 . . . . 15.0 109.074 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.107 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.2 t-105 -78.51 -52.28 8.74 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 113.516 -1.674 . . . . 15.0 109.792 168.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.865 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.337 6.1 p -81.67 -34.58 30.65 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 118.937 2.939 . . . . 15.0 118.937 -171.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.2 OUTLIER -49.86 -28.44 6.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.28 -1.748 . . . . 15.0 106.28 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 1.011 ' HB3' HD13 ' A' ' 21' ' ' LEU . 12.9 mp0 -81.86 -50.21 9.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 112.771 -2.013 . . . . 15.0 110.213 173.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.865 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 29.2 p -80.26 -34.76 36.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.469 2.396 . . . . 15.0 117.469 -176.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.3 ptmm? -67.39 -9.55 42.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.433 -1.321 . . . . 15.0 107.433 170.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.62 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 24.3 ttmm -95.7 -49.08 5.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.501 -1.681 . . . . 15.0 110.158 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 30' ' ' GLN . 2.7 pt -81.97 -5.83 9.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 121.262 0.553 . . . . 15.0 110.625 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.823 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 27.5 tt0 -44.67 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.181 1.178 . . . . 15.0 114.181 -174.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.53 -14.17 4.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.77 -1.105 . . . . 15.0 113.185 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.2 m-20 -68.95 158.89 85.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 15.0 111.064 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.66 -8.91 23.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.813 2.342 . . . . 15.0 112.611 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.01 ' HB2' HD12 ' A' ' 15' ' ' LEU . 6.3 p-10 -79.96 -42.53 23.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.658 -0.246 . . . . 15.0 110.504 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.823 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -49.08 -40.07 30.34 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.494 0.664 . . . . 15.0 110.47 174.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -84.31 18.2 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.677 . . . . 15.0 112.41 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.585 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 67.7 mmtt -81.86 -30.1 32.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 15.0 111.398 177.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.841 HG12 ' CE1' ' A' ' 12' ' ' PHE . 28.9 mm -97.84 137.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.821 -0.352 . . . . 15.0 110.504 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.579 ' HD3' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -60.28 -22.71 63.45 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.855 -0.611 . . . . 15.0 112.011 -177.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.734 ' H ' HG23 ' A' ' 43' ' ' ILE . 27.9 m-20 -127.03 134.94 50.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.671 0.272 . . . . 15.0 110.99 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 32.1 t70 -68.72 -26.63 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.977 -0.749 . . . . 15.0 108.977 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -67.66 -9.27 41.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.008 -0.996 . . . . 15.0 111.518 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.645 ' HB ' HG21 ' A' ' 43' ' ' ILE . 53.5 t -106.59 -23.48 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.777 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.7 mtt180 -58.88 -50.15 75.09 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.002 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.107 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -22.39 41.36 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 119.035 -1.066 . . . . 15.0 112.122 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.4 m -60.55 -15.79 31.1 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.011 -0.676 . . . . 15.0 110.336 165.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.26 -51.44 8.92 Favored 'General case' 0 CA--C 1.461 -2.451 0 CA-C-O 125.492 2.568 . . . . 15.0 113.746 -171.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' HD1' ' HG2' ' A' ' 54' ' ' GLU 0.519 0.1 OUTLIER -40.29 -44.84 1.99 Allowed 'General case' 2 C--N 1.209 -5.535 1 CA-C-N 106.793 -4.73 . . . . 15.0 112.079 171.535 . . . . . . . . 6 4 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.531 ' HG2' ' HD1' ' A' ' 53' ' ' PHE . 2.9 mt-10 -62.93 -49.86 73.09 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.514 -0.767 . . . . 15.0 110.588 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HB3' HH11 ' A' ' 9' ' ' ARG . 5.7 mm-40 -60.76 -50.37 73.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.123 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.065 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 37.7 t90 -63.29 -30.43 71.57 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.579 1.18 . . . . 15.0 111.3 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 46.5 t -60.25 -49.1 78.96 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.098 -1.865 . . . . 15.0 109.415 -177.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.76 36.95 3.96 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.327 -1.109 . . . . 15.0 110.327 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.772 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.771 -0.714 . . . . 15.0 109.933 -173.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 109.358 -0.608 . . . . 15.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.771 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 32.5 pt 23.45 91.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 124.776 1.297 . . . . 15.0 114.143 -174.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.0 t70 -168.16 -59.74 0.02 OUTLIER 'General case' 0 CA--C 1.462 -2.428 0 CA-C-O 126.666 3.127 . . . . 15.0 110.477 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.53 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.95 -40.33 96.19 Favored 'General case' 1 C--N 1.196 -6.093 1 CA-C-N 103.732 -6.122 . . . . 15.0 110.578 -178.772 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.771 ' HE ' ' HA ' ' A' ' 6' ' ' ILE . 11.4 ptp180 -66.37 -47.85 72.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.061 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.956 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 9.5 m-80 -66.69 -17.41 64.84 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 123.448 0.699 . . . . 15.0 109.622 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.877 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 40.3 mm -61.92 -44.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.924 169.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.584 ' HB2' HD13 ' A' ' 52' ' ' LEU . 5.4 m-85 -72.52 -51.11 21.35 Favored 'General case' 0 C--O 1.175 -2.862 0 CA-C-O 117.028 -1.463 . . . . 15.0 111.976 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.06 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.39 0.2 OUTLIER -39.55 -43.64 1.32 Allowed 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 125.193 1.397 . . . . 15.0 110.256 163.493 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 9.9 tp10 -62.94 -50.49 70.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.244 1.021 . . . . 15.0 109.859 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.025 HD12 ' HB3' ' A' ' 39' ' ' ASP . 8.3 mt -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 113.469 -1.696 . . . . 15.0 108.775 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.087 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.7 m-30 -80.1 -24.55 40.48 Favored 'General case' 0 N--CA 1.387 -3.575 0 N-CA-C 107.2 -1.407 . . . . 15.0 107.2 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 13' ' ' PHE . 32.1 t70 -80.44 -45.53 17.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.25 -0.886 . . . . 15.0 109.876 170.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -50.17 -34.52 22.76 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.911 -1.495 . . . . 15.0 111.506 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -113.52 8.01 17.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.777 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 50.43 74.51 0.22 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 114.858 -1.065 . . . . 15.0 111.742 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -82.68 167.8 17.87 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.622 0.725 . . . . 15.0 110.806 -177.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.46 96.61 8.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.553 -1.647 . . . . 15.0 106.553 163.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.953 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.67 -26.38 66.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.704 -1.589 . . . . 15.0 111.156 -171.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.16 -49.26 7.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 15.0 112.007 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -45.87 -79.61 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -168.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.611 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.77 155.02 45.62 Favored 'General case' 0 CA--C 1.467 -2.214 0 CA-C-O 121.949 0.881 . . . . 15.0 109.485 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.0 t-105 -69.77 -51.67 31.9 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 113.449 -1.705 . . . . 15.0 109.421 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.884 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 2.9 p -81.32 -25.18 36.64 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 117.768 2.507 . . . . 15.0 117.768 -173.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.4 OUTLIER -46.84 -35.18 6.04 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 105.348 -2.093 . . . . 15.0 105.348 171.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.922 ' HB3' HD11 ' A' ' 21' ' ' LEU . 7.6 mm-40 -81.63 -50.63 9.1 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.857 -1.974 . . . . 15.0 111.568 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.884 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 5.5 p -73.83 -44.07 56.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.628 2.084 . . . . 15.0 116.628 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.63 -9.8 15.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.262 0.937 . . . . 15.0 109.051 178.573 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 20.3 ptmt -107.71 -42.76 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.292 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.735 HD12 ' HE1' ' A' ' 16' ' ' PHE . 3.1 pt -76.48 -12.52 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.297 -177.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 31' ' ' SER . 5.9 pt-20 -62.04 -27.29 68.78 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.823 0.344 . . . . 15.0 111.826 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -81.22 -2.39 48.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.281 0.562 . . . . 15.0 110.393 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -101.34 143.39 26.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.5 -0.926 . . . . 15.0 108.5 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.61 -3.9 10.01 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.387 2.058 . . . . 15.0 111.223 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.078 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 39.9 m-20 -79.59 -29.66 41.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.813 -1.085 . . . . 15.0 111.275 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -65.4 -34.42 78.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 171.39 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -84.71 9.78 13.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.812 -1.085 . . . . 15.0 110.844 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.078 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mptt -63.09 -32.32 73.66 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.179 0.514 . . . . 15.0 109.764 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 HD12 HD12 ' A' ' 52' ' ' LEU . 69.3 mt -117.49 138.15 49.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.318 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -68.29 -39.03 82.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.436 -0.347 . . . . 15.0 111.887 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.73 125.83 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.375 0.607 . . . . 15.0 112.015 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 23.0 t70 -78.05 -26.05 48.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.307 -0.86 . . . . 15.0 110.247 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -63.9 -10.79 22.79 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.483 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.4 t -105.93 -25.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.482 177.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.5 mtt180 -58.05 -43.92 87.15 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.666 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.73 -20.92 41.73 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 113.994 1.109 . . . . 15.0 113.994 -179.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -65.2 -9.82 26.6 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.812 -0.755 . . . . 15.0 111.116 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 16.8 mt -73.9 -50.41 20.32 Favored 'General case' 0 CA--C 1.457 -2.601 0 CA-C-O 125.775 2.702 . . . . 15.0 114.273 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.767 ' HD2' ' HZ3' ' A' ' 23' ' ' LYS 0.541 0.0 OUTLIER -72.61 -31.84 65.48 Favored 'General case' 2 C--N 1.199 -5.978 1 CA-C-N 107.344 -4.48 . . . . 15.0 110.072 -165.635 . . . . . . . . 6 4 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 2.3 mt-10 -57.09 -47.66 80.49 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.836 -1.529 . . . . 15.0 109.905 173.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.617 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 36.2 mt-10 -68.71 -50.3 51.93 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.282 -176.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.087 ' CZ3' ' HB3' ' A' ' 16' ' ' PHE . 48.4 t90 -63.93 -24.29 67.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.183 0.992 . . . . 15.0 111.438 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.0 t -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.654 -1.612 . . . . 15.0 109.743 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.01 43.61 1.68 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 109.874 -1.29 . . . . 15.0 109.874 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.788 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.452 -0.785 . . . . 15.0 110.082 -174.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 122.284 1.04 . . . . 15.0 111.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.0 mm 64.32 33.16 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.56 0 CA-C-O 125.802 2.715 . . . . 15.0 110.814 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.19 2.57 1.15 Allowed 'General case' 0 C--N 1.247 -3.86 1 CA-C-N 107.265 -4.516 . . . . 15.0 115.572 169.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.689 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.49 -37.25 28.22 Favored 'General case' 1 C--N 1.241 -4.123 0 CA-C-N 110.797 -2.911 . . . . 15.0 107.772 174.56 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.664 ' HA ' HD21 ' A' ' 52' ' ' LEU . 34.1 ptt85 -66.47 -50.3 63.76 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.286 -2.234 . . . . 15.0 112.112 -168.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.902 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 41.4 m-80 -65.3 -13.04 57.53 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.485 -173.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.826 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.4 mt -66.47 -50.06 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.789 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.4 m-85 -69.15 -50.61 46.31 Favored 'General case' 0 C--O 1.17 -3.12 0 CA-C-O 117.187 -1.387 . . . . 15.0 112.732 -170.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.065 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.447 0.7 OUTLIER -39.47 -44.77 1.44 Allowed 'General case' 0 N--CA 1.512 2.652 0 C-N-CA 125.738 1.615 . . . . 15.0 111.085 165.985 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.94 -45.23 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.291 -1.003 . . . . 15.0 108.291 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 39' ' ' ASP . 5.6 mt -64.93 -30.62 71.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.121 171.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.054 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.2 m-30 -75.54 -30.08 59.62 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 -170.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -80.49 -41.89 23.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.48 169.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 18' ' ' ARG . 14.1 ttm180 -55.69 -27.72 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.235 -0.893 . . . . 15.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' HD1' ' O ' ' A' ' 15' ' ' LEU . 79.3 m-85 -114.15 9.52 17.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.116 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 44.71 77.96 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.937 -1.029 . . . . 15.0 112.906 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 30' ' ' GLN . 17.4 mt -87.17 -168.78 2.36 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.89 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.901 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 15.8 m-20 -130.8 107.19 8.96 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.031 -1.47 . . . . 15.0 107.031 168.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -82.31 -6.74 59.45 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 114.119 -1.4 . . . . 15.0 110.141 -162.575 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.693 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 66.6 t80 -127.85 -28.81 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.245 -1.343 . . . . 15.0 110.841 -173.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 19.7 m -60.25 -74.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.573 -0.74 . . . . 15.0 111.61 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.16 164.71 27.06 Favored 'General case' 0 CA--C 1.461 -2.451 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 174.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.116 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.7 t-105 -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.097 -1.41 . . . . 15.0 110.312 168.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.833 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.316 2.0 p -81.49 -26.89 34.83 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 118.952 2.945 . . . . 15.0 118.952 -170.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.4 tt -52.05 -30.34 25.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 121.655 2.025 . . . . 15.0 106.073 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.901 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 3.8 mp0 -81.77 -47.3 13.05 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 112.111 -2.313 . . . . 15.0 109.564 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.024 ' HA ' HD13 ' A' ' 34' ' ' ILE 0.253 60.4 p -80.28 -23.98 40.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 118.597 2.814 . . . . 15.0 118.597 -179.135 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 28' ' ' SER . 22.0 ptmt -76.8 -9.98 59.06 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.082 -1.451 . . . . 15.0 107.082 168.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.4 ttmp? -88.61 -70.75 0.63 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.508 -1.678 . . . . 15.0 112.228 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 1.024 HD13 ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -57.85 -27.96 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 113.808 1.04 . . . . 15.0 113.808 -177.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tm-20 -28.54 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.044 1.338 . . . . 15.0 114.31 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.74 29.32 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.381 1.252 . . . . 15.0 114.381 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 35' ' ' GLU . 19.7 m-20 -123.4 142.22 38.21 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' O ' ' HE3' ' A' ' 42' ' ' LYS . 50.3 Cg_exo -55.31 -24.05 40.66 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.064 2.51 . . . . 15.0 112.871 -176.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.881 ' HB3' HD13 ' A' ' 15' ' ' LEU . 17.1 m-20 -71.51 -43.37 66.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.565 -175.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.849 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 82.3 t80 -73.22 -10.08 59.39 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.718 -0.614 . . . . 15.0 109.899 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.25 1.28 57.31 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.628 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.789 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 8.0 mmpt? -54.61 -53.72 50.97 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.111 0.481 . . . . 15.0 110.523 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.689 HD11 ' HB2' ' A' ' 8' ' ' GLU . 44.8 mm -91.02 130.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.259 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -59.32 -51.38 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.805 . . . . 15.0 111.413 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -83.06 123.25 29.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.271 0.558 . . . . 15.0 111.235 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.7 t70 -76.26 -29.01 57.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.398 -0.819 . . . . 15.0 110.584 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.409 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 10.7 t -73.24 2.02 8.21 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.249 0.547 . . . . 15.0 111.144 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.645 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.0 t -106.73 -28.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.707 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 96.0 mtt180 -57.3 -42.81 82.48 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 115.195 -0.911 . . . . 15.0 111.642 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.116 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.51 -31.77 37.06 Favored 'General case' 0 N--CA 1.432 -1.367 0 C-N-CA 119.171 -1.012 . . . . 15.0 112.791 -176.238 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 m -63.7 -9.78 15.88 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.341 0.591 . . . . 15.0 110.157 171.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.707 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 25.3 mt -70.6 -50.17 39.99 Favored 'General case' 0 CA--C 1.464 -2.341 0 CA-C-O 125.39 2.519 . . . . 15.0 113.961 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.726 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.533 0.0 OUTLIER -79.87 -28.76 39.94 Favored 'General case' 2 C--N 1.204 -5.723 1 CA-C-N 107.955 -4.202 . . . . 15.0 110.624 -158.567 . . . . . . . . 6 4 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 1.6 mt-10 -60.76 -36.8 79.86 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 112.935 -1.939 . . . . 15.0 109.919 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.65 -50.17 39.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.289 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.065 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 23.5 t90 -69.62 -14.42 62.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.596 1.188 . . . . 15.0 111.223 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' ' 24' ' ' PHE . 14.2 t -62.85 -50.24 71.71 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 113.782 -1.554 . . . . 15.0 110.124 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.3 26.85 21.57 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.025 -1.23 . . . . 15.0 110.025 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 1.007 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.1 tp10 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.225 -0.988 . . . . 15.0 110.058 -173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.225 -0.192 0 CA-C-O 121.605 0.717 . . . . 15.0 110.222 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.502 HG21 ' HD3' ' A' ' 9' ' ' ARG . 40.3 pt 43.0 93.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 114.514 -1.221 . . . . 15.0 113.699 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -173.72 -52.46 0.01 OUTLIER 'General case' 0 CA--C 1.47 -2.118 0 CA-C-O 126.911 3.243 . . . . 15.0 110.189 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.498 ' HB2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.79 -30.71 40.68 Favored 'General case' 1 C--N 1.197 -6.033 1 CA-C-N 103.694 -6.139 . . . . 15.0 111.05 -176.562 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.729 ' HA ' HD21 ' A' ' 52' ' ' LEU . 18.1 ptt180 -57.23 -50.34 73.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.513 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.932 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 43.1 m-80 -62.72 -19.72 64.2 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.943 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.831 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.0 mt -58.98 -49.44 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.773 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 3.7 m-85 -70.38 -51.02 32.8 Favored 'General case' 0 C--O 1.17 -3.112 0 CA-C-O 116.621 -1.657 . . . . 15.0 112.385 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.091 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.368 0.3 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 N--CA 1.511 2.584 0 C-N-CA 125.423 1.489 . . . . 15.0 110.631 165.239 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.38 -43.26 86.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.044 -0.354 . . . . 15.0 110.044 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.048 HD12 ' HB3' ' A' ' 39' ' ' ASP . 9.7 mt -64.71 -31.61 72.91 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 170.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.067 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.5 m-30 -75.91 -29.86 58.55 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 108.453 -0.943 . . . . 15.0 108.453 -169.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.23 -46.12 16.81 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.995 -1.002 . . . . 15.0 110.803 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.92 -28.91 62.58 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.927 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -111.09 11.56 21.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.08 -0.711 . . . . 15.0 109.08 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.6 mptp? 48.28 84.51 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 114.564 -1.198 . . . . 15.0 112.972 175.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.931 HD13 ' HB3' ' A' ' 30' ' ' GLN . 48.5 mt -97.45 147.85 23.8 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 122.487 1.137 . . . . 15.0 111.36 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 5.2 m-20 -87.06 81.99 7.88 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 112.669 -2.06 . . . . 15.0 105.818 168.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.991 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -53.65 -19.81 4.49 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.39 -2.187 . . . . 15.0 112.985 -163.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -108.47 -3.71 17.91 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 t -79.4 -76.56 0.2 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.861 0.362 . . . . 15.0 111.206 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -136.07 161.9 34.42 Favored 'General case' 0 CA--C 1.456 -2.67 0 N-CA-C 107.798 -1.186 . . . . 15.0 107.798 174.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.149 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 5.4 t-105 -67.53 -52.9 33.42 Favored 'General case' 0 C--N 1.269 -2.923 0 C-N-CA 117.096 -1.842 . . . . 15.0 109.957 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.789 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.448 2.7 p -82.86 -30.62 28.48 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 120.556 3.539 . . . . 15.0 120.556 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.6 OUTLIER -48.02 -34.05 8.85 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 105.524 -2.028 . . . . 15.0 105.524 177.488 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.931 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -82.28 -50.75 8.61 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 112.783 -2.008 . . . . 15.0 111.704 173.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.761 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 95.1 p -74.1 -14.65 61.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.327 1.603 . . . . 15.0 115.327 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.789 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 11.0 mmmm -65.56 -9.54 27.36 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 166.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 8.7 mtpm? -102.55 -9.88 19.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.312 -171.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.712 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -113.49 -27.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.706 -1.134 . . . . 15.0 109.093 173.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.657 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 23.3 tt0 -27.68 -83.78 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.966 1.307 . . . . 15.0 114.471 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 15.0 112.154 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 1.9 m-20 -93.89 141.92 24.37 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.955 -0.757 . . . . 15.0 108.955 174.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.68 -25.72 35.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.96 2.44 . . . . 15.0 113.053 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.048 ' HB3' HD12 ' A' ' 15' ' ' LEU . 16.5 m-20 -80.04 -25.57 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.496 0.554 . . . . 15.0 112.496 -174.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 48.2 t80 -71.27 -23.0 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -88.52 7.95 30.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.215 -0.902 . . . . 15.0 110.827 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.773 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 32.1 mmtp -66.67 -28.54 68.54 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.422 -0.585 . . . . 15.0 109.422 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 12' ' ' PHE . 37.6 mm -110.67 126.88 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.514 -0.767 . . . . 15.0 109.792 175.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.3 -59.69 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.966 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.29 116.44 20.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.471 -0.786 . . . . 15.0 111.22 -174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 24.3 t70 -63.21 -29.88 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.454 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -2.46 17.57 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.305 0.574 . . . . 15.0 110.878 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 58.0 t -104.99 -24.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 15.0 109.792 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.735 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -64.07 -48.21 77.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.35 0.595 . . . . 15.0 111.003 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.149 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.75 -9.86 59.77 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.273 1.035 . . . . 15.0 113.28 178.017 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.713 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 21.4 m -74.06 -9.42 58.61 Favored 'General case' 0 C--N 1.277 -2.566 0 O-C-N 121.709 -0.619 . . . . 15.0 110.076 161.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.735 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 47.2 mt -77.54 -50.07 13.37 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-O 125.191 2.424 . . . . 15.0 113.847 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.691 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.52 0.0 OUTLIER -79.91 -32.87 40.21 Favored 'General case' 2 C--N 1.204 -5.747 0 CA-C-N 108.666 -3.879 . . . . 15.0 109.4 -162.311 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.713 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 4.1 pt-20 -59.13 -33.85 71.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 112.729 -2.032 . . . . 15.0 110.597 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 26.9 mt-10 -80.34 -50.46 10.12 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 111.932 0.345 . . . . 15.0 111.932 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.091 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 30.7 t90 -62.72 -19.92 64.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.068 0.937 . . . . 15.0 111.404 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.4 t -62.98 -49.99 72.51 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.129 -1.396 . . . . 15.0 110.171 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.43 45.78 1.27 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.817 -1.313 . . . . 15.0 109.817 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.869 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.592 -0.718 . . . . 15.0 109.903 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 CA--C 1.5 -0.964 0 CA-C-O 122.108 0.956 . . . . 15.0 108.726 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.574 HG22 ' HD3' ' A' ' 9' ' ' ARG . 27.3 pt 28.72 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 112.288 -2.233 . . . . 15.0 114.236 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -168.35 -51.9 0.02 OUTLIER 'General case' 0 CA--C 1.466 -2.271 0 CA-C-O 126.491 3.043 . . . . 15.0 111.492 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.83 -25.24 58.86 Favored 'General case' 1 C--N 1.197 -6.041 1 CA-C-N 104.6 -5.727 . . . . 15.0 109.26 -178.939 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.871 ' HA ' HD21 ' A' ' 52' ' ' LEU . 19.9 ptt180 -54.01 -50.41 66.68 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.74 -1.118 . . . . 15.0 110.567 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.946 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 36.7 m-80 -62.57 -20.53 64.79 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.093 -175.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.838 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.0 mm -61.3 -44.18 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 174.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.748 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -77.09 -50.76 12.32 Favored 'General case' 0 C--O 1.172 -3.022 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.835 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.058 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.374 0.2 OUTLIER -39.17 -44.33 1.19 Allowed 'General case' 0 N--CA 1.511 2.616 0 CA-C-N 120.404 1.456 . . . . 15.0 110.117 164.639 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 1.1 tm-20 -64.71 -48.12 75.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.174 -0.676 . . . . 15.0 109.174 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.6 mt -63.78 -31.04 72.08 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.39 171.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.037 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.1 m-30 -77.49 -26.36 51.2 Favored 'General case' 0 N--CA 1.398 -3.038 0 N-CA-C 107.809 -1.182 . . . . 15.0 107.809 -168.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.23 -45.9 17.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.813 -1.085 . . . . 15.0 110.11 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -62.6 -21.88 65.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.739 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.82 7.34 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.731 -0.47 . . . . 15.0 109.731 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 45.54 67.53 0.72 Allowed 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.722 -1.126 . . . . 15.0 112.571 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD12 ' HB3' ' A' ' 30' ' ' GLN . 25.4 mt -81.87 144.41 31.02 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 122.296 1.046 . . . . 15.0 111.162 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -82.91 86.37 6.96 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 113.007 -1.906 . . . . 15.0 106.36 170.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.985 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -59.08 -27.77 65.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.084 -1.871 . . . . 15.0 111.854 -165.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -96.48 -14.97 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.621 0.6 . . . . 15.0 112.621 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -69.44 -74.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.136 0.493 . . . . 15.0 111.405 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -148.85 161.62 41.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 107.802 -1.185 . . . . 15.0 107.802 179.198 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.161 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.5 t-105 -68.87 -52.44 29.65 Favored 'General case' 0 C--N 1.271 -2.826 0 C-N-CA 116.963 -1.895 . . . . 15.0 109.455 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.828 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.373 3.0 p -82.44 -24.34 34.36 Favored 'General case' 0 N--CA 1.423 -1.798 0 N-CA-C 119.718 3.229 . . . . 15.0 119.718 -176.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 4.1 tt -51.85 -33.16 35.06 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 105.087 -2.19 . . . . 15.0 105.087 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.922 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -82.43 -50.21 9.12 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.444 -2.162 . . . . 15.0 111.279 175.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.828 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 11.2 p -78.55 -10.14 59.61 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 117.207 2.299 . . . . 15.0 117.207 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.726 ' HZ3' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.01 -9.82 59.72 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 169.166 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.683 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 48.2 mmtt -85.49 -68.41 0.73 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.054 -1.884 . . . . 15.0 111.029 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.905 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -57.76 -31.58 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -176.205 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.823 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -38.12 117.15 0.58 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.205 1.003 . . . . 15.0 112.599 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 87.16 -0.06 0.52 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 112.087 -2.324 . . . . 15.0 111.249 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -90.39 143.17 28.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.006 -0.739 . . . . 15.0 109.006 170.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.94 -27.57 64.17 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.911 2.408 . . . . 15.0 113.018 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.712 ' HB3' HD12 ' A' ' 15' ' ' LEU . 3.2 m-20 -62.66 -48.77 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.174 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.905 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 54.5 t80 -70.09 -11.35 60.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.826 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -94.38 4.4 53.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.623 -0.262 . . . . 15.0 111.568 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.599 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 64.2 mmtt -63.35 -44.81 93.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.63 0.253 . . . . 15.0 111.292 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.748 HG12 ' CE1' ' A' ' 12' ' ' PHE . 36.2 mm -89.26 131.07 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -58.26 -43.92 88.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.035 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.55 123.55 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.443 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 22.4 t70 -77.52 -21.98 51.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.126 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -74.39 -2.42 25.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.335 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 87.2 t -110.43 -24.57 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.244 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 95.6 mtt180 -56.29 -49.77 73.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.29 0.567 . . . . 15.0 111.422 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.161 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.95 -10.28 59.73 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 113.882 1.067 . . . . 15.0 113.882 177.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.8 m -76.83 -9.73 58.88 Favored 'General case' 0 C--N 1.28 -2.455 0 C-N-CA 119.463 -0.895 . . . . 15.0 110.138 163.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.871 HD21 ' HA ' ' A' ' 9' ' ' ARG . 32.7 mt -75.58 -44.46 43.04 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 125.191 2.424 . . . . 15.0 114.126 -174.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.641 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.517 0.0 OUTLIER -79.74 -28.94 40.43 Favored 'General case' 2 C--N 1.204 -5.757 0 CA-C-N 108.534 -3.939 . . . . 15.0 110.038 -160.854 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.56 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -56.06 -38.13 70.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.065 -1.879 . . . . 15.0 109.81 171.362 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.05 -50.69 18.54 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.568 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.058 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.2 t90 -68.25 -18.93 64.67 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.039 . . . . 15.0 111.01 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.23 -47.78 75.59 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 113.409 -1.723 . . . . 15.0 109.258 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.73 40.29 2.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.12 -1.192 . . . . 15.0 110.12 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.903 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.085 -173.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 pt 42.11 92.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.835 1.254 . . . . 15.0 114.085 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 179.43 -44.74 0.01 OUTLIER 'General case' 0 CA--C 1.471 -2.069 0 CA-C-O 126.602 3.096 . . . . 15.0 111.505 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.481 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -79.94 -18.59 50.08 Favored 'General case' 1 C--N 1.196 -6.101 1 CA-C-N 104.775 -5.648 . . . . 15.0 110.564 179.775 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' HD23 ' A' ' 52' ' ' LEU . 15.2 ptt180 -58.45 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.505 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.942 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 39.1 m-80 -63.45 -22.46 66.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.125 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.799 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.7 mt -60.43 -46.9 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.842 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 2.7 m-85 -70.48 -50.76 34.67 Favored 'General case' 0 C--O 1.173 -2.946 0 CA-C-O 116.655 -1.64 . . . . 15.0 112.291 -174.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.041 ' CG ' ' HB2' ' A' ' 56' ' ' TRP 0.4 0.4 OUTLIER -39.32 -47.03 1.67 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.024 1.33 . . . . 15.0 110.439 164.14 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.25 -39.34 86.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.936 0.398 . . . . 15.0 110.256 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.799 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 11.1 mt -70.58 -28.9 65.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 171.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.06 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.0 m-30 -79.86 -25.3 40.75 Favored 'General case' 0 N--CA 1.393 -3.302 0 N-CA-C 106.804 -1.554 . . . . 15.0 106.804 -171.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' PHE . 31.9 t70 -80.33 -46.55 15.93 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.202 . . . . 15.0 109.864 171.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.8 ttp180 -59.05 -24.61 63.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.598 -1.183 . . . . 15.0 111.183 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -105.1 -2.59 24.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.592 -0.443 . . . . 15.0 109.826 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.773 ' HB2' ' HZ1' ' A' ' 20' ' ' LYS . 5.2 mtmp? 54.39 72.53 0.45 Allowed 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.457 -0.792 . . . . 15.0 110.654 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.927 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -82.63 166.13 19.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 121.679 0.752 . . . . 15.0 110.456 -177.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.58 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 19.0 m-20 -96.32 86.09 4.12 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.817 -1.549 . . . . 15.0 106.817 166.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.994 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.52 -31.21 71.95 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 112.772 -2.013 . . . . 15.0 110.941 -169.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -101.13 -2.29 31.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.847 -0.615 . . . . 15.0 112.619 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 t -80.74 -79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.087 0.47 . . . . 15.0 110.773 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -144.53 153.1 41.49 Favored 'General case' 0 CA--C 1.467 -2.236 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.128 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 14.8 t-105 -67.23 -51.41 53.52 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 113.845 -1.525 . . . . 15.0 109.233 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.823 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.268 2.3 p -81.28 -23.84 37.65 Favored 'General case' 0 N--CA 1.416 -2.128 0 N-CA-C 117.414 2.376 . . . . 15.0 117.414 -173.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 29' ' ' LEU . 6.7 tt -53.52 -28.72 32.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.532 -2.025 . . . . 15.0 105.532 173.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.927 ' HB3' HD11 ' A' ' 21' ' ' LEU . 9.3 mm-40 -81.67 -50.32 9.45 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 113.179 -1.828 . . . . 15.0 110.569 173.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.087 ' HA ' HD12 ' A' ' 34' ' ' ILE . 54.4 p -78.64 -24.71 45.11 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 117.866 2.543 . . . . 15.0 117.866 -175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' SER . 9.3 ptmm? -80.16 -10.69 59.77 Favored 'General case' 0 C--N 1.313 -1.022 0 O-C-N 120.609 -1.307 . . . . 15.0 107.496 166.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.649 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 62.7 tttp -86.02 -67.59 0.8 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.76 -1.564 . . . . 15.0 112.105 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 1.087 HD12 ' HA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -52.97 -45.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 120.923 0.392 . . . . 15.0 111.774 -177.314 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.752 ' H ' HD11 ' A' ' 34' ' ' ILE . 2.4 tm-20 17.92 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.534 1.934 . . . . 15.0 114.934 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.445 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 6.9 p30 -72.82 5.53 3.15 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.227 1.195 . . . . 15.0 114.227 -172.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.03 144.16 67.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.015 -0.428 . . . . 15.0 110.597 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.98 -27.74 55.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.322 2.681 . . . . 15.0 112.407 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' CG ' HH21 ' A' ' 18' ' ' ARG . 1.1 m-20 -62.2 -50.01 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.321 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.865 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 73.7 t80 -74.99 -10.16 59.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.107 0.48 . . . . 15.0 110.722 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 36' ' ' ASN . 17.3 m-30 -100.16 10.58 41.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.444 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.842 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.3 mmtt -69.84 -21.97 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.207 0.527 . . . . 15.0 110.199 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.735 HD12 HD12 ' A' ' 52' ' ' LEU . 72.0 mt -122.17 125.96 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.818 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.609 . . . . 15.0 112.392 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.58 119.44 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.205 0.526 . . . . 15.0 111.624 -174.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 26.4 t70 -72.78 -25.51 61.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.09 -0.959 . . . . 15.0 110.316 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.06 1.28 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 15.0 111.984 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.4 t -107.03 -26.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 172.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.663 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.9 mtt180 -60.34 -48.76 80.35 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.856 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.128 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.82 -14.04 58.4 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 114.057 1.132 . . . . 15.0 114.057 179.313 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -71.62 -9.68 58.62 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.56 -0.856 . . . . 15.0 110.378 165.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 9' ' ' ARG . 49.1 mt -76.97 -50.4 13.29 Favored 'General case' 0 CA--C 1.46 -2.504 0 CA-C-O 125.959 2.79 . . . . 15.0 113.713 -174.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.845 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS 0.537 0.0 OUTLIER -70.24 -30.63 67.73 Favored 'General case' 2 C--N 1.2 -5.897 1 CA-C-N 107.108 -4.587 . . . . 15.0 110.193 -165.627 . . . . . . . . 6 4 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -55.87 -50.12 71.48 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.841 -1.527 . . . . 15.0 109.77 172.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.72 -48.81 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.154 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.06 ' CH2' ' HB3' ' A' ' 16' ' ' PHE . 61.1 t90 -71.39 -20.46 62.14 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.177 0.989 . . . . 15.0 111.656 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.76 -50.05 47.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.822 -1.081 . . . . 15.0 109.232 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.79 41.18 2.27 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.078 -1.209 . . . . 15.0 110.078 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.701 -0.749 . . . . 15.0 109.43 -173.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 121.564 0.697 . . . . 15.0 109.965 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.416 HG22 ' HD3' ' A' ' 9' ' ' ARG . 30.1 pt 39.3 90.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 114.49 -1.232 . . . . 15.0 113.321 -174.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -164.39 -53.86 0.03 OUTLIER 'General case' 0 CA--C 1.468 -2.18 0 CA-C-O 126.657 3.122 . . . . 15.0 110.775 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -68.08 -30.61 69.84 Favored 'General case' 1 C--N 1.199 -5.96 2 CA-C-N 103.788 -6.096 . . . . 15.0 109.969 -179.938 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.673 ' HA ' HD23 ' A' ' 52' ' ' LEU . 19.4 ptt180 -54.29 -50.14 68.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.113 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.945 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 26.2 m-80 -61.87 -19.86 63.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.663 -0.698 . . . . 15.0 110.904 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.833 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 70.4 mt -60.47 -45.69 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.386 -0.598 . . . . 15.0 109.386 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.69 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -73.63 -51.08 17.99 Favored 'General case' 0 C--O 1.176 -2.803 0 CA-C-O 116.828 -1.558 . . . . 15.0 112.447 -173.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.056 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.341 0.2 OUTLIER -39.73 -44.19 1.52 Allowed 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 124.822 1.249 . . . . 15.0 110.155 163.828 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.73 -50.01 68.57 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.504 0.669 . . . . 15.0 109.459 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.946 HD11 ' HB3' ' A' ' 39' ' ' ASP . 12.2 mt -60.55 -31.6 70.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.89 -1.05 . . . . 15.0 108.835 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.053 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.3 m-30 -79.98 -26.58 39.87 Favored 'General case' 0 N--CA 1.389 -3.489 0 N-CA-C 107.575 -1.269 . . . . 15.0 107.575 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.54 -45.22 17.78 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.927 171.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 18' ' ' ARG . 32.2 ttt85 -60.58 -24.9 65.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.592 -1.186 . . . . 15.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -104.74 1.02 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.298 -1.001 . . . . 15.0 108.298 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 1.0 OUTLIER 39.59 83.17 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.978 -1.465 . . . . 15.0 111.941 -175.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.98 HD13 ' HB3' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -86.32 164.42 17.11 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 114.295 -1.321 . . . . 15.0 110.073 -177.026 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.69 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 15.7 m-20 -90.56 79.61 6.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.049 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.84 -28.87 70.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.018 -2.356 . . . . 15.0 110.876 -169.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -106.6 28.74 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.838 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -117.77 -80.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -142.06 154.56 45.05 Favored 'General case' 0 CA--C 1.47 -2.119 0 CA-C-O 121.777 0.799 . . . . 15.0 109.092 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.136 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.8 t-105 -68.53 -51.48 42.56 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.677 -1.602 . . . . 15.0 109.494 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.836 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.284 2.6 p -81.31 -23.76 37.62 Favored 'General case' 0 N--CA 1.412 -2.359 0 N-CA-C 117.005 2.224 . . . . 15.0 117.005 -173.147 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 tp -49.2 -32.57 10.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.096 -1.816 . . . . 15.0 106.096 170.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.98 ' HB3' HD13 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.8 -50.44 9.23 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.63 -2.077 . . . . 15.0 111.396 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.957 ' HA ' HD12 ' A' ' 34' ' ' ILE . 16.4 p -79.1 -20.78 47.84 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 117.529 2.418 . . . . 15.0 117.529 -175.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -80.24 -15.61 56.6 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.058 -1.46 . . . . 15.0 107.058 165.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 52.7 tttp -84.01 -63.08 1.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 113.394 -1.73 . . . . 15.0 112.516 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.957 HD12 ' HA ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -56.67 -34.77 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -176.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.911 ' H ' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -36.62 139.2 0.19 Allowed 'General case' 0 N--CA 1.428 -1.538 0 CA-C-O 123.388 1.566 . . . . 15.0 112.57 173.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 t30 81.29 -20.45 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 110.02 -3.264 . . . . 15.0 111.549 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 52.7 m-20 -79.02 144.45 63.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.126 -0.359 . . . . 15.0 110.084 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.725 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 26.5 Cg_exo -62.36 -13.7 34.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.656 2.238 . . . . 15.0 112.602 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.946 ' HB3' HD11 ' A' ' 15' ' ' LEU . 53.7 m-20 -80.12 -37.03 34.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -175.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.677 ' CG ' HD13 ' A' ' 34' ' ' ILE . 30.8 t80 -65.54 -30.31 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.226 -0.59 . . . . 15.0 111.133 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.725 ' CZ ' ' HA ' ' A' ' 38' ' ' PRO . 12.3 p90 -99.3 25.96 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.881 -0.728 . . . . 15.0 111.549 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 35.6 mmtm -63.6 -30.92 71.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.263 0.554 . . . . 15.0 109.791 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.69 HG12 ' CE1' ' A' ' 12' ' ' PHE . 39.5 mm -103.03 135.54 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.117 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -58.0 -29.63 65.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.354 -0.839 . . . . 15.0 112.714 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.593 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.5 m-20 -117.84 146.07 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.491 0.663 . . . . 15.0 111.642 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.9 t70 -92.56 -28.8 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 15.0 111.116 -175.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -80.93 16.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.93 0.871 . . . . 15.0 109.998 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.677 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 t -117.35 -22.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.947 -1.024 . . . . 15.0 108.513 169.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.0 mtt180 -63.67 -47.93 79.26 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.139 -0.937 . . . . 15.0 111.255 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.136 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.58 -9.81 59.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.695 0.998 . . . . 15.0 113.695 177.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 m -76.42 -9.7 58.85 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 119.567 -0.853 . . . . 15.0 110.615 162.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 49.6 mt -76.11 -46.71 27.55 Favored 'General case' 0 CA--C 1.466 -2.278 0 CA-C-O 125.053 2.359 . . . . 15.0 114.02 -174.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.629 ' HD1' ' CD ' ' A' ' 23' ' ' LYS 0.506 0.1 OUTLIER -80.06 -31.58 39.4 Favored 'General case' 2 C--N 1.203 -5.766 0 CA-C-N 108.687 -3.869 . . . . 15.0 110.312 -162.363 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.76 -45.59 74.22 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.718 -1.583 . . . . 15.0 109.331 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.38 -50.49 45.65 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.567 -0.742 . . . . 15.0 112.305 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.056 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 33.4 t90 -66.08 -19.59 65.9 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.143 0.973 . . . . 15.0 111.175 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.417 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 53.3 t -64.83 -45.89 84.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.026 -1.443 . . . . 15.0 109.774 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.27 24.99 10.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.519 -1.033 . . . . 15.0 110.519 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.92 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.46 -0.87 . . . . 15.0 109.864 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.514 -0.439 0 N-CA-C 109.16 -0.681 . . . . 15.0 109.16 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 pt 29.92 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 113.821 -1.536 . . . . 15.0 114.198 -176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -166.82 -52.3 0.03 OUTLIER 'General case' 0 CA--C 1.467 -2.236 0 CA-C-O 126.672 3.13 . . . . 15.0 111.002 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.92 -30.59 71.19 Favored 'General case' 1 C--N 1.198 -6.005 1 CA-C-N 104.124 -5.944 . . . . 15.0 110.538 -178.994 . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.762 ' HA ' HD23 ' A' ' 52' ' ' LEU . 47.1 ptt85 -55.25 -50.35 69.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.769 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.964 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 24.6 m-80 -59.29 -25.67 64.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.589 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.756 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.4 mt -54.89 -50.09 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 O-C-N 123.499 0.5 . . . . 15.0 109.657 173.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.606 ' CD2' HD11 ' A' ' 52' ' ' LEU . 3.7 m-85 -71.6 -50.86 26.93 Favored 'General case' 0 C--O 1.167 -3.237 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.293 -172.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.044 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.38 0.3 OUTLIER -39.71 -47.39 2.02 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.425 1.466 . . . . 15.0 110.594 165.618 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 10' ' ' ASN . 38.2 mt-10 -69.41 -39.41 77.94 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.582 -0.447 . . . . 15.0 109.983 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -66.32 -32.37 73.73 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 107.813 -1.18 . . . . 15.0 107.813 169.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 1.054 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.5 m-30 -77.97 -24.61 48.02 Favored 'General case' 0 N--CA 1.392 -3.346 0 N-CA-C 107.532 -1.284 . . . . 15.0 107.532 -168.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.9 t70 -80.47 -44.85 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.481 0.658 . . . . 15.0 109.994 170.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -58.93 -27.45 65.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.702 -1.136 . . . . 15.0 110.899 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.723 ' HD2' ' HZ3' ' A' ' 33' ' ' LYS . 6.3 m-85 -106.23 11.56 31.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm 39.6 70.08 0.25 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.852 1.345 . . . . 15.0 112.055 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.977 HD11 ' HB3' ' A' ' 30' ' ' GLN . 0.8 OUTLIER -79.08 165.5 23.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.442 -175.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.559 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 5.2 m-20 -97.73 87.31 4.01 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.563 -1.643 . . . . 15.0 106.563 165.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.988 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.09 -30.0 71.25 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 112.617 -2.083 . . . . 15.0 110.876 -169.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -87.91 -30.4 20.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.522 0.564 . . . . 15.0 112.522 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -63.47 -80.59 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.52 154.47 47.68 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-O 121.854 0.835 . . . . 15.0 109.27 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 1.117 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.4 t-105 -66.53 -51.56 55.23 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 113.597 -1.638 . . . . 15.0 108.932 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.875 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.283 5.5 p -81.36 -31.96 33.14 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 117.608 2.447 . . . . 15.0 117.608 -172.173 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 33.9 tp -49.83 -27.98 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 175.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.977 ' HB3' HD11 ' A' ' 21' ' ' LEU . 8.2 mm-40 -82.06 -50.31 9.22 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 112.851 -1.977 . . . . 15.0 111.186 170.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.875 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 57.7 p -80.18 -40.9 26.32 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.759 2.133 . . . . 15.0 116.759 -173.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.789 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.9 ptmm? -64.82 -9.66 22.35 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.965 -1.124 . . . . 15.0 107.965 170.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.723 ' HZ3' ' HD2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -99.09 -51.87 3.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.593 -1.185 . . . . 15.0 110.614 177.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.685 HD12 ' HE1' ' A' ' 16' ' ' PHE . 4.0 pt -73.06 -5.6 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.333 0.587 . . . . 15.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.962 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 9.2 tt0 -45.76 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.419 -1.264 . . . . 15.0 112.242 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -27.34 5.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.966 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 28.3 m-20 -68.17 158.41 84.31 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 15.0 110.875 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.94 2.41 4.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.02 1.813 . . . . 15.0 110.745 168.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.587 ' HB3' ' HB ' ' A' ' 34' ' ' ILE . 9.1 t0 -67.76 -50.5 56.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.912 -1.04 . . . . 15.0 109.674 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.962 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.59 -44.47 85.41 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.238 175.447 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.89 9.74 3.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.152 -0.931 . . . . 15.0 113.099 -165.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 70.5 mmtt -77.68 -25.9 49.87 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.46 -0.571 . . . . 15.0 109.46 172.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.631 HD12 HD12 ' A' ' 52' ' ' LEU . 75.9 mt -127.46 126.34 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.358 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 14.0 ptt180 -65.46 -42.87 91.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 15.0 111.348 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.534 ' N ' ' HG3' ' A' ' 44' ' ' ARG . 9.3 m-20 -77.13 106.42 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.197 0.523 . . . . 15.0 111.234 -174.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 25.6 t70 -67.67 -23.94 65.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -73.4 -6.31 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 15.0 111.339 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.9 t -104.45 -28.82 2.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.592 -0.522 . . . . 15.0 109.592 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 89.2 mtt180 -55.52 -49.44 72.59 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.018 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.117 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.81 -10.12 59.75 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.278 1.214 . . . . 15.0 114.278 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.7 m -71.98 -9.5 58.45 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.183 -1.007 . . . . 15.0 110.446 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 9' ' ' ARG . 19.8 mt -76.86 -50.08 14.23 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-O 125.333 2.492 . . . . 15.0 113.895 -173.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.697 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.518 0.0 OUTLIER -78.14 -29.99 49.04 Favored 'General case' 2 C--N 1.199 -5.965 0 CA-C-N 108.415 -3.993 . . . . 15.0 110.161 -163.636 . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -47.31 69.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.933 -1.485 . . . . 15.0 109.428 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.781 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 23.4 mm-40 -75.24 -50.54 15.81 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.668 -0.696 . . . . 15.0 112.018 -172.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 1.054 ' CH2' ' HB3' ' A' ' 16' ' ' PHE . 41.8 t90 -60.98 -23.56 65.45 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.546 1.165 . . . . 15.0 111.312 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.504 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 42.8 t -68.74 -50.36 51.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.528 -1.669 . . . . 15.0 111.167 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.96 41.87 2.06 Favored Glycine 0 CA--C 1.495 -1.166 0 N-CA-C 109.211 -1.555 . . . . 15.0 109.211 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.781 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 20.5 tt0 . . . . . 0 N--CA 1.435 -1.184 0 CA-C-N 114.626 -0.787 . . . . 15.0 110.898 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 CA--C 1.471 -2.072 0 CA-C-O 126.573 3.082 . . . . 15.0 111.283 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -78.44 -24.59 46.0 Favored 'General case' 1 C--N 1.198 -6.018 1 CA-C-N 104.448 -5.797 . . . . 15.0 109.914 -179.906 . . . . . . . . 5 4 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 10' ' ' ASN . 22.0 ptt180 -56.11 -50.18 71.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.669 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.962 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 42.7 m-80 -60.95 -19.81 61.39 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.066 -176.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mm -59.46 -44.74 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 172.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.694 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.7 m-85 -74.58 -51.11 15.47 Favored 'General case' 0 C--O 1.175 -2.838 0 CA-C-O 117.129 -1.415 . . . . 15.0 112.875 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.166 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.57 -45.18 1.57 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.015 1.326 . . . . 15.0 110.202 162.969 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 12.6 tp10 -63.38 -50.24 70.68 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.988 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.0 mt -59.99 -32.54 70.94 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.215 -0.902 . . . . 15.0 108.965 171.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.08 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m-30 -77.7 -30.65 51.94 Favored 'General case' 0 N--CA 1.392 -3.352 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 -167.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.56 -37.49 31.32 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.731 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -49.81 -35.51 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.166 -0.925 . . . . 15.0 111.175 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -111.27 12.85 21.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.08 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.61 76.77 0.05 Allowed 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 124.518 1.136 . . . . 15.0 112.174 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 30' ' ' GLN . 23.3 mt -77.03 -171.36 1.97 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.161 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.989 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 7.4 t70 -119.41 106.03 11.86 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 107.85 -1.167 . . . . 15.0 107.85 160.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.972 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -75.35 -0.54 20.16 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.199 -1.364 . . . . 15.0 110.435 -170.788 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.49 -47.14 2.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 35.6 t -47.24 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.535 0.734 . . . . 15.0 111.997 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 ' H ' ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -135.45 157.99 45.51 Favored 'General case' 0 CA--C 1.458 -2.588 0 N-CA-C 108.34 -0.985 . . . . 15.0 108.34 174.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.137 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.1 t-105 -72.91 -52.03 16.26 Favored 'General case' 0 C--N 1.27 -2.88 0 C-N-CA 117.409 -1.716 . . . . 15.0 109.046 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.88 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.303 6.0 p -82.19 -34.69 28.88 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 118.554 2.798 . . . . 15.0 118.554 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 13.4 tp -48.76 -31.16 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.348 -1.723 . . . . 15.0 106.348 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.989 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -82.08 -47.57 12.43 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 112.703 -2.044 . . . . 15.0 110.454 172.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.88 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 65.2 p -79.6 -40.36 29.53 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.898 2.184 . . . . 15.0 116.898 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.6 ptmm? -64.56 -9.37 18.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.328 -0.99 . . . . 15.0 108.328 171.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 23.6 ttmm -92.52 -40.45 10.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 113.995 -1.457 . . . . 15.0 109.584 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 40' ' ' PHE . 2.0 pt -86.39 -4.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.564 0.697 . . . . 15.0 109.867 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.93 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tt0 -44.61 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.957 -1.474 . . . . 15.0 114.023 -175.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.95 -25.13 1.24 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.595 -1.184 . . . . 15.0 112.94 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 5.0 m-20 -63.57 132.49 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.157 -0.312 . . . . 15.0 110.157 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.7 Cg_exo -56.43 -13.11 9.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.914 2.409 . . . . 15.0 112.451 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.988 ' HB3' HD13 ' A' ' 15' ' ' LEU . 8.0 m-20 -80.07 -29.04 39.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.063 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.93 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 2.0 t80 -61.6 -27.66 68.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.535 -0.913 . . . . 15.0 108.535 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -93.75 12.37 25.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.063 -0.971 . . . . 15.0 111.441 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 36.6 mmtm -59.45 -38.46 80.81 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 45' ' ' ASP . 47.0 mm -117.02 130.31 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.817 -1.083 . . . . 15.0 108.929 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -82.53 -9.36 59.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 15.0 110.126 -176.524 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 43' ' ' ILE . 5.9 m-20 -91.18 101.9 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.388 -0.824 . . . . 15.0 109.671 177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 27.2 t70 -66.81 -29.36 69.28 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -65.94 -13.67 60.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.587 -0.733 . . . . 15.0 111.415 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.425 ' O ' HD13 ' A' ' 52' ' ' LEU . 87.6 t -100.95 -33.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 15.0 110.046 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.805 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.1 mtt180 -53.02 -50.0 65.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.645 -0.707 . . . . 15.0 111.738 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.137 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.04 -27.03 39.5 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.007 -1.077 . . . . 15.0 112.606 -175.125 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -60.7 -12.54 10.72 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 120.148 -0.621 . . . . 15.0 110.395 168.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.36 -51.13 9.23 Favored 'General case' 0 CA--C 1.461 -2.442 0 CA-C-O 125.829 2.728 . . . . 15.0 113.64 -172.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.543 1.6 t80 -48.74 -43.19 37.34 Favored 'General case' 2 C--N 1.2 -5.893 1 CA-C-N 106.498 -4.865 . . . . 15.0 112.623 175.007 . . . . . . . . 5 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -69.74 -37.24 76.4 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.474 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.6 mt-10 -72.33 -50.63 25.43 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 118.792 -1.163 . . . . 15.0 109.631 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.166 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.8 t90 -58.08 -27.74 63.93 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.049 0.928 . . . . 15.0 111.461 -177.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -56.64 -41.36 77.04 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.549 -1.659 . . . . 15.0 109.351 -175.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' SG ' ' A' ' 57' ' ' CYS . . . -134.34 40.4 1.58 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.635 -1.386 . . . . 15.0 109.635 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.255 -0.973 . . . . 15.0 109.679 -172.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.9 p30 . . . . . 0 CA--C 1.479 -1.774 0 CA-C-O 125.578 2.609 . . . . 15.0 112.061 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -80.01 -38.38 32.19 Favored 'General case' 1 C--N 1.204 -5.732 1 CA-C-N 106.291 -4.958 . . . . 15.0 110.514 -179.431 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.695 ' HD3' ' OE1' ' A' ' 55' ' ' GLU . 12.2 ptp180 -75.3 -48.83 21.37 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.651 -1.159 . . . . 15.0 111.584 -170.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.946 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 3.2 m120 -68.98 -10.05 55.39 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.913 0.885 . . . . 15.0 109.537 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.839 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.2 mt -67.6 -45.31 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.199 -0.91 . . . . 15.0 109.313 168.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.1 m-85 -75.76 -51.22 13.15 Favored 'General case' 0 C--O 1.174 -2.921 0 CA-C-O 116.709 -1.615 . . . . 15.0 112.458 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.146 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.35 0.1 OUTLIER -39.67 -41.68 1.1 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.989 1.268 . . . . 15.0 110.013 162.737 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 13.2 tp10 -65.42 -50.18 66.4 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.615 0.721 . . . . 15.0 109.757 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.6 mt -60.4 -33.13 72.04 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.364 -1.289 . . . . 15.0 108.762 171.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.084 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m-30 -80.33 -24.97 39.54 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 107.018 -1.475 . . . . 15.0 107.018 -168.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' PHE . 19.3 t70 -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.026 170.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 18' ' ' ARG . 6.3 ttm-85 -60.37 -25.23 65.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.815 -1.539 . . . . 15.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.0 3.62 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm 42.72 81.63 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.799 -1.546 . . . . 15.0 111.838 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.877 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -88.65 165.53 14.72 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.923 -1.035 . . . . 15.0 110.563 -177.011 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.44 89.97 6.05 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.673 -1.603 . . . . 15.0 106.673 165.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.983 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.22 -33.7 75.08 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.134 -1.848 . . . . 15.0 110.55 -173.127 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -87.34 14.0 8.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.549 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -104.29 -115.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 15.0 110.819 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -109.41 155.43 21.27 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 108.717 -0.846 . . . . 15.0 108.717 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -68.51 -51.14 46.38 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 113.732 -1.576 . . . . 15.0 109.232 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.913 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.279 4.6 p -81.47 -27.82 34.41 Favored 'General case' 0 N--CA 1.418 -2.061 0 N-CA-C 117.203 2.298 . . . . 15.0 117.203 -172.208 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.0 tp -50.65 -29.24 10.6 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.388 -1.708 . . . . 15.0 106.388 173.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.877 ' HB3' HD12 ' A' ' 21' ' ' LEU . 10.0 mm-40 -81.6 -50.45 9.33 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 112.705 -2.043 . . . . 15.0 110.455 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.913 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 10.1 p -80.18 -39.19 29.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.564 2.431 . . . . 15.0 117.564 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -67.43 -9.58 43.16 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.687 -1.227 . . . . 15.0 107.687 171.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -95.83 -55.14 3.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.825 -1.534 . . . . 15.0 110.707 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.741 HD13 ' HE1' ' A' ' 16' ' ' PHE . 7.7 pt -74.66 -1.1 2.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-O 121.376 0.607 . . . . 15.0 109.822 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.833 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 7.7 tt0 -42.23 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.168 -1.378 . . . . 15.0 113.444 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.36 8.35 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.495 -0.775 . . . . 15.0 113.035 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.646 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 70.4 m-20 -84.36 129.35 58.19 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.548 -0.908 . . . . 15.0 108.548 172.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.92 -15.76 10.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.849 2.366 . . . . 15.0 112.892 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.034 ' HB3' HD13 ' A' ' 15' ' ' LEU . 44.3 m-20 -74.38 -28.98 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.613 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.833 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -57.95 -35.72 71.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.893 0.854 . . . . 15.0 108.786 171.145 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -85.56 8.78 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.769 -1.105 . . . . 15.0 111.935 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 42.6 mmtm -61.34 -38.91 88.63 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 171.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.706 HG12 ' CE1' ' A' ' 12' ' ' PHE . 40.0 mm -107.45 134.13 50.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.82 . . . . 15.0 109.752 176.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -66.69 -33.92 76.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.37 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 43' ' ' ILE . 17.9 t70 -100.91 135.59 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.273 -175.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.6 t70 -84.79 -28.31 26.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.639 -176.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.452 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -77.55 1.74 18.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.102 0.477 . . . . 15.0 111.267 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.531 ' O ' HD13 ' A' ' 52' ' ' LEU . 99.1 t -98.85 -31.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.91 ' HA ' HD22 ' A' ' 52' ' ' LEU . 86.7 mtt180 -58.15 -48.94 78.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.777 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -23.93 40.1 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.475 -1.29 . . . . 15.0 112.404 -178.337 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.6 m -59.7 -12.93 7.97 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.167 -0.613 . . . . 15.0 110.326 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.01 -51.22 9.32 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-O 126.189 2.899 . . . . 15.0 113.941 -171.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.514 ' O ' ' HD2' ' A' ' 23' ' ' LYS 0.539 0.1 OUTLIER -48.51 -45.08 36.67 Favored 'General case' 2 C--N 1.201 -5.864 1 CA-C-N 106.212 -4.995 . . . . 15.0 111.858 175.465 . . . . . . . . 6 4 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -61.98 -50.11 73.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 15.0 110.174 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 31.6 mt-10 -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.036 -177.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.146 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 44.4 t90 -63.68 -27.76 69.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.116 0.96 . . . . 15.0 111.499 178.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 50.2 t -71.69 -50.39 30.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.481 -1.236 . . . . 15.0 110.868 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.36 36.11 3.97 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 109.855 -1.298 . . . . 15.0 109.855 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 56' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.092 -1.054 . . . . 15.0 109.261 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.47 -2.1 0 CA-C-O 126.228 2.918 . . . . 15.0 112.135 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.05 -28.83 39.19 Favored 'General case' 1 C--N 1.194 -6.18 1 CA-C-N 105.274 -5.421 . . . . 15.0 110.089 -179.83 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.71 ' HA ' HD22 ' A' ' 52' ' ' LEU . 20.3 ptt180 -56.04 -50.49 70.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.164 -0.925 . . . . 15.0 111.933 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.886 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 50.1 m-80 -64.23 -10.03 20.91 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.858 -174.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.822 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -70.22 -46.81 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 171.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.748 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -71.11 -50.99 27.73 Favored 'General case' 0 C--O 1.172 -2.984 0 CA-C-O 117.123 -1.418 . . . . 15.0 112.558 -172.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.433 0.3 OUTLIER -39.32 -45.0 1.37 Allowed 'General case' 0 N--CA 1.512 2.671 0 C-N-CA 125.705 1.602 . . . . 15.0 110.935 164.533 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -67.11 -46.72 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.361 -0.978 . . . . 15.0 108.361 -178.369 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.5 mt -62.8 -31.33 72.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 15.0 108.928 170.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.043 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.8 m-30 -76.59 -31.56 57.55 Favored 'General case' 0 N--CA 1.395 -3.209 0 N-CA-C 108.835 -0.802 . . . . 15.0 108.835 -169.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.46 -44.1 19.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.703 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.29 -29.13 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.205 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -108.06 0.11 21.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.086 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 36.3 tptt 54.22 91.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.953 0.883 . . . . 15.0 111.899 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 30' ' ' GLN . 20.0 mt -100.52 -170.76 1.91 Allowed 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.804 -0.634 . . . . 15.0 109.521 171.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.983 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 44.4 m-20 -130.61 96.59 4.15 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.943 -1.026 . . . . 15.0 108.308 166.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.96 -4.56 13.48 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.468 -1.697 . . . . 15.0 112.206 -164.212 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.743 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 41.0 p90 -132.93 7.9 4.05 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.5 t -96.77 -72.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.428 0.633 . . . . 15.0 109.477 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.32 165.24 18.71 Favored 'General case' 0 CA--C 1.456 -2.668 0 N-CA-C 106.63 -1.619 . . . . 15.0 106.63 169.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.131 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.5 t-105 -79.16 -52.12 8.6 Favored 'General case' 0 C--N 1.265 -3.069 0 C-N-CA 117.692 -1.603 . . . . 15.0 109.561 168.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 1.087 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.415 3.1 p -82.29 -24.86 34.47 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 120.249 3.426 . . . . 15.0 120.249 -175.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.7 tp -52.43 -29.23 23.37 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 122.486 2.403 . . . . 15.0 106.436 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.983 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.4 mp0 -81.87 -50.02 9.68 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 112.307 -2.224 . . . . 15.0 110.855 176.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.794 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 14.2 p -77.32 -29.3 53.51 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.895 1.813 . . . . 15.0 115.895 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 1.087 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 9.8 mmpt? -58.94 -9.92 2.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 122.067 0.936 . . . . 15.0 108.529 169.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 54.8 mttm -92.56 -59.14 2.15 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.799 -1.546 . . . . 15.0 108.24 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.686 HD13 ' HE1' ' A' ' 16' ' ' PHE . 2.6 pt -75.47 -9.66 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.206 -1.361 . . . . 15.0 112.34 -169.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.6 pt-20 -66.1 -31.33 72.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.535 0.568 . . . . 15.0 112.535 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -87.88 13.7 10.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.527 0.68 . . . . 15.0 109.935 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -119.63 153.14 54.14 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 114.816 -1.084 . . . . 15.0 108.512 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.45 -6.45 10.29 Favored 'Trans proline' 0 CA--C 1.527 0.166 0 C-N-CA 122.452 2.102 . . . . 15.0 111.335 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.008 ' HB3' HD13 ' A' ' 15' ' ' LEU . 31.3 m-20 -80.01 -30.19 39.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.198 -0.91 . . . . 15.0 112.503 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -33.47 75.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 170.141 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -81.21 6.19 14.73 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.721 -1.127 . . . . 15.0 111.832 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.748 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 72.6 mmtt -63.69 -41.23 98.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.685 HD12 HD11 ' A' ' 52' ' ' LEU . 56.8 mt -108.23 123.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.357 -0.838 . . . . 15.0 108.976 173.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 44' ' ' ARG . 9.0 ptp85 -64.01 -28.81 70.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 15.0 112.268 -174.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -102.45 138.29 39.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.385 0.612 . . . . 15.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 14.8 t70 -83.31 -19.22 36.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.773 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -66.01 -21.62 66.41 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.738 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.743 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 30.6 t -95.8 -30.98 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.593 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 85.3 mtt180 -53.26 -48.09 68.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.131 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.54 -28.37 37.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 118.734 -1.186 . . . . 15.0 112.679 -177.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 m -61.43 -9.96 6.6 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.433 0.635 . . . . 15.0 110.671 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 26.8 mt -74.5 -50.05 19.75 Favored 'General case' 0 CA--C 1.463 -2.379 0 CA-C-O 125.76 2.695 . . . . 15.0 113.642 -175.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.709 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.54 0.0 OUTLIER -78.36 -28.97 47.2 Favored 'General case' 2 C--N 1.199 -5.944 1 CA-C-N 107.241 -4.527 . . . . 15.0 110.16 -161.519 . . . . . . . . 6 4 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.1 mt-10 -62.84 -42.2 99.64 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.267 -1.788 . . . . 15.0 109.706 170.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 68.9 mm-40 -65.33 -50.22 66.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.462 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.5 t90 -71.08 -15.87 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.26 1.029 . . . . 15.0 111.376 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.3 t -63.92 -50.37 68.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.248 -1.342 . . . . 15.0 109.591 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.49 29.7 11.95 Favored Glycine 0 CA--C 1.506 -0.523 0 N-CA-C 110.144 -1.182 . . . . 15.0 110.144 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.01 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.938 0 CA-C-N 114.299 -0.95 . . . . 15.0 109.717 -174.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.466 -2.269 0 CA-C-O 126.856 3.217 . . . . 15.0 110.578 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -67.19 -24.92 65.91 Favored 'General case' 1 C--N 1.201 -5.888 1 CA-C-N 104.035 -5.984 . . . . 15.0 110.59 179.326 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.665 ' HD2' ' OE1' ' A' ' 55' ' ' GLU . 15.0 ptt180 -57.86 -50.24 73.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.596 . . . . 15.0 110.853 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.909 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.6 m-80 -64.88 -15.53 62.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.553 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.887 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -63.83 -44.89 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 172.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.5 m-85 -73.6 -51.09 18.05 Favored 'General case' 0 C--O 1.178 -2.68 0 CA-C-O 117.033 -1.461 . . . . 15.0 112.096 -173.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.139 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.62 -43.34 1.32 Allowed 'General case' 0 N--CA 1.508 2.472 0 C-N-CA 124.989 1.315 . . . . 15.0 110.44 162.231 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.0 tm-20 -65.95 -50.2 65.21 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.071 HD13 ' HB2' ' A' ' 39' ' ' ASP . 9.0 mt -58.35 -33.12 69.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 170.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.079 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.8 m-30 -80.07 -25.46 40.05 Favored 'General case' 0 N--CA 1.386 -3.63 0 N-CA-C 107.664 -1.236 . . . . 15.0 107.664 -168.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' PHE . 24.0 t70 -80.61 -45.42 17.33 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.281 169.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 18' ' ' ARG . 17.0 ttm180 -53.24 -30.85 40.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.645 -1.161 . . . . 15.0 111.005 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -103.98 -5.77 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.299 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 52.31 78.96 0.12 Allowed 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 123.908 0.755 . . . . 15.0 110.905 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.984 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -84.5 166.3 17.36 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.962 0.887 . . . . 15.0 110.371 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.613 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 41.6 m-20 -97.13 85.37 3.7 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.645 -1.613 . . . . 15.0 106.645 168.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.985 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.81 -31.14 72.07 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 112.71 -2.041 . . . . 15.0 111.794 -167.459 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -102.74 5.96 39.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -89.21 -82.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.736 -0.386 . . . . 15.0 110.842 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -136.42 153.57 51.04 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.712 0.768 . . . . 15.0 108.946 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.14 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -67.08 -51.58 52.64 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 113.626 -1.625 . . . . 15.0 109.028 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.842 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.313 4.8 p -81.44 -22.54 38.1 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 117.58 2.437 . . . . 15.0 117.58 -175.085 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 48.7 tp -53.25 -29.01 30.45 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 105.809 -1.922 . . . . 15.0 105.809 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.984 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.1 mm-40 -81.94 -50.71 8.84 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.601 -2.09 . . . . 15.0 112.162 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.842 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 4.9 p -79.51 -30.37 41.87 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.622 1.712 . . . . 15.0 115.622 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -67.93 -10.01 49.8 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.282 -1.377 . . . . 15.0 107.282 171.241 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 30.2 ttpt -104.4 -55.76 2.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 113.302 -1.772 . . . . 15.0 110.867 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.802 HD13 ' HE1' ' A' ' 16' ' ' PHE . 6.9 pt -75.83 -2.79 4.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-O 121.288 0.566 . . . . 15.0 110.203 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.768 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.2 tm-20 -38.18 -77.32 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.51 -1.223 . . . . 15.0 113.87 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -80.75 16.28 1.47 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.983 -0.553 . . . . 15.0 112.248 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.8 m-20 -85.05 140.47 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 173.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.56 -20.03 67.1 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.705 2.27 . . . . 15.0 112.311 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.071 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -80.06 -28.28 39.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.843 -0.617 . . . . 15.0 112.473 -177.679 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.81 -30.89 67.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 171.052 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.42 4.19 32.65 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.068 -0.969 . . . . 15.0 112.041 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.954 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 3.6 mptp? -62.06 -31.57 72.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.36 0.6 . . . . 15.0 109.513 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 52' ' ' LEU . 28.0 mt -113.67 128.25 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.064 173.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.33 -32.11 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.633 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.7 p30 -92.68 155.37 17.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.496 0.665 . . . . 15.0 110.695 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 37.5 t70 -115.74 36.34 4.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.186 -1.37 . . . . 15.0 108.317 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -123.19 -16.43 6.94 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.014 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.713 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 37.5 t -98.77 -25.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.876 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.2 mtt180 -57.3 -50.34 73.24 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.394 0.616 . . . . 15.0 111.704 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.14 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.87 -9.97 59.77 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 113.559 0.948 . . . . 15.0 113.559 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -74.36 -9.67 58.83 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 119.692 -0.803 . . . . 15.0 110.155 164.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 43' ' ' ILE . 63.9 mt -75.39 -49.4 19.11 Favored 'General case' 0 CA--C 1.458 -2.558 0 CA-C-O 125.678 2.656 . . . . 15.0 114.121 -173.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.698 ' HD2' ' O ' ' A' ' 50' ' ' GLU 0.517 0.0 OUTLIER -76.13 -33.29 59.43 Favored 'General case' 2 C--N 1.199 -5.972 1 CA-C-N 108.035 -4.166 . . . . 15.0 110.005 -165.042 . . . . . . . . 6 4 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.51 -46.5 80.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.151 -1.386 . . . . 15.0 109.715 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.665 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 53.5 mt-10 -69.56 -50.2 47.05 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.564 -0.744 . . . . 15.0 111.544 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.139 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 50.6 t90 -66.44 -21.58 66.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.923 0.868 . . . . 15.0 111.288 -178.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 41.2 t -65.59 -50.12 66.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.219 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.21 33.11 6.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 109.968 -1.253 . . . . 15.0 109.968 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.817 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.179 -172.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t0 . . . . . 0 CA--C 1.466 -2.256 0 CA-C-O 126.954 3.264 . . . . 15.0 109.136 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 11' ' ' ILE . 56.8 mt-10 -71.73 -32.28 67.59 Favored 'General case' 1 C--N 1.202 -5.81 1 CA-C-N 103.656 -6.156 . . . . 15.0 111.033 -179.116 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.769 ' HA ' HD22 ' A' ' 52' ' ' LEU . 36.7 ptt85 -56.57 -50.57 71.53 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.113 -0.949 . . . . 15.0 110.177 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.918 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 44.2 m-80 -69.59 -17.47 63.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 110.038 -0.356 . . . . 15.0 110.038 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.834 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.3 mt -61.89 -49.76 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 171.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 5.4 m-85 -69.78 -51.36 34.64 Favored 'General case' 0 C--O 1.174 -2.869 0 CA-C-O 116.942 -1.504 . . . . 15.0 112.061 -173.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.112 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.357 0.3 OUTLIER -39.84 -45.09 1.74 Allowed 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 120.235 1.38 . . . . 15.0 110.589 164.35 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 8.6 tp10 -63.43 -50.29 70.37 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.934 0.874 . . . . 15.0 109.325 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -62.3 -31.5 72.11 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.941 -1.481 . . . . 15.0 108.75 173.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.063 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.4 m-30 -79.71 -25.0 41.3 Favored 'General case' 0 N--CA 1.39 -3.429 0 N-CA-C 106.904 -1.517 . . . . 15.0 106.904 -170.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 35.9 t70 -80.53 -44.41 19.14 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.012 172.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -52.78 -31.89 40.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.511 -1.222 . . . . 15.0 111.133 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 12.0 m-30 -104.16 -3.06 24.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 49.17 82.75 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.538 -1.21 . . . . 15.0 109.891 -176.115 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -84.09 163.89 19.56 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 114.208 -1.36 . . . . 15.0 110.295 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.651 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 24.0 m-20 -93.94 86.47 5.06 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.749 -1.574 . . . . 15.0 106.749 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.949 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -61.55 -31.63 71.67 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 112.772 -2.013 . . . . 15.0 111.894 -169.415 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.486 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 49.0 p90 -109.7 11.5 24.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.445 0.535 . . . . 15.0 112.445 -175.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.8 t -83.24 -75.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.12 0.486 . . . . 15.0 110.331 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -146.97 153.96 40.69 Favored 'General case' 0 CA--C 1.466 -2.285 0 N-CA-C 107.882 -1.155 . . . . 15.0 107.882 174.593 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.4 t-105 -66.73 -51.81 51.64 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 113.603 -1.635 . . . . 15.0 109.445 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.873 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.267 3.9 p -81.42 -23.31 37.64 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 117.132 2.271 . . . . 15.0 117.132 -175.182 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.648 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 1.4 tm? -48.02 -34.51 9.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.402 -2.073 . . . . 15.0 105.402 172.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.964 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.76 -50.8 8.84 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.505 -2.134 . . . . 15.0 111.191 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.873 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 37.0 p -79.77 -32.24 40.93 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 116.941 2.2 . . . . 15.0 116.941 -170.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -65.61 -9.71 29.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.176 -1.416 . . . . 15.0 107.176 170.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 33.0 ttpt -106.17 -49.45 3.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.636 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.841 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.4 pt -70.33 -11.54 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.7 0.286 . . . . 15.0 111.528 -175.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 4.4 pt-20 -62.2 -24.21 67.08 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.493 -0.322 . . . . 15.0 111.824 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -80.08 -17.68 52.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.672 0.748 . . . . 15.0 110.066 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.49 164.57 19.57 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.605 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 22.1 Cg_exo -65.91 -6.19 13.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.264 1.976 . . . . 15.0 110.661 168.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.3 t0 -62.12 -50.65 71.05 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 115.081 -0.963 . . . . 15.0 110.71 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.681 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.24 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.235 0.541 . . . . 15.0 110.969 -178.52 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -82.63 5.01 22.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.566 -0.743 . . . . 15.0 112.415 -171.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 75.1 mmtt -73.68 -34.95 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.415 . . . . 15.0 110.303 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 8' ' ' GLU . 41.7 mt -125.49 124.92 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -69.46 -31.98 70.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 15.0 111.331 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.21 104.59 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.519 0.676 . . . . 15.0 111.175 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.4 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 30.7 t70 -66.44 -27.65 67.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.708 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -67.65 -5.44 15.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.479 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.7 t -105.49 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.715 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -54.4 -48.5 71.51 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.458 -0.792 . . . . 15.0 111.931 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.55 -22.96 40.3 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.706 -1.198 . . . . 15.0 113.349 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.7 m -63.8 -9.81 16.72 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.675 -0.81 . . . . 15.0 110.655 168.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD22 ' HA ' ' A' ' 9' ' ' ARG . 31.9 mt -75.88 -50.48 14.94 Favored 'General case' 0 CA--C 1.46 -2.507 0 CA-C-O 125.936 2.779 . . . . 15.0 114.167 -174.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 27' ' ' TRP 0.544 0.0 OUTLIER -71.74 -32.4 67.69 Favored 'General case' 2 C--N 1.197 -6.033 1 CA-C-N 107.217 -4.538 . . . . 15.0 110.038 -165.828 . . . . . . . . 6 4 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.5 mt-10 -57.6 -48.2 80.05 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.881 -1.509 . . . . 15.0 109.834 173.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.656 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 50.2 mt-10 -67.17 -50.35 61.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 15.0 111.204 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.112 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 51.9 t90 -65.98 -21.19 66.4 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.295 1.045 . . . . 15.0 111.334 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 48.3 t -63.75 -50.24 69.85 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.03 -1.441 . . . . 15.0 109.604 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.49 41.5 2.2 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.932 -1.267 . . . . 15.0 109.932 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.9 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.861 -0.669 . . . . 15.0 109.931 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 124.895 2.283 . . . . 15.0 114.09 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.61 -28.59 51.55 Favored 'General case' 1 C--N 1.208 -5.552 1 CA-C-N 107.968 -4.196 . . . . 15.0 108.258 174.358 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.722 ' HA ' HD22 ' A' ' 52' ' ' LEU . 12.8 ptm180 -61.55 -50.6 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.072 -1.422 . . . . 15.0 110.95 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.931 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 18.9 m120 -69.7 -10.05 56.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.931 -175.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.881 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.5 mt -66.6 -49.69 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.703 -0.681 . . . . 15.0 109.322 169.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.3 m-85 -72.26 -51.3 21.56 Favored 'General case' 0 C--O 1.179 -2.646 0 CA-C-O 117.164 -1.398 . . . . 15.0 112.345 -171.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.12 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.339 0.2 OUTLIER -39.72 -43.71 1.43 Allowed 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 125.042 1.337 . . . . 15.0 110.666 163.514 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -68.19 -46.19 71.32 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.044 -0.725 . . . . 15.0 109.044 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.121 HD13 ' HB2' ' A' ' 39' ' ' ASP . 8.4 mt -61.62 -32.11 72.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.383 -0.969 . . . . 15.0 108.383 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.069 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.0 m-30 -79.88 -25.93 40.47 Favored 'General case' 0 N--CA 1.39 -3.437 0 N-CA-C 107.52 -1.289 . . . . 15.0 107.52 -169.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.8 t70 -80.34 -48.95 12.19 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.644 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 12.4 ttm180 -58.15 -25.69 61.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.464 -1.244 . . . . 15.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -100.47 -5.91 26.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.874 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' NZ ' ' HB3' ' A' ' 20' ' ' LYS . 9.0 mtpm? 54.23 70.35 0.62 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.091 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.952 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -80.14 165.18 22.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.888 0.851 . . . . 15.0 110.25 -179.115 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.592 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 13.4 m-20 -98.13 90.38 4.85 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 169.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.965 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -65.55 -31.87 73.16 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 113.168 -1.833 . . . . 15.0 111.921 -168.121 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 34.0 p90 -107.89 17.04 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 15.0 111.816 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.535 ' OG ' ' HB3' ' A' ' 22' ' ' ASP . 36.3 m -96.4 -79.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.96 0.41 . . . . 15.0 111.008 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -129.93 161.61 30.49 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-O 122.08 0.943 . . . . 15.0 108.516 174.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.5 t-105 -77.28 -51.64 10.55 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 113.666 -1.607 . . . . 15.0 109.162 167.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.912 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.357 13.2 p -81.72 -35.49 29.69 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 119.689 3.218 . . . . 15.0 119.689 -170.44 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.4 mm? -51.28 -26.11 6.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 120.591 1.541 . . . . 15.0 107.03 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.952 ' HB3' HD12 ' A' ' 21' ' ' LEU . 16.0 mp0 -81.9 -50.08 9.59 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 112.524 -2.125 . . . . 15.0 111.496 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.912 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 2.1 p -75.59 -49.82 17.41 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 116.614 2.079 . . . . 15.0 116.614 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -62.41 -9.49 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.088 -1.078 . . . . 15.0 108.088 171.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -83.52 -54.28 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.112 -1.404 . . . . 15.0 109.309 174.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.827 HD13 ' HE1' ' A' ' 16' ' ' PHE . 10.0 pt -85.27 -10.92 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.704 -0.68 . . . . 15.0 112.716 -171.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.685 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 6.1 pt-20 -61.73 -27.36 68.66 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.822 -0.549 . . . . 15.0 112.463 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.91 14.03 13.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.357 0.599 . . . . 15.0 109.918 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 6.5 m-20 -118.98 157.49 50.38 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.445 -0.798 . . . . 15.0 110.117 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.52 -1.46 9.79 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.296 1.997 . . . . 15.0 112.058 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.121 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.1 p-10 -80.17 -48.34 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.11 -0.496 . . . . 15.0 110.813 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -55.79 -33.68 64.6 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.329 0.585 . . . . 15.0 110.158 175.269 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -74.13 -1.42 20.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.326 -0.852 . . . . 15.0 112.425 -176.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.657 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 37.5 mmtm -70.02 -24.0 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 15.0 110.796 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 52' ' ' LEU . 38.3 mt -124.15 130.64 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.071 -0.715 . . . . 15.0 109.071 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.07 -57.91 9.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.654 0.74 . . . . 15.0 110.388 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.8 139.3 43.18 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.335 -1.302 . . . . 15.0 111.682 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.5 t70 -90.21 -17.24 27.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.876 -1.056 . . . . 15.0 110.214 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -64.93 -20.6 66.55 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.906 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.9 t -100.79 -20.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.491 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.764 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 94.9 mtt180 -61.83 -49.68 75.33 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.96 0.41 . . . . 15.0 111.317 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.67 -13.56 58.91 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.466 -0.771 . . . . 15.0 112.775 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -70.7 -9.75 57.88 Favored 'General case' 0 C--N 1.285 -2.212 0 C-N-CA 120.118 -0.633 . . . . 15.0 110.478 164.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.764 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.0 mt -77.28 -50.33 13.09 Favored 'General case' 0 CA--C 1.459 -2.555 0 CA-C-O 125.931 2.777 . . . . 15.0 114.041 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.603 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.543 0.0 OUTLIER -70.62 -34.8 72.5 Favored 'General case' 2 C--N 1.202 -5.839 1 CA-C-N 106.871 -4.695 . . . . 15.0 110.09 -166.872 . . . . . . . . 6 4 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.1 mt-10 -55.5 -48.52 74.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.229 -1.35 . . . . 15.0 109.599 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 12.9 mm-40 -69.97 -50.42 41.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.938 -1.028 . . . . 15.0 111.994 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.12 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 39.2 t90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.102 0.953 . . . . 15.0 111.145 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.1 t -59.73 -50.15 74.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.823 -1.535 . . . . 15.0 109.794 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.49 38.85 3.0 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.697 -1.361 . . . . 15.0 109.697 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.968 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 6.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.697 -0.752 . . . . 15.0 110.309 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 CA--C 1.469 -2.148 0 CA-C-O 126.562 3.077 . . . . 15.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.96 -35.06 38.16 Favored 'General case' 1 C--N 1.197 -6.06 1 CA-C-N 104.552 -5.749 . . . . 15.0 110.26 -176.743 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.679 ' HA ' HD22 ' A' ' 52' ' ' LEU . 8.0 ptm180 -56.01 -50.6 70.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.905 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.954 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 35.1 m-80 -65.98 -15.62 63.17 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.611 -173.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.872 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.3 mt -63.59 -50.1 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 109.284 -0.636 . . . . 15.0 109.284 171.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.76 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -70.03 -50.82 37.47 Favored 'General case' 0 C--O 1.176 -2.795 0 CA-C-O 117.213 -1.375 . . . . 15.0 112.644 -170.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.41 0.4 OUTLIER -39.64 -47.85 2.04 Favored 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 125.542 1.537 . . . . 15.0 110.736 165.369 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.48 -43.72 89.35 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.558 -0.534 . . . . 15.0 109.558 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.2 mt -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.538 -0.912 . . . . 15.0 108.538 171.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.023 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.9 m-30 -75.21 -33.82 61.42 Favored 'General case' 0 N--CA 1.399 -3.023 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.137 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.44 -39.1 28.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.775 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 18' ' ' ARG . 32.5 ttt180 -62.65 -27.34 69.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.574 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.86 11.88 29.54 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.356 -0.979 . . . . 15.0 108.356 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 pttt 29.05 83.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 113.845 -1.525 . . . . 15.0 113.473 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.935 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.2 mt -83.99 -170.89 3.31 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.94 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 1.024 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 11.5 m-20 -124.98 93.31 3.85 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.029 -0.987 . . . . 15.0 108.406 165.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.905 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.57 -16.55 61.15 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 113.486 -1.688 . . . . 15.0 110.363 -170.323 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.79 -46.38 6.6 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.997 -1.001 . . . . 15.0 111.673 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.2 t -60.23 -79.78 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.957 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.34 165.67 14.0 Favored 'General case' 0 CA--C 1.459 -2.549 0 N-CA-C 107.643 -1.243 . . . . 15.0 107.643 175.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.2 t-105 -79.69 -52.02 8.48 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 113.7 -1.591 . . . . 15.0 109.682 167.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.844 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 9.0 p -81.89 -32.92 30.74 Favored 'General case' 0 N--CA 1.418 -2.025 0 N-CA-C 119.422 3.119 . . . . 15.0 119.422 -172.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 12.8 tp -49.7 -29.75 8.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.446 -1.687 . . . . 15.0 106.446 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 1.024 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.8 mp0 -81.96 -49.99 9.65 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.418 -2.174 . . . . 15.0 110.399 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.844 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 62.8 p -80.07 -48.24 13.58 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 117.048 2.24 . . . . 15.0 117.048 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 28' ' ' SER . 6.0 ptpp? -60.96 -9.58 4.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.891 0.769 . . . . 15.0 109.834 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -98.37 -29.39 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.123 178.135 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 30' ' ' GLN . 1.6 pt -85.82 -6.42 10.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 N-CA-C 108.967 -0.753 . . . . 15.0 108.967 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.987 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.5 tm-20 -45.28 -79.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.014 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -48.43 -25.07 1.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.114 -0.948 . . . . 15.0 113.018 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 68.5 m-20 -69.48 139.82 89.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.776 -0.453 . . . . 15.0 109.776 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 -8.67 8.12 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.629 2.219 . . . . 15.0 112.123 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.007 ' HB3' HD13 ' A' ' 15' ' ' LEU . 29.6 m-20 -76.06 -32.39 59.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.516 -0.765 . . . . 15.0 111.534 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.987 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -65.76 -32.95 74.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 172.667 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -89.34 17.36 6.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.313 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.76 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.0 mmtt -73.04 -28.03 62.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 173.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 52' ' ' LEU . 54.0 mt -117.29 136.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.36 -0.837 . . . . 15.0 109.722 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.36 -51.95 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 15.0 111.65 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.9 p-10 -88.58 150.5 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.665 0.745 . . . . 15.0 111.422 -174.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.608 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 27.0 t70 -107.34 27.1 9.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.546 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -114.65 -16.42 11.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.007 0.908 . . . . 15.0 110.481 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.8 t -95.04 -30.21 4.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.705 -1.134 . . . . 15.0 109.837 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.7 mtt180 -54.74 -47.78 73.4 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.913 -0.585 . . . . 15.0 112.146 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.42 -25.49 38.97 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.438 -0.905 . . . . 15.0 112.35 -177.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 16.0 m -64.7 -9.77 22.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.422 0.629 . . . . 15.0 110.178 169.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 17.4 mt -74.46 -50.26 19.04 Favored 'General case' 0 CA--C 1.459 -2.532 0 CA-C-O 125.698 2.666 . . . . 15.0 113.798 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.541 0.0 OUTLIER -77.54 -30.69 52.87 Favored 'General case' 2 C--N 1.199 -5.963 1 CA-C-N 107.313 -4.494 . . . . 15.0 110.41 -163.005 . . . . . . . . 6 4 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.3 mt-10 -63.89 -40.64 96.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.723 -1.581 . . . . 15.0 109.808 169.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.628 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 12.8 mm-40 -67.66 -49.96 60.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.371 -0.832 . . . . 15.0 110.982 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 26.2 t90 -68.96 -16.62 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.355 1.074 . . . . 15.0 111.354 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 52.4 t -62.53 -50.03 72.97 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.679 -1.6 . . . . 15.0 109.036 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.81 41.32 2.26 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.066 -1.213 . . . . 15.0 110.066 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.045 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.591 -0.805 . . . . 15.0 110.323 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 CA--C 1.477 -1.859 0 CA-C-O 125.682 2.658 . . . . 15.0 113.654 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -71.05 -24.13 62.28 Favored 'General case' 1 C--N 1.198 -6.0 1 CA-C-N 106.298 -4.955 . . . . 15.0 109.395 176.741 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 52' ' ' LEU . 31.5 ptt85 -61.29 -50.3 73.56 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.884 -1.053 . . . . 15.0 111.43 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.967 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 46.6 m-80 -66.81 -10.4 47.33 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.898 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.835 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -65.98 -45.97 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 170.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.0 m-85 -75.06 -50.77 15.36 Favored 'General case' 0 C--O 1.174 -2.919 0 CA-C-O 117.229 -1.367 . . . . 15.0 113.055 -171.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.115 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.356 0.1 OUTLIER -39.76 -44.61 1.6 Allowed 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 124.772 1.229 . . . . 15.0 110.204 163.151 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -64.68 -48.17 75.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.453 -0.573 . . . . 15.0 109.453 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.035 HD13 ' HB2' ' A' ' 39' ' ' ASP . 7.5 mt -61.73 -32.57 72.81 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.687 -0.857 . . . . 15.0 108.687 171.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.066 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.8 m-30 -77.73 -26.07 49.74 Favored 'General case' 0 N--CA 1.393 -3.281 0 N-CA-C 108.408 -0.96 . . . . 15.0 108.408 -167.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.42 -44.57 19.1 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.12 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.06 -30.63 62.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.131 -0.94 . . . . 15.0 110.494 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.541 ' HD2' HG22 ' A' ' 34' ' ' ILE . 13.1 m-30 -101.29 3.05 40.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.84 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 50.69 59.93 4.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.756 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' A' ' 30' ' ' GLN . 56.7 mt -81.28 146.68 30.29 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 122.734 1.254 . . . . 15.0 111.252 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.3 m-20 -77.31 91.04 3.78 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 112.386 -2.188 . . . . 15.0 106.355 169.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.999 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -66.14 -23.92 66.57 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.241 -171.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -99.79 -12.0 20.31 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.739 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -83.45 -84.05 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 15.0 111.799 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -124.99 163.96 21.18 Favored 'General case' 0 CA--C 1.466 -2.286 0 CA-C-O 122.21 1.005 . . . . 15.0 109.074 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.104 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.2 t-105 -78.51 -52.28 8.74 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 113.516 -1.674 . . . . 15.0 109.792 168.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.874 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.337 6.1 p -81.67 -34.58 30.65 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 118.937 2.939 . . . . 15.0 118.937 -171.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -49.86 -28.44 6.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.28 -1.748 . . . . 15.0 106.28 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 1.004 ' HB3' HD13 ' A' ' 21' ' ' LEU . 12.9 mp0 -81.86 -50.21 9.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 112.771 -2.013 . . . . 15.0 110.213 173.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.874 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 29.2 p -80.26 -34.76 36.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.469 2.396 . . . . 15.0 117.469 -176.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.3 ptmm? -67.39 -9.55 42.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.433 -1.321 . . . . 15.0 107.433 170.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 24.3 ttmm -95.7 -49.08 5.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.501 -1.681 . . . . 15.0 110.158 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 30' ' ' GLN . 2.7 pt -81.97 -5.83 9.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 121.262 0.553 . . . . 15.0 110.625 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 27.5 tt0 -44.67 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.181 1.178 . . . . 15.0 114.181 -174.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.53 -14.17 4.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.77 -1.105 . . . . 15.0 113.185 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.95 158.89 85.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 15.0 111.064 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.66 -8.91 23.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.813 2.342 . . . . 15.0 112.611 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.035 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.3 p-10 -79.96 -42.53 23.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.658 -0.246 . . . . 15.0 110.504 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.843 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -49.08 -40.07 30.34 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.494 0.664 . . . . 15.0 110.47 174.407 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -84.31 18.2 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.677 . . . . 15.0 112.41 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 67.7 mmtt -81.86 -30.1 32.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 15.0 111.398 177.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.853 HG12 ' CE1' ' A' ' 12' ' ' PHE . 28.9 mm -97.84 137.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.821 -0.352 . . . . 15.0 110.504 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.658 ' HD3' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -60.28 -22.71 63.45 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.855 -0.611 . . . . 15.0 112.011 -177.418 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.78 ' H ' HG22 ' A' ' 43' ' ' ILE . 27.9 m-20 -127.03 134.94 50.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.671 0.272 . . . . 15.0 110.99 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 32.1 t70 -68.72 -26.63 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.977 -0.749 . . . . 15.0 108.977 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -67.66 -9.27 41.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.008 -0.996 . . . . 15.0 111.518 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' HG21 ' A' ' 43' ' ' ILE . 53.5 t -106.59 -23.48 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.791 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.7 mtt180 -58.88 -50.15 75.09 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.002 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.104 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -22.39 41.36 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 119.035 -1.066 . . . . 15.0 112.122 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.4 m -60.55 -15.79 31.1 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.011 -0.676 . . . . 15.0 110.336 165.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.791 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.26 -51.44 8.92 Favored 'General case' 0 CA--C 1.461 -2.451 0 CA-C-O 125.492 2.568 . . . . 15.0 113.746 -171.535 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' HD1' ' HG2' ' A' ' 54' ' ' GLU 0.519 0.1 OUTLIER -40.29 -44.84 1.99 Allowed 'General case' 2 C--N 1.209 -5.535 1 CA-C-N 106.793 -4.73 . . . . 15.0 112.079 171.535 . . . . . . . . 6 4 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.575 ' HG2' ' HD1' ' A' ' 53' ' ' PHE . 2.9 mt-10 -62.93 -49.86 73.09 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.514 -0.767 . . . . 15.0 110.588 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB3' HH11 ' A' ' 9' ' ' ARG . 5.7 mm-40 -60.76 -50.37 73.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.123 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.115 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 37.7 t90 -63.29 -30.43 71.57 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.579 1.18 . . . . 15.0 111.3 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 46.5 t -60.25 -49.1 78.96 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.098 -1.865 . . . . 15.0 109.415 -177.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.76 36.95 3.96 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.327 -1.109 . . . . 15.0 110.327 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.771 -0.714 . . . . 15.0 109.933 -173.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.58 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.0 t70 . . . . . 0 CA--C 1.462 -2.428 0 CA-C-O 126.666 3.127 . . . . 15.0 110.477 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.95 -40.33 96.19 Favored 'General case' 1 C--N 1.196 -6.093 1 CA-C-N 103.732 -6.122 . . . . 15.0 110.578 -178.772 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HD3' ' OE1' ' A' ' 55' ' ' GLU . 11.4 ptp180 -66.37 -47.85 72.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.061 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.948 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 7.9 m120 -66.69 -17.41 64.84 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 123.448 0.699 . . . . 15.0 109.622 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.889 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 40.3 mm -61.92 -44.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.924 169.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.4 m-85 -72.52 -51.11 21.35 Favored 'General case' 0 C--O 1.175 -2.862 0 CA-C-O 117.028 -1.463 . . . . 15.0 111.976 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.105 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.39 0.2 OUTLIER -39.55 -43.64 1.32 Allowed 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 125.193 1.397 . . . . 15.0 110.256 163.493 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.683 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 9.9 tp10 -62.94 -50.49 70.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.244 1.021 . . . . 15.0 109.859 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.028 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.3 mt -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 113.469 -1.696 . . . . 15.0 108.775 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.7 m-30 -80.1 -24.55 40.48 Favored 'General case' 0 N--CA 1.387 -3.575 0 N-CA-C 107.2 -1.407 . . . . 15.0 107.2 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 13' ' ' PHE . 32.1 t70 -80.44 -45.53 17.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.25 -0.886 . . . . 15.0 109.876 170.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm180 -50.17 -34.52 22.76 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.911 -1.495 . . . . 15.0 111.506 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -113.52 8.01 17.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.777 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 50.43 74.51 0.22 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 114.858 -1.065 . . . . 15.0 111.742 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.915 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -82.68 167.8 17.87 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.622 0.725 . . . . 15.0 110.806 -177.392 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.46 96.61 8.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.553 -1.647 . . . . 15.0 106.553 163.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.937 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.67 -26.38 66.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.704 -1.589 . . . . 15.0 111.156 -171.395 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.16 -49.26 7.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 15.0 112.007 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -45.87 -79.61 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -168.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.77 155.02 45.62 Favored 'General case' 0 CA--C 1.467 -2.214 0 CA-C-O 121.949 0.881 . . . . 15.0 109.485 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.0 t-105 -69.77 -51.67 31.9 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 113.449 -1.705 . . . . 15.0 109.421 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.871 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 2.9 p -81.32 -25.18 36.64 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 117.768 2.507 . . . . 15.0 117.768 -173.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.626 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.4 OUTLIER -46.84 -35.18 6.04 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 105.348 -2.093 . . . . 15.0 105.348 171.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.915 ' HB3' HD12 ' A' ' 21' ' ' LEU . 7.6 mm-40 -81.63 -50.63 9.1 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.857 -1.974 . . . . 15.0 111.568 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.871 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 5.5 p -73.83 -44.07 56.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.628 2.084 . . . . 15.0 116.628 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.722 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.63 -9.8 15.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.262 0.937 . . . . 15.0 109.051 178.573 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 20.3 ptmt -107.71 -42.76 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.292 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.725 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.1 pt -76.48 -12.52 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.297 -177.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.9 pt-20 -62.04 -27.29 68.78 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.823 0.344 . . . . 15.0 111.826 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -81.22 -2.39 48.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.281 0.562 . . . . 15.0 110.393 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -101.34 143.39 26.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.5 -0.926 . . . . 15.0 108.5 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.61 -3.9 10.01 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.387 2.058 . . . . 15.0 111.223 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.119 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 39.9 m-20 -79.59 -29.66 41.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.813 -1.085 . . . . 15.0 111.275 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -65.4 -34.42 78.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 171.39 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -84.71 9.78 13.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.812 -1.085 . . . . 15.0 110.844 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 1.119 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mptt -63.09 -32.32 73.66 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.179 0.514 . . . . 15.0 109.764 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.503 HD12 HD11 ' A' ' 52' ' ' LEU . 69.3 mt -117.49 138.15 49.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.318 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -68.29 -39.03 82.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.436 -0.347 . . . . 15.0 111.887 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.73 125.83 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.375 0.607 . . . . 15.0 112.015 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 23.0 t70 -78.05 -26.05 48.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.307 -0.86 . . . . 15.0 110.247 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -63.9 -10.79 22.79 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.483 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.4 t -105.93 -25.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.482 177.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.5 mtt180 -58.05 -43.92 87.15 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.666 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.73 -20.92 41.73 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 113.994 1.109 . . . . 15.0 113.994 -179.241 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -65.2 -9.82 26.6 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.812 -0.755 . . . . 15.0 111.116 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 16.8 mt -73.9 -50.41 20.32 Favored 'General case' 0 CA--C 1.457 -2.601 0 CA-C-O 125.775 2.702 . . . . 15.0 114.273 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 57' ' ' CYS 0.541 0.0 OUTLIER -72.61 -31.84 65.48 Favored 'General case' 2 C--N 1.199 -5.978 1 CA-C-N 107.344 -4.48 . . . . 15.0 110.072 -165.635 . . . . . . . . 6 4 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 2.3 mt-10 -57.09 -47.66 80.49 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.836 -1.529 . . . . 15.0 109.905 173.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.635 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 36.2 mt-10 -68.71 -50.3 51.93 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.282 -176.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.105 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 48.4 t90 -63.93 -24.29 67.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.183 0.992 . . . . 15.0 111.438 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.0 t -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.654 -1.612 . . . . 15.0 109.743 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.01 43.61 1.68 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 109.874 -1.29 . . . . 15.0 109.874 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.847 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.452 -0.785 . . . . 15.0 110.082 -174.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 123.748 1.737 . . . . 15.0 115.572 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.706 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.49 -37.25 28.22 Favored 'General case' 1 C--N 1.241 -4.123 0 CA-C-N 110.797 -2.911 . . . . 15.0 107.772 174.56 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.645 ' HA ' HD22 ' A' ' 52' ' ' LEU . 34.1 ptt85 -66.47 -50.3 63.76 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.286 -2.234 . . . . 15.0 112.112 -168.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.898 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 15.9 m120 -65.3 -13.04 57.53 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.485 -173.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.836 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.4 mt -66.47 -50.06 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.817 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.4 m-85 -69.15 -50.61 46.31 Favored 'General case' 0 C--O 1.17 -3.12 0 CA-C-O 117.187 -1.387 . . . . 15.0 112.732 -170.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.118 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.447 0.7 OUTLIER -39.47 -44.77 1.44 Allowed 'General case' 0 N--CA 1.512 2.652 0 C-N-CA 125.738 1.615 . . . . 15.0 111.085 165.985 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.94 -45.23 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.291 -1.003 . . . . 15.0 108.291 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.902 HD13 ' HB3' ' A' ' 39' ' ' ASP . 5.6 mt -64.93 -30.62 71.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.121 171.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.049 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.2 m-30 -75.54 -30.08 59.62 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 -170.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -80.49 -41.89 23.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.48 169.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 18' ' ' ARG . 14.1 ttm180 -55.69 -27.72 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.235 -0.893 . . . . 15.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 15' ' ' LEU . 79.3 m-85 -114.15 9.52 17.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.116 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 44.71 77.96 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.937 -1.029 . . . . 15.0 112.906 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD13 ' HB3' ' A' ' 30' ' ' GLN . 17.4 mt -87.17 -168.78 2.36 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.89 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.916 ' H ' ' CG ' ' A' ' 30' ' ' GLN . 15.8 m-20 -130.8 107.19 8.96 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.031 -1.47 . . . . 15.0 107.031 168.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -82.31 -6.74 59.45 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 114.119 -1.4 . . . . 15.0 110.141 -162.575 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 66.6 t80 -127.85 -28.81 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.245 -1.343 . . . . 15.0 110.841 -173.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 19.7 m -60.25 -74.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.573 -0.74 . . . . 15.0 111.61 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.16 164.71 27.06 Favored 'General case' 0 CA--C 1.461 -2.451 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 174.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.7 t-105 -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.097 -1.41 . . . . 15.0 110.312 168.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.835 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.316 2.0 p -81.49 -26.89 34.83 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 118.952 2.945 . . . . 15.0 118.952 -170.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.4 tt -52.05 -30.34 25.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 121.655 2.025 . . . . 15.0 106.073 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.916 ' CG ' ' H ' ' A' ' 22' ' ' ASP . 3.8 mp0 -81.77 -47.3 13.05 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 112.111 -2.313 . . . . 15.0 109.564 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.015 ' HA ' HD11 ' A' ' 34' ' ' ILE 0.253 60.4 p -80.28 -23.98 40.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 118.597 2.814 . . . . 15.0 118.597 -179.135 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HG2' ' O ' ' A' ' 28' ' ' SER . 22.0 ptmt -76.8 -9.98 59.06 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.082 -1.451 . . . . 15.0 107.082 168.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.4 ttmp? -88.61 -70.75 0.63 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.508 -1.678 . . . . 15.0 112.228 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.015 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -57.85 -27.96 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 113.808 1.04 . . . . 15.0 113.808 -177.108 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.875 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tm-20 -28.54 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.044 1.338 . . . . 15.0 114.31 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -61.74 29.32 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.381 1.252 . . . . 15.0 114.381 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' GLU . 19.7 m-20 -123.4 142.22 38.21 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' O ' ' HE3' ' A' ' 42' ' ' LYS . 50.3 Cg_exo -55.31 -24.05 40.66 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.064 2.51 . . . . 15.0 112.871 -176.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.902 ' HB3' HD13 ' A' ' 15' ' ' LEU . 17.1 m-20 -71.51 -43.37 66.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.565 -175.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.875 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 82.3 t80 -73.22 -10.08 59.39 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.718 -0.614 . . . . 15.0 109.899 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.25 1.28 57.31 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.628 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.817 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 8.0 mmpt? -54.61 -53.72 50.97 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.111 0.481 . . . . 15.0 110.523 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 8' ' ' GLU . 44.8 mm -91.02 130.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.259 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -59.32 -51.38 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.805 . . . . 15.0 111.413 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -83.06 123.25 29.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.271 0.558 . . . . 15.0 111.235 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.7 t70 -76.26 -29.01 57.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.398 -0.819 . . . . 15.0 110.584 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 10.7 t -73.24 2.02 8.21 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.249 0.547 . . . . 15.0 111.144 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.0 t -106.73 -28.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 96.0 mtt180 -57.3 -42.81 82.48 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 115.195 -0.911 . . . . 15.0 111.642 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.51 -31.77 37.06 Favored 'General case' 0 N--CA 1.432 -1.367 0 C-N-CA 119.171 -1.012 . . . . 15.0 112.791 -176.238 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.3 m -63.7 -9.78 15.88 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.341 0.591 . . . . 15.0 110.157 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 25.3 mt -70.6 -50.17 39.99 Favored 'General case' 0 CA--C 1.464 -2.341 0 CA-C-O 125.39 2.519 . . . . 15.0 113.961 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.75 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.533 0.0 OUTLIER -79.87 -28.76 39.94 Favored 'General case' 2 C--N 1.204 -5.723 1 CA-C-N 107.955 -4.202 . . . . 15.0 110.624 -158.567 . . . . . . . . 6 4 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.609 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 1.6 mt-10 -60.76 -36.8 79.86 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 112.935 -1.939 . . . . 15.0 109.919 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.65 -50.17 39.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.289 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.118 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 23.5 t90 -69.62 -14.42 62.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.596 1.188 . . . . 15.0 111.223 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 24' ' ' PHE . 14.2 t -62.85 -50.24 71.71 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 113.782 -1.554 . . . . 15.0 110.124 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.3 26.85 21.57 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.025 -1.23 . . . . 15.0 110.025 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.048 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.1 tp10 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.225 -0.988 . . . . 15.0 110.058 -173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 CA--C 1.47 -2.118 0 CA-C-O 126.911 3.243 . . . . 15.0 110.189 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.564 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.79 -30.71 40.68 Favored 'General case' 1 C--N 1.197 -6.033 1 CA-C-N 103.694 -6.139 . . . . 15.0 111.05 -176.562 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 52' ' ' LEU . 18.1 ptt180 -57.23 -50.34 73.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.513 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.93 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 43.1 m-80 -62.72 -19.72 64.2 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.943 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.844 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.0 mt -58.98 -49.44 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.794 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 3.7 m-85 -70.38 -51.02 32.8 Favored 'General case' 0 C--O 1.17 -3.112 0 CA-C-O 116.621 -1.657 . . . . 15.0 112.385 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.14 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.368 0.3 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 N--CA 1.511 2.584 0 C-N-CA 125.423 1.489 . . . . 15.0 110.631 165.239 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.38 -43.26 86.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.044 -0.354 . . . . 15.0 110.044 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.056 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.7 mt -64.71 -31.61 72.91 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 170.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.5 m-30 -75.91 -29.86 58.55 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 108.453 -0.943 . . . . 15.0 108.453 -169.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.23 -46.12 16.81 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.995 -1.002 . . . . 15.0 110.803 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.92 -28.91 62.58 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.927 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -111.09 11.56 21.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.08 -0.711 . . . . 15.0 109.08 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.6 mptp? 48.28 84.51 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 114.564 -1.198 . . . . 15.0 112.972 175.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.946 HD13 ' HB3' ' A' ' 30' ' ' GLN . 48.5 mt -97.45 147.85 23.8 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 122.487 1.137 . . . . 15.0 111.36 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 5.2 m-20 -87.06 81.99 7.88 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 112.669 -2.06 . . . . 15.0 105.818 168.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.967 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -53.65 -19.81 4.49 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.39 -2.187 . . . . 15.0 112.985 -163.778 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -108.47 -3.71 17.91 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 t -79.4 -76.56 0.2 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.861 0.362 . . . . 15.0 111.206 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -136.07 161.9 34.42 Favored 'General case' 0 CA--C 1.456 -2.67 0 N-CA-C 107.798 -1.186 . . . . 15.0 107.798 174.055 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.15 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 5.4 t-105 -67.53 -52.9 33.42 Favored 'General case' 0 C--N 1.269 -2.923 0 C-N-CA 117.096 -1.842 . . . . 15.0 109.957 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.865 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.448 2.7 p -82.86 -30.62 28.48 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 120.556 3.539 . . . . 15.0 120.556 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.6 OUTLIER -48.02 -34.05 8.85 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 105.524 -2.028 . . . . 15.0 105.524 177.488 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.946 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -82.28 -50.75 8.61 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 112.783 -2.008 . . . . 15.0 111.704 173.447 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.725 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 95.1 p -74.1 -14.65 61.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.327 1.603 . . . . 15.0 115.327 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.865 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 11.0 mmmm -65.56 -9.54 27.36 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 166.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 8.7 mtpm? -102.55 -9.88 19.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.312 -171.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.688 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -113.49 -27.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.706 -1.134 . . . . 15.0 109.093 173.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.705 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 23.3 tt0 -27.68 -83.78 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.966 1.307 . . . . 15.0 114.471 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 15.0 112.154 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 1.9 m-20 -93.89 141.92 24.37 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.955 -0.757 . . . . 15.0 108.955 174.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.68 -25.72 35.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.96 2.44 . . . . 15.0 113.053 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 1.056 ' HB3' HD13 ' A' ' 15' ' ' LEU . 16.5 m-20 -80.04 -25.57 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.496 0.554 . . . . 15.0 112.496 -174.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.705 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 48.2 t80 -71.27 -23.0 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -88.52 7.95 30.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.215 -0.902 . . . . 15.0 110.827 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 32.1 mmtp -66.67 -28.54 68.54 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.422 -0.585 . . . . 15.0 109.422 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 12' ' ' PHE . 37.6 mm -110.67 126.88 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.514 -0.767 . . . . 15.0 109.792 175.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.3 -59.69 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.966 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.8 m-20 -80.29 116.44 20.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.471 -0.786 . . . . 15.0 111.22 -174.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 24.3 t70 -63.21 -29.88 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.454 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -2.46 17.57 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.305 0.574 . . . . 15.0 110.878 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 58.0 t -104.99 -24.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 15.0 109.792 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -64.07 -48.21 77.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.35 0.595 . . . . 15.0 111.003 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.15 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.75 -9.86 59.77 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.273 1.035 . . . . 15.0 113.28 178.017 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.707 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 21.4 m -74.06 -9.42 58.61 Favored 'General case' 0 C--N 1.277 -2.566 0 O-C-N 121.709 -0.619 . . . . 15.0 110.076 161.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 9' ' ' ARG . 47.2 mt -77.54 -50.07 13.37 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-O 125.191 2.424 . . . . 15.0 113.847 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.7 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.52 0.0 OUTLIER -79.91 -32.87 40.21 Favored 'General case' 2 C--N 1.204 -5.747 0 CA-C-N 108.666 -3.879 . . . . 15.0 109.4 -162.311 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.707 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 4.1 pt-20 -59.13 -33.85 71.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 112.729 -2.032 . . . . 15.0 110.597 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 26.9 mt-10 -80.34 -50.46 10.12 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 111.932 0.345 . . . . 15.0 111.932 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.14 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 30.7 t90 -62.72 -19.92 64.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.068 0.937 . . . . 15.0 111.404 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.4 t -62.98 -49.99 72.51 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.129 -1.396 . . . . 15.0 110.171 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.43 45.78 1.27 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.817 -1.313 . . . . 15.0 109.817 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.918 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.592 -0.718 . . . . 15.0 109.903 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 CA--C 1.466 -2.271 0 CA-C-O 126.491 3.043 . . . . 15.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.485 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -74.83 -25.24 58.86 Favored 'General case' 1 C--N 1.197 -6.041 1 CA-C-N 104.6 -5.727 . . . . 15.0 109.26 -178.939 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.9 ptt180 -54.01 -50.41 66.68 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.74 -1.118 . . . . 15.0 110.567 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.937 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 36.7 m-80 -62.57 -20.53 64.79 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.093 -175.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.853 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.0 mm -61.3 -44.18 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 174.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.765 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -77.09 -50.76 12.32 Favored 'General case' 0 C--O 1.172 -3.022 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.835 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.097 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.374 0.2 OUTLIER -39.17 -44.33 1.19 Allowed 'General case' 0 N--CA 1.511 2.616 0 CA-C-N 120.404 1.456 . . . . 15.0 110.117 164.639 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 1.1 tm-20 -64.71 -48.12 75.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.174 -0.676 . . . . 15.0 109.174 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.853 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.6 mt -63.78 -31.04 72.08 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.39 171.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.031 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.1 m-30 -77.49 -26.36 51.2 Favored 'General case' 0 N--CA 1.398 -3.038 0 N-CA-C 107.809 -1.182 . . . . 15.0 107.809 -168.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.23 -45.9 17.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.813 -1.085 . . . . 15.0 110.11 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 18' ' ' ARG . 41.3 ttp180 -62.6 -21.88 65.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.739 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.82 7.34 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.731 -0.47 . . . . 15.0 109.731 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 45.54 67.53 0.72 Allowed 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.722 -1.126 . . . . 15.0 112.571 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.932 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.4 mt -81.87 144.41 31.02 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 122.296 1.046 . . . . 15.0 111.162 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -82.91 86.37 6.96 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 113.007 -1.906 . . . . 15.0 106.36 170.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -59.08 -27.77 65.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.084 -1.871 . . . . 15.0 111.854 -165.651 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -96.48 -14.97 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.621 0.6 . . . . 15.0 112.621 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -69.44 -74.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.136 0.493 . . . . 15.0 111.405 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -148.85 161.62 41.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 107.802 -1.185 . . . . 15.0 107.802 179.198 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.155 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.5 t-105 -68.87 -52.44 29.65 Favored 'General case' 0 C--N 1.271 -2.826 0 C-N-CA 116.963 -1.895 . . . . 15.0 109.455 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.823 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.373 3.0 p -82.44 -24.34 34.36 Favored 'General case' 0 N--CA 1.423 -1.798 0 N-CA-C 119.718 3.229 . . . . 15.0 119.718 -176.318 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 4.1 tt -51.85 -33.16 35.06 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 105.087 -2.19 . . . . 15.0 105.087 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.932 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -82.43 -50.21 9.12 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.444 -2.162 . . . . 15.0 111.279 175.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.823 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 11.2 p -78.55 -10.14 59.61 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 117.207 2.299 . . . . 15.0 117.207 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.01 -9.82 59.72 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 169.166 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 48.2 mmtt -85.49 -68.41 0.73 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.054 -1.884 . . . . 15.0 111.029 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.95 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -57.76 -31.58 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -176.205 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.778 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -38.12 117.15 0.58 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.205 1.003 . . . . 15.0 112.599 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 87.16 -0.06 0.52 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 112.087 -2.324 . . . . 15.0 111.249 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -90.39 143.17 28.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.006 -0.739 . . . . 15.0 109.006 170.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.94 -27.57 64.17 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.911 2.408 . . . . 15.0 113.018 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.2 m-20 -62.66 -48.77 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.174 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.95 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 54.5 t80 -70.09 -11.35 60.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.826 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -94.38 4.4 53.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.623 -0.262 . . . . 15.0 111.568 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.624 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 64.2 mmtt -63.35 -44.81 93.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.63 0.253 . . . . 15.0 111.292 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.765 HG12 ' CE1' ' A' ' 12' ' ' PHE . 36.2 mm -89.26 131.07 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -58.26 -43.92 88.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.035 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.55 123.55 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.443 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 22.4 t70 -77.52 -21.98 51.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.126 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -74.39 -2.42 25.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.335 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 87.2 t -110.43 -24.57 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.244 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 95.6 mtt180 -56.29 -49.77 73.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.29 0.567 . . . . 15.0 111.422 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.155 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.95 -10.28 59.73 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 113.882 1.067 . . . . 15.0 113.882 177.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.8 m -76.83 -9.73 58.88 Favored 'General case' 0 C--N 1.28 -2.455 0 C-N-CA 119.463 -0.895 . . . . 15.0 110.138 163.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' ARG . 32.7 mt -75.58 -44.46 43.04 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 125.191 2.424 . . . . 15.0 114.126 -174.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 54' ' ' GLU 0.517 0.0 OUTLIER -79.74 -28.94 40.43 Favored 'General case' 2 C--N 1.204 -5.757 0 CA-C-N 108.534 -3.939 . . . . 15.0 110.038 -160.854 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.58 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -56.06 -38.13 70.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.065 -1.879 . . . . 15.0 109.81 171.362 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.05 -50.69 18.54 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.568 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.097 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.2 t90 -68.25 -18.93 64.67 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.039 . . . . 15.0 111.01 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.23 -47.78 75.59 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 113.409 -1.723 . . . . 15.0 109.258 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.73 40.29 2.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.12 -1.192 . . . . 15.0 110.12 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.957 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.085 -173.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 CA--C 1.471 -2.069 0 CA-C-O 126.602 3.096 . . . . 15.0 111.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.94 -18.59 50.08 Favored 'General case' 1 C--N 1.196 -6.101 1 CA-C-N 104.775 -5.648 . . . . 15.0 110.564 179.775 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.802 ' HA ' HD22 ' A' ' 52' ' ' LEU . 15.2 ptt180 -58.45 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.505 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.935 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 39.1 m-80 -63.45 -22.46 66.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.125 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.817 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.7 mt -60.43 -46.9 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.862 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 2.7 m-85 -70.48 -50.76 34.67 Favored 'General case' 0 C--O 1.173 -2.946 0 CA-C-O 116.655 -1.64 . . . . 15.0 112.291 -174.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.08 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.4 0.4 OUTLIER -39.32 -47.03 1.67 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.024 1.33 . . . . 15.0 110.439 164.14 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.25 -39.34 86.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.936 0.398 . . . . 15.0 110.256 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 11.1 mt -70.58 -28.9 65.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 171.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.056 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.0 m-30 -79.86 -25.3 40.75 Favored 'General case' 0 N--CA 1.393 -3.302 0 N-CA-C 106.804 -1.554 . . . . 15.0 106.804 -171.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' PHE . 31.9 t70 -80.33 -46.55 15.93 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.202 . . . . 15.0 109.864 171.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.8 ttp180 -59.05 -24.61 63.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.598 -1.183 . . . . 15.0 111.183 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -105.1 -2.59 24.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.592 -0.443 . . . . 15.0 109.826 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.599 ' HB2' ' NZ ' ' A' ' 20' ' ' LYS . 5.2 mtmp? 54.39 72.53 0.45 Allowed 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.457 -0.792 . . . . 15.0 110.654 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -82.63 166.13 19.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 121.679 0.752 . . . . 15.0 110.456 -177.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.591 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 19.0 m-20 -96.32 86.09 4.12 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.817 -1.549 . . . . 15.0 106.817 166.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.975 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.52 -31.21 71.95 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 112.772 -2.013 . . . . 15.0 110.941 -169.53 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -101.13 -2.29 31.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.847 -0.615 . . . . 15.0 112.619 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 t -80.74 -79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.087 0.47 . . . . 15.0 110.773 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -144.53 153.1 41.49 Favored 'General case' 0 CA--C 1.467 -2.236 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.127 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 14.8 t-105 -67.23 -51.41 53.52 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 113.845 -1.525 . . . . 15.0 109.233 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.822 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.268 2.3 p -81.28 -23.84 37.65 Favored 'General case' 0 N--CA 1.416 -2.128 0 N-CA-C 117.414 2.376 . . . . 15.0 117.414 -173.709 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 29' ' ' LEU . 6.7 tt -53.52 -28.72 32.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.532 -2.025 . . . . 15.0 105.532 173.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.919 ' HB3' HD12 ' A' ' 21' ' ' LEU . 9.3 mm-40 -81.67 -50.32 9.45 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 113.179 -1.828 . . . . 15.0 110.569 173.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.067 ' HA ' HD11 ' A' ' 34' ' ' ILE . 54.4 p -78.64 -24.71 45.11 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 117.866 2.543 . . . . 15.0 117.866 -175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 28' ' ' SER . 9.3 ptmm? -80.16 -10.69 59.77 Favored 'General case' 0 C--N 1.313 -1.022 0 O-C-N 120.609 -1.307 . . . . 15.0 107.496 166.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 62.7 tttp -86.02 -67.59 0.8 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.76 -1.564 . . . . 15.0 112.105 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.067 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -52.97 -45.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 120.923 0.392 . . . . 15.0 111.774 -177.314 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.795 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.4 tm-20 17.92 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.534 1.934 . . . . 15.0 114.934 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 6.9 p30 -72.82 5.53 3.15 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.227 1.195 . . . . 15.0 114.227 -172.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.03 144.16 67.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.015 -0.428 . . . . 15.0 110.597 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.98 -27.74 55.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.322 2.681 . . . . 15.0 112.407 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 18' ' ' ARG . 1.1 m-20 -62.2 -50.01 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.321 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.908 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 73.7 t80 -74.99 -10.16 59.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.107 0.48 . . . . 15.0 110.722 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 36' ' ' ASN . 17.3 m-30 -100.16 10.58 41.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.444 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.862 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.3 mmtt -69.84 -21.97 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.207 0.527 . . . . 15.0 110.199 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.75 HD12 HD11 ' A' ' 52' ' ' LEU . 72.0 mt -122.17 125.96 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.818 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.609 . . . . 15.0 112.392 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.58 119.44 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.205 0.526 . . . . 15.0 111.624 -174.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 26.4 t70 -72.78 -25.51 61.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.09 -0.959 . . . . 15.0 110.316 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.06 1.28 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 15.0 111.984 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.4 t -107.03 -26.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 172.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.9 mtt180 -60.34 -48.76 80.35 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.856 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.127 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.82 -14.04 58.4 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 114.057 1.132 . . . . 15.0 114.057 179.313 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -71.62 -9.68 58.62 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.56 -0.856 . . . . 15.0 110.378 165.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.1 mt -76.97 -50.4 13.29 Favored 'General case' 0 CA--C 1.46 -2.504 0 CA-C-O 125.959 2.79 . . . . 15.0 113.713 -174.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.852 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.537 0.0 OUTLIER -70.24 -30.63 67.73 Favored 'General case' 2 C--N 1.2 -5.897 1 CA-C-N 107.108 -4.587 . . . . 15.0 110.193 -165.627 . . . . . . . . 6 4 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -55.87 -50.12 71.48 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.841 -1.527 . . . . 15.0 109.77 172.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.72 -48.81 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.154 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.08 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 61.1 t90 -71.39 -20.46 62.14 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.177 0.989 . . . . 15.0 111.656 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 51.1 t -69.76 -50.05 47.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.822 -1.081 . . . . 15.0 109.232 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.79 41.18 2.27 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.078 -1.209 . . . . 15.0 110.078 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.832 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.701 -0.749 . . . . 15.0 109.43 -173.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 CA--C 1.468 -2.18 0 CA-C-O 126.657 3.122 . . . . 15.0 110.775 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -68.08 -30.61 69.84 Favored 'General case' 1 C--N 1.199 -5.96 2 CA-C-N 103.788 -6.096 . . . . 15.0 109.969 -179.938 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.682 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.4 ptt180 -54.29 -50.14 68.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.113 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.938 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 14.7 m120 -61.87 -19.86 63.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.663 -0.698 . . . . 15.0 110.904 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 70.4 mt -60.47 -45.69 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.386 -0.598 . . . . 15.0 109.386 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.709 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -73.63 -51.08 17.99 Favored 'General case' 0 C--O 1.176 -2.803 0 CA-C-O 116.828 -1.558 . . . . 15.0 112.447 -173.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.094 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.341 0.2 OUTLIER -39.73 -44.19 1.52 Allowed 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 124.822 1.249 . . . . 15.0 110.155 163.828 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.73 -50.01 68.57 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.504 0.669 . . . . 15.0 109.459 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 39' ' ' ASP . 12.2 mt -60.55 -31.6 70.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.89 -1.05 . . . . 15.0 108.835 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.047 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.3 m-30 -79.98 -26.58 39.87 Favored 'General case' 0 N--CA 1.389 -3.489 0 N-CA-C 107.575 -1.269 . . . . 15.0 107.575 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' PHE . 29.5 t70 -80.54 -45.22 17.78 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.927 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 18' ' ' ARG . 32.2 ttt85 -60.58 -24.9 65.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.592 -1.186 . . . . 15.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -104.74 1.02 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.298 -1.001 . . . . 15.0 108.298 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 39.59 83.17 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.978 -1.465 . . . . 15.0 111.941 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -86.32 164.42 17.11 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 114.295 -1.321 . . . . 15.0 110.073 -177.026 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.695 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 15.7 m-20 -90.56 79.61 6.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.84 -28.87 70.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.018 -2.356 . . . . 15.0 110.876 -169.531 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -106.6 28.74 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.838 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -117.77 -80.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -142.06 154.56 45.05 Favored 'General case' 0 CA--C 1.47 -2.119 0 CA-C-O 121.777 0.799 . . . . 15.0 109.092 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.138 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.8 t-105 -68.53 -51.48 42.56 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.677 -1.602 . . . . 15.0 109.494 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.846 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.284 2.6 p -81.31 -23.76 37.62 Favored 'General case' 0 N--CA 1.412 -2.359 0 N-CA-C 117.005 2.224 . . . . 15.0 117.005 -173.147 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 tp -49.2 -32.57 10.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.096 -1.816 . . . . 15.0 106.096 170.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.986 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.8 -50.44 9.23 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.63 -2.077 . . . . 15.0 111.396 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.978 ' HA ' HD11 ' A' ' 34' ' ' ILE . 16.4 p -79.1 -20.78 47.84 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 117.529 2.418 . . . . 15.0 117.529 -175.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -80.24 -15.61 56.6 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.058 -1.46 . . . . 15.0 107.058 165.641 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 52.7 tttp -84.01 -63.08 1.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 113.394 -1.73 . . . . 15.0 112.516 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.978 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -56.67 -34.77 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -176.687 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.919 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -36.62 139.2 0.19 Allowed 'General case' 0 N--CA 1.428 -1.538 0 CA-C-O 123.388 1.566 . . . . 15.0 112.57 173.572 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 t30 81.29 -20.45 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 110.02 -3.264 . . . . 15.0 111.549 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 52.7 m-20 -79.02 144.45 63.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.126 -0.359 . . . . 15.0 110.084 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 26.5 Cg_exo -62.36 -13.7 34.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.656 2.238 . . . . 15.0 112.602 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.942 ' HB3' HD13 ' A' ' 15' ' ' LEU . 53.7 m-20 -80.12 -37.03 34.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -175.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CG ' HD13 ' A' ' 34' ' ' ILE . 30.8 t80 -65.54 -30.31 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.226 -0.59 . . . . 15.0 111.133 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.719 ' CZ ' ' HA ' ' A' ' 38' ' ' PRO . 12.3 p90 -99.3 25.96 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.881 -0.728 . . . . 15.0 111.549 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.65 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 35.6 mmtm -63.6 -30.92 71.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.263 0.554 . . . . 15.0 109.791 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.709 HG12 ' CE1' ' A' ' 12' ' ' PHE . 39.5 mm -103.03 135.54 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.117 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -58.0 -29.63 65.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.354 -0.839 . . . . 15.0 112.714 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.629 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m-20 -117.84 146.07 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.491 0.663 . . . . 15.0 111.642 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.9 t70 -92.56 -28.8 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 15.0 111.116 -175.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -80.93 16.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.93 0.871 . . . . 15.0 109.998 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 t -117.35 -22.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.947 -1.024 . . . . 15.0 108.513 169.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.632 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.0 mtt180 -63.67 -47.93 79.26 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.139 -0.937 . . . . 15.0 111.255 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.138 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.58 -9.81 59.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.695 0.998 . . . . 15.0 113.695 177.673 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 m -76.42 -9.7 58.85 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 119.567 -0.853 . . . . 15.0 110.615 162.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.6 mt -76.11 -46.71 27.55 Favored 'General case' 0 CA--C 1.466 -2.278 0 CA-C-O 125.053 2.359 . . . . 15.0 114.02 -174.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' HD1' ' CD ' ' A' ' 23' ' ' LYS 0.506 0.1 OUTLIER -80.06 -31.58 39.4 Favored 'General case' 2 C--N 1.203 -5.766 0 CA-C-N 108.687 -3.869 . . . . 15.0 110.312 -162.363 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.76 -45.59 74.22 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.718 -1.583 . . . . 15.0 109.331 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.38 -50.49 45.65 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.567 -0.742 . . . . 15.0 112.305 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.094 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 33.4 t90 -66.08 -19.59 65.9 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.143 0.973 . . . . 15.0 111.175 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 53.3 t -64.83 -45.89 84.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.026 -1.443 . . . . 15.0 109.774 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.27 24.99 10.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.519 -1.033 . . . . 15.0 110.519 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.974 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.46 -0.87 . . . . 15.0 109.864 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 CA--C 1.467 -2.236 0 CA-C-O 126.672 3.13 . . . . 15.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.92 -30.59 71.19 Favored 'General case' 1 C--N 1.198 -6.005 1 CA-C-N 104.124 -5.944 . . . . 15.0 110.538 -178.994 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.77 ' HA ' HD22 ' A' ' 52' ' ' LEU . 47.1 ptt85 -55.25 -50.35 69.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.769 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.949 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 24.6 m-80 -59.29 -25.67 64.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.589 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.773 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.4 mt -54.89 -50.09 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 O-C-N 123.499 0.5 . . . . 15.0 109.657 173.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.7 m-85 -71.6 -50.86 26.93 Favored 'General case' 0 C--O 1.167 -3.237 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.293 -172.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.09 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.38 0.3 OUTLIER -39.71 -47.39 2.02 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.425 1.466 . . . . 15.0 110.594 165.618 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' ASN . 38.2 mt-10 -69.41 -39.41 77.94 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.582 -0.447 . . . . 15.0 109.983 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -66.32 -32.37 73.73 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 107.813 -1.18 . . . . 15.0 107.813 169.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 1.05 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.5 m-30 -77.97 -24.61 48.02 Favored 'General case' 0 N--CA 1.392 -3.346 0 N-CA-C 107.532 -1.284 . . . . 15.0 107.532 -168.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.9 t70 -80.47 -44.85 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.481 0.658 . . . . 15.0 109.994 170.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -58.93 -27.45 65.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.702 -1.136 . . . . 15.0 110.899 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -106.23 11.56 31.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm 39.6 70.08 0.25 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.852 1.345 . . . . 15.0 112.055 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.95 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.8 OUTLIER -79.08 165.5 23.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.442 -175.813 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.57 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 5.2 m-20 -97.73 87.31 4.01 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.563 -1.643 . . . . 15.0 106.563 165.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.09 -30.0 71.25 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 112.617 -2.083 . . . . 15.0 110.876 -169.391 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -87.91 -30.4 20.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.522 0.564 . . . . 15.0 112.522 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -63.47 -80.59 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.52 154.47 47.68 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-O 121.854 0.835 . . . . 15.0 109.27 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.115 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.4 t-105 -66.53 -51.56 55.23 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 113.597 -1.638 . . . . 15.0 108.932 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.872 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.283 5.5 p -81.36 -31.96 33.14 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 117.608 2.447 . . . . 15.0 117.608 -172.173 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 33.9 tp -49.83 -27.98 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 175.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.95 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.2 mm-40 -82.06 -50.31 9.22 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 112.851 -1.977 . . . . 15.0 111.186 170.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.872 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 57.7 p -80.18 -40.9 26.32 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.759 2.133 . . . . 15.0 116.759 -173.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.801 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.9 ptmm? -64.82 -9.66 22.35 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.965 -1.124 . . . . 15.0 107.965 170.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.09 -51.87 3.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.593 -1.185 . . . . 15.0 110.614 177.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.694 HD13 ' HE1' ' A' ' 16' ' ' PHE . 4.0 pt -73.06 -5.6 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.333 0.587 . . . . 15.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.978 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 9.2 tt0 -45.76 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.419 -1.264 . . . . 15.0 112.242 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -50.08 -27.34 5.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.966 176.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 28.3 m-20 -68.17 158.41 84.31 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 15.0 110.875 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.94 2.41 4.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.02 1.813 . . . . 15.0 110.745 168.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' HB3' ' HB ' ' A' ' 34' ' ' ILE . 9.1 t0 -67.76 -50.5 56.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.912 -1.04 . . . . 15.0 109.674 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.978 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.59 -44.47 85.41 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.238 175.447 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.89 9.74 3.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.152 -0.931 . . . . 15.0 113.099 -165.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 70.5 mmtt -77.68 -25.9 49.87 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.46 -0.571 . . . . 15.0 109.46 172.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 52' ' ' LEU . 75.9 mt -127.46 126.34 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.358 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 14.0 ptt180 -65.46 -42.87 91.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 15.0 111.348 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.541 ' N ' ' HG3' ' A' ' 44' ' ' ARG . 9.3 m-20 -77.13 106.42 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.197 0.523 . . . . 15.0 111.234 -174.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 25.6 t70 -67.67 -23.94 65.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -73.4 -6.31 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 15.0 111.339 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.9 t -104.45 -28.82 2.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.592 -0.522 . . . . 15.0 109.592 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 89.2 mtt180 -55.52 -49.44 72.59 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.018 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.115 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.81 -10.12 59.75 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.278 1.214 . . . . 15.0 114.278 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.7 m -71.98 -9.5 58.45 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.183 -1.007 . . . . 15.0 110.446 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 9' ' ' ARG . 19.8 mt -76.86 -50.08 14.23 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-O 125.333 2.492 . . . . 15.0 113.895 -173.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.518 0.0 OUTLIER -78.14 -29.99 49.04 Favored 'General case' 2 C--N 1.199 -5.965 0 CA-C-N 108.415 -3.993 . . . . 15.0 110.161 -163.636 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -47.31 69.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.933 -1.485 . . . . 15.0 109.428 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 23.4 mm-40 -75.24 -50.54 15.81 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.668 -0.696 . . . . 15.0 112.018 -172.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.09 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.8 t90 -60.98 -23.56 65.45 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.546 1.165 . . . . 15.0 111.312 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.513 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 42.8 t -68.74 -50.36 51.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.528 -1.669 . . . . 15.0 111.167 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.96 41.87 2.06 Favored Glycine 0 CA--C 1.495 -1.166 0 N-CA-C 109.211 -1.555 . . . . 15.0 109.211 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.757 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 20.5 tt0 . . . . . 0 N--CA 1.435 -1.184 0 CA-C-N 114.626 -0.787 . . . . 15.0 110.898 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.544 0.688 . . . . 15.0 109.587 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.54 HG22 ' HD3' ' A' ' 9' ' ' ARG . 42.8 pt 41.4 93.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 114.308 -1.315 . . . . 15.0 113.92 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -174.72 -48.66 0.01 OUTLIER 'General case' 0 CA--C 1.471 -2.072 0 CA-C-O 126.573 3.082 . . . . 15.0 111.283 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -78.44 -24.59 46.0 Favored 'General case' 1 C--N 1.198 -6.018 1 CA-C-N 104.448 -5.797 . . . . 15.0 109.914 -179.906 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HD3' HG22 ' A' ' 6' ' ' ILE . 22.0 ptt180 -56.11 -50.18 71.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.669 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.962 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 42.7 m-80 -60.95 -19.81 61.39 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.066 -176.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mm -59.46 -44.74 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 172.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.694 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.7 m-85 -74.58 -51.11 15.47 Favored 'General case' 0 C--O 1.175 -2.838 0 CA-C-O 117.129 -1.415 . . . . 15.0 112.875 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.166 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.57 -45.18 1.57 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.015 1.326 . . . . 15.0 110.202 162.969 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 12.6 tp10 -63.38 -50.24 70.68 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.988 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.0 mt -59.99 -32.54 70.94 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.215 -0.902 . . . . 15.0 108.965 171.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.08 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m-30 -77.7 -30.65 51.94 Favored 'General case' 0 N--CA 1.392 -3.352 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 -167.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.56 -37.49 31.32 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.731 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -49.81 -35.51 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.166 -0.925 . . . . 15.0 111.175 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -111.27 12.85 21.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.08 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.61 76.77 0.05 Allowed 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 124.518 1.136 . . . . 15.0 112.174 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 30' ' ' GLN . 23.3 mt -77.03 -171.36 1.97 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.161 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.989 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 7.4 t70 -119.41 106.03 11.86 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 107.85 -1.167 . . . . 15.0 107.85 160.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.972 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -75.35 -0.54 20.16 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.199 -1.364 . . . . 15.0 110.435 -170.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.49 -47.14 2.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 35.6 t -47.24 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.535 0.734 . . . . 15.0 111.997 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 ' H ' ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -135.45 157.99 45.51 Favored 'General case' 0 CA--C 1.458 -2.588 0 N-CA-C 108.34 -0.985 . . . . 15.0 108.34 174.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.137 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.1 t-105 -72.91 -52.03 16.26 Favored 'General case' 0 C--N 1.27 -2.88 0 C-N-CA 117.409 -1.716 . . . . 15.0 109.046 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.88 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.303 6.0 p -82.19 -34.69 28.88 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 118.554 2.798 . . . . 15.0 118.554 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 13.4 tp -48.76 -31.16 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.348 -1.723 . . . . 15.0 106.348 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.989 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -82.08 -47.57 12.43 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 112.703 -2.044 . . . . 15.0 110.454 172.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.88 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 65.2 p -79.6 -40.36 29.53 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.898 2.184 . . . . 15.0 116.898 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.6 ptmm? -64.56 -9.37 18.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.328 -0.99 . . . . 15.0 108.328 171.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 23.6 ttmm -92.52 -40.45 10.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 113.995 -1.457 . . . . 15.0 109.584 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 40' ' ' PHE . 2.0 pt -86.39 -4.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.564 0.697 . . . . 15.0 109.867 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.93 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tt0 -44.61 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.957 -1.474 . . . . 15.0 114.023 -175.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.95 -25.13 1.24 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.595 -1.184 . . . . 15.0 112.94 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 5.0 m-20 -63.57 132.49 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.157 -0.312 . . . . 15.0 110.157 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.7 Cg_exo -56.43 -13.11 9.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.914 2.409 . . . . 15.0 112.451 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.988 ' HB3' HD13 ' A' ' 15' ' ' LEU . 8.0 m-20 -80.07 -29.04 39.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.063 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.93 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 2.0 t80 -61.6 -27.66 68.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.535 -0.913 . . . . 15.0 108.535 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -93.75 12.37 25.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.063 -0.971 . . . . 15.0 111.441 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 36.6 mmtm -59.45 -38.46 80.81 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 45' ' ' ASP . 47.0 mm -117.02 130.31 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.817 -1.083 . . . . 15.0 108.929 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -82.53 -9.36 59.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 15.0 110.126 -176.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 43' ' ' ILE . 5.9 m-20 -91.18 101.9 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.388 -0.824 . . . . 15.0 109.671 177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 27.2 t70 -66.81 -29.36 69.28 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -65.94 -13.67 60.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.587 -0.733 . . . . 15.0 111.415 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.425 ' O ' HD13 ' A' ' 52' ' ' LEU . 87.6 t -100.95 -33.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 15.0 110.046 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.805 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.1 mtt180 -53.02 -50.0 65.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.645 -0.707 . . . . 15.0 111.738 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.137 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.04 -27.03 39.5 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.007 -1.077 . . . . 15.0 112.606 -175.125 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -60.7 -12.54 10.72 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 120.148 -0.621 . . . . 15.0 110.395 168.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.36 -51.13 9.23 Favored 'General case' 0 CA--C 1.461 -2.442 0 CA-C-O 125.829 2.728 . . . . 15.0 113.64 -172.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.543 1.6 t80 -48.74 -43.19 37.34 Favored 'General case' 2 C--N 1.2 -5.893 1 CA-C-N 106.498 -4.865 . . . . 15.0 112.623 175.007 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -69.74 -37.24 76.4 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.474 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.6 mt-10 -72.33 -50.63 25.43 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 118.792 -1.163 . . . . 15.0 109.631 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.166 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.8 t90 -58.08 -27.74 63.93 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.049 0.928 . . . . 15.0 111.461 -177.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -56.64 -41.36 77.04 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.549 -1.659 . . . . 15.0 109.351 -175.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' SG ' ' A' ' 57' ' ' CYS . . . -134.34 40.4 1.58 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.635 -1.386 . . . . 15.0 109.635 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.255 -0.973 . . . . 15.0 109.679 -172.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.773 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 34.8 pt 42.91 86.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 124.697 1.248 . . . . 15.0 111.24 -169.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.9 p30 166.66 -33.06 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 125.578 2.609 . . . . 15.0 112.061 -172.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -80.01 -38.38 32.19 Favored 'General case' 1 C--N 1.204 -5.732 1 CA-C-N 106.291 -4.958 . . . . 15.0 110.514 -179.431 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.773 ' HE ' ' HA ' ' A' ' 6' ' ' ILE . 12.2 ptp180 -75.3 -48.83 21.37 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.651 -1.159 . . . . 15.0 111.584 -170.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.946 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 3.2 m120 -68.98 -10.05 55.39 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.913 0.885 . . . . 15.0 109.537 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.839 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.2 mt -67.6 -45.31 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.199 -0.91 . . . . 15.0 109.313 168.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.1 m-85 -75.76 -51.22 13.15 Favored 'General case' 0 C--O 1.174 -2.921 0 CA-C-O 116.709 -1.615 . . . . 15.0 112.458 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.146 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.35 0.1 OUTLIER -39.67 -41.68 1.1 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.989 1.268 . . . . 15.0 110.013 162.737 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 13.2 tp10 -65.42 -50.18 66.4 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.615 0.721 . . . . 15.0 109.757 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.6 mt -60.4 -33.13 72.04 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.364 -1.289 . . . . 15.0 108.762 171.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.084 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m-30 -80.33 -24.97 39.54 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 107.018 -1.475 . . . . 15.0 107.018 -168.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' PHE . 19.3 t70 -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.026 170.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 18' ' ' ARG . 6.3 ttm-85 -60.37 -25.23 65.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.815 -1.539 . . . . 15.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.0 3.62 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm 42.72 81.63 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.799 -1.546 . . . . 15.0 111.838 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.877 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -88.65 165.53 14.72 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.923 -1.035 . . . . 15.0 110.563 -177.011 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.44 89.97 6.05 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.673 -1.603 . . . . 15.0 106.673 165.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.983 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.22 -33.7 75.08 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.134 -1.848 . . . . 15.0 110.55 -173.127 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -87.34 14.0 8.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.549 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -104.29 -115.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 15.0 110.819 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -109.41 155.43 21.27 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 108.717 -0.846 . . . . 15.0 108.717 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -68.51 -51.14 46.38 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 113.732 -1.576 . . . . 15.0 109.232 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.913 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.279 4.6 p -81.47 -27.82 34.41 Favored 'General case' 0 N--CA 1.418 -2.061 0 N-CA-C 117.203 2.298 . . . . 15.0 117.203 -172.208 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.0 tp -50.65 -29.24 10.6 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.388 -1.708 . . . . 15.0 106.388 173.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.877 ' HB3' HD12 ' A' ' 21' ' ' LEU . 10.0 mm-40 -81.6 -50.45 9.33 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 112.705 -2.043 . . . . 15.0 110.455 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.913 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 10.1 p -80.18 -39.19 29.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.564 2.431 . . . . 15.0 117.564 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -67.43 -9.58 43.16 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.687 -1.227 . . . . 15.0 107.687 171.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -95.83 -55.14 3.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.825 -1.534 . . . . 15.0 110.707 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.741 HD13 ' HE1' ' A' ' 16' ' ' PHE . 7.7 pt -74.66 -1.1 2.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-O 121.376 0.607 . . . . 15.0 109.822 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.833 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 7.7 tt0 -42.23 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.168 -1.378 . . . . 15.0 113.444 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.36 8.35 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.495 -0.775 . . . . 15.0 113.035 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.646 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 70.4 m-20 -84.36 129.35 58.19 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.548 -0.908 . . . . 15.0 108.548 172.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.92 -15.76 10.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.849 2.366 . . . . 15.0 112.892 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.034 ' HB3' HD13 ' A' ' 15' ' ' LEU . 44.3 m-20 -74.38 -28.98 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.613 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.833 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -57.95 -35.72 71.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.893 0.854 . . . . 15.0 108.786 171.145 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -85.56 8.78 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.769 -1.105 . . . . 15.0 111.935 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 42.6 mmtm -61.34 -38.91 88.63 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 171.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.706 HG12 ' CE1' ' A' ' 12' ' ' PHE . 40.0 mm -107.45 134.13 50.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.82 . . . . 15.0 109.752 176.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -66.69 -33.92 76.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.37 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 43' ' ' ILE . 17.9 t70 -100.91 135.59 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.273 -175.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.6 t70 -84.79 -28.31 26.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.639 -176.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.452 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -77.55 1.74 18.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.102 0.477 . . . . 15.0 111.267 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.531 ' O ' HD13 ' A' ' 52' ' ' LEU . 99.1 t -98.85 -31.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.91 ' HA ' HD22 ' A' ' 52' ' ' LEU . 86.7 mtt180 -58.15 -48.94 78.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.777 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -23.93 40.1 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.475 -1.29 . . . . 15.0 112.404 -178.337 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.6 m -59.7 -12.93 7.97 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.167 -0.613 . . . . 15.0 110.326 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.01 -51.22 9.32 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-O 126.189 2.899 . . . . 15.0 113.941 -171.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.514 ' O ' ' HD2' ' A' ' 23' ' ' LYS 0.539 0.1 OUTLIER -48.51 -45.08 36.67 Favored 'General case' 2 C--N 1.201 -5.864 1 CA-C-N 106.212 -4.995 . . . . 15.0 111.858 175.465 . . . . . . . . 6 4 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -61.98 -50.11 73.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 15.0 110.174 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 31.6 mt-10 -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.036 -177.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.146 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 44.4 t90 -63.68 -27.76 69.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.116 0.96 . . . . 15.0 111.499 178.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 50.2 t -71.69 -50.39 30.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.481 -1.236 . . . . 15.0 110.868 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.36 36.11 3.97 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 109.855 -1.298 . . . . 15.0 109.855 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 56' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.092 -1.054 . . . . 15.0 109.261 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 109.139 -0.689 . . . . 15.0 109.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.635 HG22 ' HD3' ' A' ' 9' ' ' ARG . 32.1 pt 40.01 92.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 113.775 -1.557 . . . . 15.0 114.055 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -175.25 -46.78 0.01 OUTLIER 'General case' 0 CA--C 1.47 -2.1 0 CA-C-O 126.228 2.918 . . . . 15.0 112.135 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.05 -28.83 39.19 Favored 'General case' 1 C--N 1.194 -6.18 1 CA-C-N 105.274 -5.421 . . . . 15.0 110.089 -179.83 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.71 ' HA ' HD22 ' A' ' 52' ' ' LEU . 20.3 ptt180 -56.04 -50.49 70.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.164 -0.925 . . . . 15.0 111.933 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.886 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 50.1 m-80 -64.23 -10.03 20.91 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.858 -174.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.822 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -70.22 -46.81 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 171.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.748 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -71.11 -50.99 27.73 Favored 'General case' 0 C--O 1.172 -2.984 0 CA-C-O 117.123 -1.418 . . . . 15.0 112.558 -172.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.433 0.3 OUTLIER -39.32 -45.0 1.37 Allowed 'General case' 0 N--CA 1.512 2.671 0 C-N-CA 125.705 1.602 . . . . 15.0 110.935 164.533 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -67.11 -46.72 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.361 -0.978 . . . . 15.0 108.361 -178.369 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.5 mt -62.8 -31.33 72.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 15.0 108.928 170.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.043 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.8 m-30 -76.59 -31.56 57.55 Favored 'General case' 0 N--CA 1.395 -3.209 0 N-CA-C 108.835 -0.802 . . . . 15.0 108.835 -169.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.46 -44.1 19.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.703 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.581 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.29 -29.13 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.205 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -108.06 0.11 21.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.086 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 36.3 tptt 54.22 91.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.953 0.883 . . . . 15.0 111.899 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 30' ' ' GLN . 20.0 mt -100.52 -170.76 1.91 Allowed 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.804 -0.634 . . . . 15.0 109.521 171.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.983 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 44.4 m-20 -130.61 96.59 4.15 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.943 -1.026 . . . . 15.0 108.308 166.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.96 -4.56 13.48 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.468 -1.697 . . . . 15.0 112.206 -164.212 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.743 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 41.0 p90 -132.93 7.9 4.05 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.5 t -96.77 -72.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.428 0.633 . . . . 15.0 109.477 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.32 165.24 18.71 Favored 'General case' 0 CA--C 1.456 -2.668 0 N-CA-C 106.63 -1.619 . . . . 15.0 106.63 169.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.131 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.5 t-105 -79.16 -52.12 8.6 Favored 'General case' 0 C--N 1.265 -3.069 0 C-N-CA 117.692 -1.603 . . . . 15.0 109.561 168.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 1.087 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.415 3.1 p -82.29 -24.86 34.47 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 120.249 3.426 . . . . 15.0 120.249 -175.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.7 tp -52.43 -29.23 23.37 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 122.486 2.403 . . . . 15.0 106.436 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.983 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.4 mp0 -81.87 -50.02 9.68 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 112.307 -2.224 . . . . 15.0 110.855 176.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.794 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 14.2 p -77.32 -29.3 53.51 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.895 1.813 . . . . 15.0 115.895 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 1.087 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 9.8 mmpt? -58.94 -9.92 2.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 122.067 0.936 . . . . 15.0 108.529 169.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 54.8 mttm -92.56 -59.14 2.15 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.799 -1.546 . . . . 15.0 108.24 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.686 HD13 ' HE1' ' A' ' 16' ' ' PHE . 2.6 pt -75.47 -9.66 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.206 -1.361 . . . . 15.0 112.34 -169.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.6 pt-20 -66.1 -31.33 72.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.535 0.568 . . . . 15.0 112.535 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -87.88 13.7 10.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.527 0.68 . . . . 15.0 109.935 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -119.63 153.14 54.14 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 114.816 -1.084 . . . . 15.0 108.512 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.45 -6.45 10.29 Favored 'Trans proline' 0 CA--C 1.527 0.166 0 C-N-CA 122.452 2.102 . . . . 15.0 111.335 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.008 ' HB3' HD13 ' A' ' 15' ' ' LEU . 31.3 m-20 -80.01 -30.19 39.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.198 -0.91 . . . . 15.0 112.503 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -33.47 75.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 170.141 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -81.21 6.19 14.73 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.721 -1.127 . . . . 15.0 111.832 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.748 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 72.6 mmtt -63.69 -41.23 98.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.685 HD12 HD11 ' A' ' 52' ' ' LEU . 56.8 mt -108.23 123.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.357 -0.838 . . . . 15.0 108.976 173.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 44' ' ' ARG . 9.0 ptp85 -64.01 -28.81 70.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 15.0 112.268 -174.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -102.45 138.29 39.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.385 0.612 . . . . 15.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 14.8 t70 -83.31 -19.22 36.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.773 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -66.01 -21.62 66.41 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.738 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.743 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 30.6 t -95.8 -30.98 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.593 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 85.3 mtt180 -53.26 -48.09 68.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.131 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.54 -28.37 37.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 118.734 -1.186 . . . . 15.0 112.679 -177.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 m -61.43 -9.96 6.6 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.433 0.635 . . . . 15.0 110.671 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 26.8 mt -74.5 -50.05 19.75 Favored 'General case' 0 CA--C 1.463 -2.379 0 CA-C-O 125.76 2.695 . . . . 15.0 113.642 -175.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.709 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.54 0.0 OUTLIER -78.36 -28.97 47.2 Favored 'General case' 2 C--N 1.199 -5.944 1 CA-C-N 107.241 -4.527 . . . . 15.0 110.16 -161.519 . . . . . . . . 6 4 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.1 mt-10 -62.84 -42.2 99.64 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.267 -1.788 . . . . 15.0 109.706 170.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 68.9 mm-40 -65.33 -50.22 66.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.462 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.5 t90 -71.08 -15.87 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.26 1.029 . . . . 15.0 111.376 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.3 t -63.92 -50.37 68.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.248 -1.342 . . . . 15.0 109.591 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.49 29.7 11.95 Favored Glycine 0 CA--C 1.506 -0.523 0 N-CA-C 110.144 -1.182 . . . . 15.0 110.144 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.01 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.938 0 CA-C-N 114.299 -0.95 . . . . 15.0 109.717 -174.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 pt 34.83 90.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 124.466 1.103 . . . . 15.0 113.452 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -162.39 -53.48 0.04 OUTLIER 'General case' 0 CA--C 1.466 -2.269 0 CA-C-O 126.856 3.217 . . . . 15.0 110.578 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -67.19 -24.92 65.91 Favored 'General case' 1 C--N 1.201 -5.888 1 CA-C-N 104.035 -5.984 . . . . 15.0 110.59 179.326 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.665 ' HD2' ' OE1' ' A' ' 55' ' ' GLU . 15.0 ptt180 -57.86 -50.24 73.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.596 . . . . 15.0 110.853 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.909 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.6 m-80 -64.88 -15.53 62.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.553 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.887 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -63.83 -44.89 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 172.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.5 m-85 -73.6 -51.09 18.05 Favored 'General case' 0 C--O 1.178 -2.68 0 CA-C-O 117.033 -1.461 . . . . 15.0 112.096 -173.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.139 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.62 -43.34 1.32 Allowed 'General case' 0 N--CA 1.508 2.472 0 C-N-CA 124.989 1.315 . . . . 15.0 110.44 162.231 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.0 tm-20 -65.95 -50.2 65.21 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.071 HD13 ' HB2' ' A' ' 39' ' ' ASP . 9.0 mt -58.35 -33.12 69.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 170.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.079 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.8 m-30 -80.07 -25.46 40.05 Favored 'General case' 0 N--CA 1.386 -3.63 0 N-CA-C 107.664 -1.236 . . . . 15.0 107.664 -168.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' PHE . 24.0 t70 -80.61 -45.42 17.33 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.281 169.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 18' ' ' ARG . 17.0 ttm180 -53.24 -30.85 40.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.645 -1.161 . . . . 15.0 111.005 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -103.98 -5.77 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.299 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 52.31 78.96 0.12 Allowed 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 123.908 0.755 . . . . 15.0 110.905 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.984 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -84.5 166.3 17.36 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.962 0.887 . . . . 15.0 110.371 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.613 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 41.6 m-20 -97.13 85.37 3.7 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.645 -1.613 . . . . 15.0 106.645 168.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.985 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.81 -31.14 72.07 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 112.71 -2.041 . . . . 15.0 111.794 -167.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -102.74 5.96 39.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -89.21 -82.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.736 -0.386 . . . . 15.0 110.842 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -136.42 153.57 51.04 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.712 0.768 . . . . 15.0 108.946 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.14 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -67.08 -51.58 52.64 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 113.626 -1.625 . . . . 15.0 109.028 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.842 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.313 4.8 p -81.44 -22.54 38.1 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 117.58 2.437 . . . . 15.0 117.58 -175.085 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 48.7 tp -53.25 -29.01 30.45 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 105.809 -1.922 . . . . 15.0 105.809 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.984 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.1 mm-40 -81.94 -50.71 8.84 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.601 -2.09 . . . . 15.0 112.162 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.842 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 4.9 p -79.51 -30.37 41.87 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.622 1.712 . . . . 15.0 115.622 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -67.93 -10.01 49.8 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.282 -1.377 . . . . 15.0 107.282 171.241 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 30.2 ttpt -104.4 -55.76 2.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 113.302 -1.772 . . . . 15.0 110.867 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.802 HD13 ' HE1' ' A' ' 16' ' ' PHE . 6.9 pt -75.83 -2.79 4.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-O 121.288 0.566 . . . . 15.0 110.203 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.768 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.2 tm-20 -38.18 -77.32 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.51 -1.223 . . . . 15.0 113.87 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -80.75 16.28 1.47 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.983 -0.553 . . . . 15.0 112.248 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.8 m-20 -85.05 140.47 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 173.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.56 -20.03 67.1 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.705 2.27 . . . . 15.0 112.311 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.071 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -80.06 -28.28 39.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.843 -0.617 . . . . 15.0 112.473 -177.679 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.81 -30.89 67.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 171.052 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.42 4.19 32.65 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.068 -0.969 . . . . 15.0 112.041 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.954 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 3.6 mptp? -62.06 -31.57 72.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.36 0.6 . . . . 15.0 109.513 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 52' ' ' LEU . 28.0 mt -113.67 128.25 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.064 173.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.33 -32.11 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.633 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.7 p30 -92.68 155.37 17.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.496 0.665 . . . . 15.0 110.695 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 37.5 t70 -115.74 36.34 4.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.186 -1.37 . . . . 15.0 108.317 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -123.19 -16.43 6.94 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.014 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.713 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 37.5 t -98.77 -25.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.876 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.2 mtt180 -57.3 -50.34 73.24 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.394 0.616 . . . . 15.0 111.704 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.14 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.87 -9.97 59.77 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 113.559 0.948 . . . . 15.0 113.559 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -74.36 -9.67 58.83 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 119.692 -0.803 . . . . 15.0 110.155 164.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 43' ' ' ILE . 63.9 mt -75.39 -49.4 19.11 Favored 'General case' 0 CA--C 1.458 -2.558 0 CA-C-O 125.678 2.656 . . . . 15.0 114.121 -173.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.698 ' HD2' ' O ' ' A' ' 50' ' ' GLU 0.517 0.0 OUTLIER -76.13 -33.29 59.43 Favored 'General case' 2 C--N 1.199 -5.972 1 CA-C-N 108.035 -4.166 . . . . 15.0 110.005 -165.042 . . . . . . . . 6 4 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.51 -46.5 80.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.151 -1.386 . . . . 15.0 109.715 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.665 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 53.5 mt-10 -69.56 -50.2 47.05 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.564 -0.744 . . . . 15.0 111.544 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.139 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 50.6 t90 -66.44 -21.58 66.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.923 0.868 . . . . 15.0 111.288 -178.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 41.2 t -65.59 -50.12 66.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.219 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.21 33.11 6.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 109.968 -1.253 . . . . 15.0 109.968 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.817 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.179 -172.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.9 t0 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 121.4 0.619 . . . . 15.0 109.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' O ' HG13 ' A' ' 6' ' ' ILE . 26.6 pt -73.27 79.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-O 123.908 1.813 . . . . 15.0 110.423 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -169.88 -53.3 0.02 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-O 126.954 3.264 . . . . 15.0 109.136 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 11' ' ' ILE . 56.8 mt-10 -71.73 -32.28 67.59 Favored 'General case' 1 C--N 1.202 -5.81 1 CA-C-N 103.656 -6.156 . . . . 15.0 111.033 -179.116 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.769 ' HA ' HD22 ' A' ' 52' ' ' LEU . 36.7 ptt85 -56.57 -50.57 71.53 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.113 -0.949 . . . . 15.0 110.177 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.918 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 44.2 m-80 -69.59 -17.47 63.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 110.038 -0.356 . . . . 15.0 110.038 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.834 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.3 mt -61.89 -49.76 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 171.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 5.4 m-85 -69.78 -51.36 34.64 Favored 'General case' 0 C--O 1.174 -2.869 0 CA-C-O 116.942 -1.504 . . . . 15.0 112.061 -173.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.112 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.357 0.3 OUTLIER -39.84 -45.09 1.74 Allowed 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 120.235 1.38 . . . . 15.0 110.589 164.35 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 8.6 tp10 -63.43 -50.29 70.37 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.934 0.874 . . . . 15.0 109.325 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -62.3 -31.5 72.11 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.941 -1.481 . . . . 15.0 108.75 173.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.063 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.4 m-30 -79.71 -25.0 41.3 Favored 'General case' 0 N--CA 1.39 -3.429 0 N-CA-C 106.904 -1.517 . . . . 15.0 106.904 -170.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 35.9 t70 -80.53 -44.41 19.14 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.012 172.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -52.78 -31.89 40.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.511 -1.222 . . . . 15.0 111.133 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 12.0 m-30 -104.16 -3.06 24.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 49.17 82.75 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.538 -1.21 . . . . 15.0 109.891 -176.115 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -84.09 163.89 19.56 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 114.208 -1.36 . . . . 15.0 110.295 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.651 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 24.0 m-20 -93.94 86.47 5.06 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.749 -1.574 . . . . 15.0 106.749 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.949 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -61.55 -31.63 71.67 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 112.772 -2.013 . . . . 15.0 111.894 -169.415 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.486 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 49.0 p90 -109.7 11.5 24.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.445 0.535 . . . . 15.0 112.445 -175.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.8 t -83.24 -75.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.12 0.486 . . . . 15.0 110.331 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -146.97 153.96 40.69 Favored 'General case' 0 CA--C 1.466 -2.285 0 N-CA-C 107.882 -1.155 . . . . 15.0 107.882 174.593 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.4 t-105 -66.73 -51.81 51.64 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 113.603 -1.635 . . . . 15.0 109.445 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.873 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.267 3.9 p -81.42 -23.31 37.64 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 117.132 2.271 . . . . 15.0 117.132 -175.182 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.648 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 1.4 tm? -48.02 -34.51 9.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.402 -2.073 . . . . 15.0 105.402 172.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.964 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.76 -50.8 8.84 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.505 -2.134 . . . . 15.0 111.191 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.873 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 37.0 p -79.77 -32.24 40.93 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 116.941 2.2 . . . . 15.0 116.941 -170.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -65.61 -9.71 29.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.176 -1.416 . . . . 15.0 107.176 170.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 33.0 ttpt -106.17 -49.45 3.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.636 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.841 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.4 pt -70.33 -11.54 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.7 0.286 . . . . 15.0 111.528 -175.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 4.4 pt-20 -62.2 -24.21 67.08 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.493 -0.322 . . . . 15.0 111.824 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -80.08 -17.68 52.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.672 0.748 . . . . 15.0 110.066 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.49 164.57 19.57 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.605 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 22.1 Cg_exo -65.91 -6.19 13.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.264 1.976 . . . . 15.0 110.661 168.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.3 t0 -62.12 -50.65 71.05 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 115.081 -0.963 . . . . 15.0 110.71 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.681 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.24 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.235 0.541 . . . . 15.0 110.969 -178.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -82.63 5.01 22.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.566 -0.743 . . . . 15.0 112.415 -171.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 75.1 mmtt -73.68 -34.95 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.415 . . . . 15.0 110.303 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 8' ' ' GLU . 41.7 mt -125.49 124.92 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -69.46 -31.98 70.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 15.0 111.331 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.21 104.59 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.519 0.676 . . . . 15.0 111.175 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 30.7 t70 -66.44 -27.65 67.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.708 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -67.65 -5.44 15.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.479 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.7 t -105.49 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.715 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -54.4 -48.5 71.51 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.458 -0.792 . . . . 15.0 111.931 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.55 -22.96 40.3 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.706 -1.198 . . . . 15.0 113.349 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.7 m -63.8 -9.81 16.72 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.675 -0.81 . . . . 15.0 110.655 168.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD22 ' HA ' ' A' ' 9' ' ' ARG . 31.9 mt -75.88 -50.48 14.94 Favored 'General case' 0 CA--C 1.46 -2.507 0 CA-C-O 125.936 2.779 . . . . 15.0 114.167 -174.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 27' ' ' TRP 0.544 0.0 OUTLIER -71.74 -32.4 67.69 Favored 'General case' 2 C--N 1.197 -6.033 1 CA-C-N 107.217 -4.538 . . . . 15.0 110.038 -165.828 . . . . . . . . 6 4 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.5 mt-10 -57.6 -48.2 80.05 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.881 -1.509 . . . . 15.0 109.834 173.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.656 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 50.2 mt-10 -67.17 -50.35 61.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 15.0 111.204 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.112 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 51.9 t90 -65.98 -21.19 66.4 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.295 1.045 . . . . 15.0 111.334 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 48.3 t -63.75 -50.24 69.85 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.03 -1.441 . . . . 15.0 109.604 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.49 41.5 2.2 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.932 -1.267 . . . . 15.0 109.932 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.9 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.861 -0.669 . . . . 15.0 109.931 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 7' ' ' ASP . 27.6 pt 44.16 91.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 124.415 1.072 . . . . 15.0 111.995 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.52 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER 166.54 -24.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 124.895 2.283 . . . . 15.0 114.09 -176.116 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.61 -28.59 51.55 Favored 'General case' 1 C--N 1.208 -5.552 1 CA-C-N 107.968 -4.196 . . . . 15.0 108.258 174.358 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.722 ' HA ' HD22 ' A' ' 52' ' ' LEU . 12.8 ptm180 -61.55 -50.6 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.072 -1.422 . . . . 15.0 110.95 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.931 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 18.9 m120 -69.7 -10.05 56.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.931 -175.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.881 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.5 mt -66.6 -49.69 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.703 -0.681 . . . . 15.0 109.322 169.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.3 m-85 -72.26 -51.3 21.56 Favored 'General case' 0 C--O 1.179 -2.646 0 CA-C-O 117.164 -1.398 . . . . 15.0 112.345 -171.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.12 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.339 0.2 OUTLIER -39.72 -43.71 1.43 Allowed 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 125.042 1.337 . . . . 15.0 110.666 163.514 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -68.19 -46.19 71.32 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.044 -0.725 . . . . 15.0 109.044 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.121 HD13 ' HB2' ' A' ' 39' ' ' ASP . 8.4 mt -61.62 -32.11 72.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.383 -0.969 . . . . 15.0 108.383 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.069 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.0 m-30 -79.88 -25.93 40.47 Favored 'General case' 0 N--CA 1.39 -3.437 0 N-CA-C 107.52 -1.289 . . . . 15.0 107.52 -169.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.8 t70 -80.34 -48.95 12.19 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.644 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 12.4 ttm180 -58.15 -25.69 61.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.464 -1.244 . . . . 15.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -100.47 -5.91 26.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.874 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' NZ ' ' HB3' ' A' ' 20' ' ' LYS . 9.0 mtpm? 54.23 70.35 0.62 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.091 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.952 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -80.14 165.18 22.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.888 0.851 . . . . 15.0 110.25 -179.115 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.592 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 13.4 m-20 -98.13 90.38 4.85 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 169.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.965 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -65.55 -31.87 73.16 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 113.168 -1.833 . . . . 15.0 111.921 -168.121 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 34.0 p90 -107.89 17.04 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 15.0 111.816 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.535 ' OG ' ' HB3' ' A' ' 22' ' ' ASP . 36.3 m -96.4 -79.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.96 0.41 . . . . 15.0 111.008 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -129.93 161.61 30.49 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-O 122.08 0.943 . . . . 15.0 108.516 174.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.5 t-105 -77.28 -51.64 10.55 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 113.666 -1.607 . . . . 15.0 109.162 167.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.912 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.357 13.2 p -81.72 -35.49 29.69 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 119.689 3.218 . . . . 15.0 119.689 -170.44 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.4 mm? -51.28 -26.11 6.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 120.591 1.541 . . . . 15.0 107.03 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.952 ' HB3' HD12 ' A' ' 21' ' ' LEU . 16.0 mp0 -81.9 -50.08 9.59 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 112.524 -2.125 . . . . 15.0 111.496 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.912 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 2.1 p -75.59 -49.82 17.41 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 116.614 2.079 . . . . 15.0 116.614 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -62.41 -9.49 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.088 -1.078 . . . . 15.0 108.088 171.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -83.52 -54.28 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.112 -1.404 . . . . 15.0 109.309 174.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.827 HD13 ' HE1' ' A' ' 16' ' ' PHE . 10.0 pt -85.27 -10.92 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.704 -0.68 . . . . 15.0 112.716 -171.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.685 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 6.1 pt-20 -61.73 -27.36 68.66 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.822 -0.549 . . . . 15.0 112.463 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.91 14.03 13.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.357 0.599 . . . . 15.0 109.918 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 6.5 m-20 -118.98 157.49 50.38 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.445 -0.798 . . . . 15.0 110.117 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.52 -1.46 9.79 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.296 1.997 . . . . 15.0 112.058 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.121 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.1 p-10 -80.17 -48.34 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.11 -0.496 . . . . 15.0 110.813 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -55.79 -33.68 64.6 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.329 0.585 . . . . 15.0 110.158 175.269 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -74.13 -1.42 20.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.326 -0.852 . . . . 15.0 112.425 -176.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.657 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 37.5 mmtm -70.02 -24.0 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 15.0 110.796 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 52' ' ' LEU . 38.3 mt -124.15 130.64 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.071 -0.715 . . . . 15.0 109.071 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.07 -57.91 9.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.654 0.74 . . . . 15.0 110.388 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.8 139.3 43.18 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.335 -1.302 . . . . 15.0 111.682 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.5 t70 -90.21 -17.24 27.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.876 -1.056 . . . . 15.0 110.214 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -64.93 -20.6 66.55 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.906 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.9 t -100.79 -20.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.491 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.764 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 94.9 mtt180 -61.83 -49.68 75.33 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.96 0.41 . . . . 15.0 111.317 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.67 -13.56 58.91 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.466 -0.771 . . . . 15.0 112.775 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -70.7 -9.75 57.88 Favored 'General case' 0 C--N 1.285 -2.212 0 C-N-CA 120.118 -0.633 . . . . 15.0 110.478 164.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.764 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.0 mt -77.28 -50.33 13.09 Favored 'General case' 0 CA--C 1.459 -2.555 0 CA-C-O 125.931 2.777 . . . . 15.0 114.041 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.603 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.543 0.0 OUTLIER -70.62 -34.8 72.5 Favored 'General case' 2 C--N 1.202 -5.839 1 CA-C-N 106.871 -4.695 . . . . 15.0 110.09 -166.872 . . . . . . . . 6 4 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.1 mt-10 -55.5 -48.52 74.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.229 -1.35 . . . . 15.0 109.599 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 12.9 mm-40 -69.97 -50.42 41.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.938 -1.028 . . . . 15.0 111.994 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.12 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 39.2 t90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.102 0.953 . . . . 15.0 111.145 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.1 t -59.73 -50.15 74.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.823 -1.535 . . . . 15.0 109.794 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.49 38.85 3.0 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.697 -1.361 . . . . 15.0 109.697 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.968 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 6.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.697 -0.752 . . . . 15.0 110.309 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.494 HG22 ' HD3' ' A' ' 9' ' ' ARG . 42.8 pt 39.04 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 113.877 -1.511 . . . . 15.0 114.5 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 t70 179.58 -48.42 0.01 OUTLIER 'General case' 0 CA--C 1.469 -2.148 0 CA-C-O 126.562 3.077 . . . . 15.0 111.258 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.96 -35.06 38.16 Favored 'General case' 1 C--N 1.197 -6.06 1 CA-C-N 104.552 -5.749 . . . . 15.0 110.26 -176.743 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.679 ' HA ' HD22 ' A' ' 52' ' ' LEU . 8.0 ptm180 -56.01 -50.6 70.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.905 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.954 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 35.1 m-80 -65.98 -15.62 63.17 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.611 -173.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.872 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.3 mt -63.59 -50.1 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 109.284 -0.636 . . . . 15.0 109.284 171.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.76 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -70.03 -50.82 37.47 Favored 'General case' 0 C--O 1.176 -2.795 0 CA-C-O 117.213 -1.375 . . . . 15.0 112.644 -170.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.41 0.4 OUTLIER -39.64 -47.85 2.04 Favored 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 125.542 1.537 . . . . 15.0 110.736 165.369 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.48 -43.72 89.35 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.558 -0.534 . . . . 15.0 109.558 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.2 mt -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.538 -0.912 . . . . 15.0 108.538 171.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.023 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.9 m-30 -75.21 -33.82 61.42 Favored 'General case' 0 N--CA 1.399 -3.023 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.137 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.44 -39.1 28.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.775 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 18' ' ' ARG . 32.5 ttt180 -62.65 -27.34 69.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.574 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.86 11.88 29.54 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.356 -0.979 . . . . 15.0 108.356 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 pttt 29.05 83.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 113.845 -1.525 . . . . 15.0 113.473 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.935 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.2 mt -83.99 -170.89 3.31 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.94 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 1.024 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 11.5 m-20 -124.98 93.31 3.85 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.029 -0.987 . . . . 15.0 108.406 165.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.905 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.57 -16.55 61.15 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 113.486 -1.688 . . . . 15.0 110.363 -170.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.79 -46.38 6.6 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.997 -1.001 . . . . 15.0 111.673 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.2 t -60.23 -79.78 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.957 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.34 165.67 14.0 Favored 'General case' 0 CA--C 1.459 -2.549 0 N-CA-C 107.643 -1.243 . . . . 15.0 107.643 175.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.2 t-105 -79.69 -52.02 8.48 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 113.7 -1.591 . . . . 15.0 109.682 167.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.844 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 9.0 p -81.89 -32.92 30.74 Favored 'General case' 0 N--CA 1.418 -2.025 0 N-CA-C 119.422 3.119 . . . . 15.0 119.422 -172.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 12.8 tp -49.7 -29.75 8.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.446 -1.687 . . . . 15.0 106.446 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 1.024 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.8 mp0 -81.96 -49.99 9.65 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.418 -2.174 . . . . 15.0 110.399 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.844 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 62.8 p -80.07 -48.24 13.58 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 117.048 2.24 . . . . 15.0 117.048 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 28' ' ' SER . 6.0 ptpp? -60.96 -9.58 4.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.891 0.769 . . . . 15.0 109.834 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -98.37 -29.39 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.123 178.135 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 30' ' ' GLN . 1.6 pt -85.82 -6.42 10.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 N-CA-C 108.967 -0.753 . . . . 15.0 108.967 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.987 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.5 tm-20 -45.28 -79.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.014 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -48.43 -25.07 1.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.114 -0.948 . . . . 15.0 113.018 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 68.5 m-20 -69.48 139.82 89.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.776 -0.453 . . . . 15.0 109.776 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 -8.67 8.12 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.629 2.219 . . . . 15.0 112.123 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.007 ' HB3' HD13 ' A' ' 15' ' ' LEU . 29.6 m-20 -76.06 -32.39 59.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.516 -0.765 . . . . 15.0 111.534 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.987 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -65.76 -32.95 74.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 172.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -89.34 17.36 6.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.313 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.76 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.0 mmtt -73.04 -28.03 62.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 173.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 52' ' ' LEU . 54.0 mt -117.29 136.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.36 -0.837 . . . . 15.0 109.722 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.36 -51.95 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 15.0 111.65 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.9 p-10 -88.58 150.5 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.665 0.745 . . . . 15.0 111.422 -174.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.608 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 27.0 t70 -107.34 27.1 9.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.546 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -114.65 -16.42 11.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.007 0.908 . . . . 15.0 110.481 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.8 t -95.04 -30.21 4.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.705 -1.134 . . . . 15.0 109.837 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.7 mtt180 -54.74 -47.78 73.4 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.913 -0.585 . . . . 15.0 112.146 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.42 -25.49 38.97 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.438 -0.905 . . . . 15.0 112.35 -177.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 16.0 m -64.7 -9.77 22.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.422 0.629 . . . . 15.0 110.178 169.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 17.4 mt -74.46 -50.26 19.04 Favored 'General case' 0 CA--C 1.459 -2.532 0 CA-C-O 125.698 2.666 . . . . 15.0 113.798 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.541 0.0 OUTLIER -77.54 -30.69 52.87 Favored 'General case' 2 C--N 1.199 -5.963 1 CA-C-N 107.313 -4.494 . . . . 15.0 110.41 -163.005 . . . . . . . . 6 4 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.3 mt-10 -63.89 -40.64 96.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.723 -1.581 . . . . 15.0 109.808 169.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.628 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 12.8 mm-40 -67.66 -49.96 60.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.371 -0.832 . . . . 15.0 110.982 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 26.2 t90 -68.96 -16.62 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.355 1.074 . . . . 15.0 111.354 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 52.4 t -62.53 -50.03 72.97 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.679 -1.6 . . . . 15.0 109.036 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.81 41.32 2.26 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.066 -1.213 . . . . 15.0 110.066 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.045 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.591 -0.805 . . . . 15.0 110.323 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.222 -1.029 . . . . 15.0 108.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 pt 40.87 88.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 114.255 -1.339 . . . . 15.0 111.65 -168.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -170.78 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.477 -1.859 0 CA-C-O 125.682 2.658 . . . . 15.0 113.654 -172.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.573 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -71.05 -24.13 62.28 Favored 'General case' 1 C--N 1.198 -6.0 1 CA-C-N 106.298 -4.955 . . . . 15.0 109.395 176.741 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 52' ' ' LEU . 31.5 ptt85 -61.29 -50.3 73.56 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.884 -1.053 . . . . 15.0 111.43 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.967 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 46.6 m-80 -66.81 -10.4 47.33 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.898 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.835 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -65.98 -45.97 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 170.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.0 m-85 -75.06 -50.77 15.36 Favored 'General case' 0 C--O 1.174 -2.919 0 CA-C-O 117.229 -1.367 . . . . 15.0 113.055 -171.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.115 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.356 0.1 OUTLIER -39.76 -44.61 1.6 Allowed 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 124.772 1.229 . . . . 15.0 110.204 163.151 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -64.68 -48.17 75.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.453 -0.573 . . . . 15.0 109.453 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.035 HD13 ' HB2' ' A' ' 39' ' ' ASP . 7.5 mt -61.73 -32.57 72.81 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.687 -0.857 . . . . 15.0 108.687 171.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.066 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.8 m-30 -77.73 -26.07 49.74 Favored 'General case' 0 N--CA 1.393 -3.281 0 N-CA-C 108.408 -0.96 . . . . 15.0 108.408 -167.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.42 -44.57 19.1 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.12 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.06 -30.63 62.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.131 -0.94 . . . . 15.0 110.494 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.541 ' HD2' HG22 ' A' ' 34' ' ' ILE . 13.1 m-30 -101.29 3.05 40.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.84 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 50.69 59.93 4.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.756 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' A' ' 30' ' ' GLN . 56.7 mt -81.28 146.68 30.29 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 122.734 1.254 . . . . 15.0 111.252 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.3 m-20 -77.31 91.04 3.78 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 112.386 -2.188 . . . . 15.0 106.355 169.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.999 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -66.14 -23.92 66.57 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.241 -171.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -99.79 -12.0 20.31 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.739 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -83.45 -84.05 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 15.0 111.799 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -124.99 163.96 21.18 Favored 'General case' 0 CA--C 1.466 -2.286 0 CA-C-O 122.21 1.005 . . . . 15.0 109.074 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.104 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.2 t-105 -78.51 -52.28 8.74 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 113.516 -1.674 . . . . 15.0 109.792 168.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.874 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.337 6.1 p -81.67 -34.58 30.65 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 118.937 2.939 . . . . 15.0 118.937 -171.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -49.86 -28.44 6.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.28 -1.748 . . . . 15.0 106.28 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 1.004 ' HB3' HD13 ' A' ' 21' ' ' LEU . 12.9 mp0 -81.86 -50.21 9.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 112.771 -2.013 . . . . 15.0 110.213 173.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.874 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 29.2 p -80.26 -34.76 36.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.469 2.396 . . . . 15.0 117.469 -176.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.3 ptmm? -67.39 -9.55 42.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.433 -1.321 . . . . 15.0 107.433 170.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 24.3 ttmm -95.7 -49.08 5.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.501 -1.681 . . . . 15.0 110.158 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 30' ' ' GLN . 2.7 pt -81.97 -5.83 9.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 121.262 0.553 . . . . 15.0 110.625 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 27.5 tt0 -44.67 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.181 1.178 . . . . 15.0 114.181 -174.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.53 -14.17 4.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.77 -1.105 . . . . 15.0 113.185 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.95 158.89 85.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 15.0 111.064 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.66 -8.91 23.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.813 2.342 . . . . 15.0 112.611 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.035 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.3 p-10 -79.96 -42.53 23.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.658 -0.246 . . . . 15.0 110.504 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.843 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -49.08 -40.07 30.34 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.494 0.664 . . . . 15.0 110.47 174.407 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -84.31 18.2 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.677 . . . . 15.0 112.41 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 67.7 mmtt -81.86 -30.1 32.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 15.0 111.398 177.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.853 HG12 ' CE1' ' A' ' 12' ' ' PHE . 28.9 mm -97.84 137.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.821 -0.352 . . . . 15.0 110.504 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.658 ' HD3' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -60.28 -22.71 63.45 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.855 -0.611 . . . . 15.0 112.011 -177.418 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.78 ' H ' HG22 ' A' ' 43' ' ' ILE . 27.9 m-20 -127.03 134.94 50.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.671 0.272 . . . . 15.0 110.99 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 32.1 t70 -68.72 -26.63 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.977 -0.749 . . . . 15.0 108.977 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -67.66 -9.27 41.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.008 -0.996 . . . . 15.0 111.518 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' HG21 ' A' ' 43' ' ' ILE . 53.5 t -106.59 -23.48 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.791 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.7 mtt180 -58.88 -50.15 75.09 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.002 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.104 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -22.39 41.36 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 119.035 -1.066 . . . . 15.0 112.122 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.4 m -60.55 -15.79 31.1 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.011 -0.676 . . . . 15.0 110.336 165.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.791 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.26 -51.44 8.92 Favored 'General case' 0 CA--C 1.461 -2.451 0 CA-C-O 125.492 2.568 . . . . 15.0 113.746 -171.535 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' HD1' ' HG2' ' A' ' 54' ' ' GLU 0.519 0.1 OUTLIER -40.29 -44.84 1.99 Allowed 'General case' 2 C--N 1.209 -5.535 1 CA-C-N 106.793 -4.73 . . . . 15.0 112.079 171.535 . . . . . . . . 6 4 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.575 ' HG2' ' HD1' ' A' ' 53' ' ' PHE . 2.9 mt-10 -62.93 -49.86 73.09 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.514 -0.767 . . . . 15.0 110.588 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB3' HH11 ' A' ' 9' ' ' ARG . 5.7 mm-40 -60.76 -50.37 73.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.123 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.115 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 37.7 t90 -63.29 -30.43 71.57 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.579 1.18 . . . . 15.0 111.3 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 46.5 t -60.25 -49.1 78.96 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.098 -1.865 . . . . 15.0 109.415 -177.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.76 36.95 3.96 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.327 -1.109 . . . . 15.0 110.327 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.771 -0.714 . . . . 15.0 109.933 -173.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 109.358 -0.608 . . . . 15.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.833 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 32.5 pt 23.45 91.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 124.776 1.297 . . . . 15.0 114.143 -174.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.58 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.0 t70 -168.16 -59.74 0.02 OUTLIER 'General case' 0 CA--C 1.462 -2.428 0 CA-C-O 126.666 3.127 . . . . 15.0 110.477 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.95 -40.33 96.19 Favored 'General case' 1 C--N 1.196 -6.093 1 CA-C-N 103.732 -6.122 . . . . 15.0 110.578 -178.772 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.833 ' HE ' ' HA ' ' A' ' 6' ' ' ILE . 11.4 ptp180 -66.37 -47.85 72.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.061 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.948 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 7.9 m120 -66.69 -17.41 64.84 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 123.448 0.699 . . . . 15.0 109.622 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.889 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 40.3 mm -61.92 -44.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.924 169.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.4 m-85 -72.52 -51.11 21.35 Favored 'General case' 0 C--O 1.175 -2.862 0 CA-C-O 117.028 -1.463 . . . . 15.0 111.976 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.105 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.39 0.2 OUTLIER -39.55 -43.64 1.32 Allowed 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 125.193 1.397 . . . . 15.0 110.256 163.493 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.683 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 9.9 tp10 -62.94 -50.49 70.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.244 1.021 . . . . 15.0 109.859 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.028 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.3 mt -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 113.469 -1.696 . . . . 15.0 108.775 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.7 m-30 -80.1 -24.55 40.48 Favored 'General case' 0 N--CA 1.387 -3.575 0 N-CA-C 107.2 -1.407 . . . . 15.0 107.2 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 13' ' ' PHE . 32.1 t70 -80.44 -45.53 17.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.25 -0.886 . . . . 15.0 109.876 170.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm180 -50.17 -34.52 22.76 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.911 -1.495 . . . . 15.0 111.506 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -113.52 8.01 17.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.777 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 50.43 74.51 0.22 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 114.858 -1.065 . . . . 15.0 111.742 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.915 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -82.68 167.8 17.87 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.622 0.725 . . . . 15.0 110.806 -177.392 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.46 96.61 8.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.553 -1.647 . . . . 15.0 106.553 163.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.937 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.67 -26.38 66.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.704 -1.589 . . . . 15.0 111.156 -171.395 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.16 -49.26 7.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 15.0 112.007 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -45.87 -79.61 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -168.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.77 155.02 45.62 Favored 'General case' 0 CA--C 1.467 -2.214 0 CA-C-O 121.949 0.881 . . . . 15.0 109.485 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.0 t-105 -69.77 -51.67 31.9 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 113.449 -1.705 . . . . 15.0 109.421 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.871 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 2.9 p -81.32 -25.18 36.64 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 117.768 2.507 . . . . 15.0 117.768 -173.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.626 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.4 OUTLIER -46.84 -35.18 6.04 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 105.348 -2.093 . . . . 15.0 105.348 171.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.915 ' HB3' HD12 ' A' ' 21' ' ' LEU . 7.6 mm-40 -81.63 -50.63 9.1 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.857 -1.974 . . . . 15.0 111.568 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.871 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 5.5 p -73.83 -44.07 56.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.628 2.084 . . . . 15.0 116.628 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.722 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.63 -9.8 15.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.262 0.937 . . . . 15.0 109.051 178.573 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 20.3 ptmt -107.71 -42.76 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.292 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.725 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.1 pt -76.48 -12.52 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.297 -177.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.9 pt-20 -62.04 -27.29 68.78 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.823 0.344 . . . . 15.0 111.826 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -81.22 -2.39 48.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.281 0.562 . . . . 15.0 110.393 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -101.34 143.39 26.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.5 -0.926 . . . . 15.0 108.5 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.61 -3.9 10.01 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.387 2.058 . . . . 15.0 111.223 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.119 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 39.9 m-20 -79.59 -29.66 41.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.813 -1.085 . . . . 15.0 111.275 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -65.4 -34.42 78.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 171.39 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -84.71 9.78 13.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.812 -1.085 . . . . 15.0 110.844 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.119 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mptt -63.09 -32.32 73.66 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.179 0.514 . . . . 15.0 109.764 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.503 HD12 HD11 ' A' ' 52' ' ' LEU . 69.3 mt -117.49 138.15 49.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.318 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -68.29 -39.03 82.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.436 -0.347 . . . . 15.0 111.887 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.73 125.83 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.375 0.607 . . . . 15.0 112.015 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 23.0 t70 -78.05 -26.05 48.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.307 -0.86 . . . . 15.0 110.247 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -63.9 -10.79 22.79 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.483 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.4 t -105.93 -25.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.482 177.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.5 mtt180 -58.05 -43.92 87.15 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.666 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.73 -20.92 41.73 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 113.994 1.109 . . . . 15.0 113.994 -179.241 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -65.2 -9.82 26.6 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.812 -0.755 . . . . 15.0 111.116 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 16.8 mt -73.9 -50.41 20.32 Favored 'General case' 0 CA--C 1.457 -2.601 0 CA-C-O 125.775 2.702 . . . . 15.0 114.273 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 57' ' ' CYS 0.541 0.0 OUTLIER -72.61 -31.84 65.48 Favored 'General case' 2 C--N 1.199 -5.978 1 CA-C-N 107.344 -4.48 . . . . 15.0 110.072 -165.635 . . . . . . . . 6 4 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 2.3 mt-10 -57.09 -47.66 80.49 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.836 -1.529 . . . . 15.0 109.905 173.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.635 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 36.2 mt-10 -68.71 -50.3 51.93 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.282 -176.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.105 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 48.4 t90 -63.93 -24.29 67.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.183 0.992 . . . . 15.0 111.438 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.0 t -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.654 -1.612 . . . . 15.0 109.743 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.01 43.61 1.68 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 109.874 -1.29 . . . . 15.0 109.874 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.847 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.452 -0.785 . . . . 15.0 110.082 -174.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 122.284 1.04 . . . . 15.0 111.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.0 mm 64.32 33.16 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.56 0 CA-C-O 125.802 2.715 . . . . 15.0 110.814 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.19 2.57 1.15 Allowed 'General case' 0 C--N 1.247 -3.86 1 CA-C-N 107.265 -4.516 . . . . 15.0 115.572 169.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.706 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.49 -37.25 28.22 Favored 'General case' 1 C--N 1.241 -4.123 0 CA-C-N 110.797 -2.911 . . . . 15.0 107.772 174.56 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.645 ' HA ' HD22 ' A' ' 52' ' ' LEU . 34.1 ptt85 -66.47 -50.3 63.76 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.286 -2.234 . . . . 15.0 112.112 -168.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.898 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 15.9 m120 -65.3 -13.04 57.53 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.485 -173.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.836 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.4 mt -66.47 -50.06 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.817 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.4 m-85 -69.15 -50.61 46.31 Favored 'General case' 0 C--O 1.17 -3.12 0 CA-C-O 117.187 -1.387 . . . . 15.0 112.732 -170.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.118 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.447 0.7 OUTLIER -39.47 -44.77 1.44 Allowed 'General case' 0 N--CA 1.512 2.652 0 C-N-CA 125.738 1.615 . . . . 15.0 111.085 165.985 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.94 -45.23 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.291 -1.003 . . . . 15.0 108.291 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.902 HD13 ' HB3' ' A' ' 39' ' ' ASP . 5.6 mt -64.93 -30.62 71.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.121 171.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.049 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.2 m-30 -75.54 -30.08 59.62 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 -170.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -80.49 -41.89 23.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.48 169.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 18' ' ' ARG . 14.1 ttm180 -55.69 -27.72 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.235 -0.893 . . . . 15.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 15' ' ' LEU . 79.3 m-85 -114.15 9.52 17.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.116 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 44.71 77.96 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.937 -1.029 . . . . 15.0 112.906 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD13 ' HB3' ' A' ' 30' ' ' GLN . 17.4 mt -87.17 -168.78 2.36 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.89 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.916 ' H ' ' CG ' ' A' ' 30' ' ' GLN . 15.8 m-20 -130.8 107.19 8.96 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.031 -1.47 . . . . 15.0 107.031 168.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -82.31 -6.74 59.45 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 114.119 -1.4 . . . . 15.0 110.141 -162.575 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 66.6 t80 -127.85 -28.81 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.245 -1.343 . . . . 15.0 110.841 -173.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 19.7 m -60.25 -74.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.573 -0.74 . . . . 15.0 111.61 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.16 164.71 27.06 Favored 'General case' 0 CA--C 1.461 -2.451 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 174.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.7 t-105 -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.097 -1.41 . . . . 15.0 110.312 168.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.835 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.316 2.0 p -81.49 -26.89 34.83 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 118.952 2.945 . . . . 15.0 118.952 -170.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.4 tt -52.05 -30.34 25.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 121.655 2.025 . . . . 15.0 106.073 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.916 ' CG ' ' H ' ' A' ' 22' ' ' ASP . 3.8 mp0 -81.77 -47.3 13.05 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 112.111 -2.313 . . . . 15.0 109.564 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.015 ' HA ' HD11 ' A' ' 34' ' ' ILE 0.253 60.4 p -80.28 -23.98 40.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 118.597 2.814 . . . . 15.0 118.597 -179.135 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HG2' ' O ' ' A' ' 28' ' ' SER . 22.0 ptmt -76.8 -9.98 59.06 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.082 -1.451 . . . . 15.0 107.082 168.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.4 ttmp? -88.61 -70.75 0.63 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.508 -1.678 . . . . 15.0 112.228 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.015 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -57.85 -27.96 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 113.808 1.04 . . . . 15.0 113.808 -177.108 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.875 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tm-20 -28.54 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.044 1.338 . . . . 15.0 114.31 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -61.74 29.32 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.381 1.252 . . . . 15.0 114.381 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' GLU . 19.7 m-20 -123.4 142.22 38.21 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' O ' ' HE3' ' A' ' 42' ' ' LYS . 50.3 Cg_exo -55.31 -24.05 40.66 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.064 2.51 . . . . 15.0 112.871 -176.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.902 ' HB3' HD13 ' A' ' 15' ' ' LEU . 17.1 m-20 -71.51 -43.37 66.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.565 -175.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.875 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 82.3 t80 -73.22 -10.08 59.39 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.718 -0.614 . . . . 15.0 109.899 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.25 1.28 57.31 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.628 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.817 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 8.0 mmpt? -54.61 -53.72 50.97 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.111 0.481 . . . . 15.0 110.523 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 8' ' ' GLU . 44.8 mm -91.02 130.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.259 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -59.32 -51.38 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.805 . . . . 15.0 111.413 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -83.06 123.25 29.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.271 0.558 . . . . 15.0 111.235 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.7 t70 -76.26 -29.01 57.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.398 -0.819 . . . . 15.0 110.584 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 10.7 t -73.24 2.02 8.21 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.249 0.547 . . . . 15.0 111.144 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.0 t -106.73 -28.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 96.0 mtt180 -57.3 -42.81 82.48 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 115.195 -0.911 . . . . 15.0 111.642 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.51 -31.77 37.06 Favored 'General case' 0 N--CA 1.432 -1.367 0 C-N-CA 119.171 -1.012 . . . . 15.0 112.791 -176.238 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.3 m -63.7 -9.78 15.88 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.341 0.591 . . . . 15.0 110.157 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 25.3 mt -70.6 -50.17 39.99 Favored 'General case' 0 CA--C 1.464 -2.341 0 CA-C-O 125.39 2.519 . . . . 15.0 113.961 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.75 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.533 0.0 OUTLIER -79.87 -28.76 39.94 Favored 'General case' 2 C--N 1.204 -5.723 1 CA-C-N 107.955 -4.202 . . . . 15.0 110.624 -158.567 . . . . . . . . 6 4 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.609 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 1.6 mt-10 -60.76 -36.8 79.86 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 112.935 -1.939 . . . . 15.0 109.919 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.65 -50.17 39.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.289 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.118 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 23.5 t90 -69.62 -14.42 62.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.596 1.188 . . . . 15.0 111.223 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 24' ' ' PHE . 14.2 t -62.85 -50.24 71.71 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 113.782 -1.554 . . . . 15.0 110.124 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.3 26.85 21.57 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.025 -1.23 . . . . 15.0 110.025 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.048 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.1 tp10 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.225 -0.988 . . . . 15.0 110.058 -173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.225 -0.192 0 CA-C-O 121.605 0.717 . . . . 15.0 110.222 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG22 ' HD3' ' A' ' 9' ' ' ARG . 40.3 pt 43.0 93.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 114.514 -1.221 . . . . 15.0 113.699 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -173.72 -52.46 0.01 OUTLIER 'General case' 0 CA--C 1.47 -2.118 0 CA-C-O 126.911 3.243 . . . . 15.0 110.189 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.564 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.79 -30.71 40.68 Favored 'General case' 1 C--N 1.197 -6.033 1 CA-C-N 103.694 -6.139 . . . . 15.0 111.05 -176.562 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 52' ' ' LEU . 18.1 ptt180 -57.23 -50.34 73.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.513 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.93 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 43.1 m-80 -62.72 -19.72 64.2 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.943 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.844 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.0 mt -58.98 -49.44 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.794 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 3.7 m-85 -70.38 -51.02 32.8 Favored 'General case' 0 C--O 1.17 -3.112 0 CA-C-O 116.621 -1.657 . . . . 15.0 112.385 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.14 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.368 0.3 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 N--CA 1.511 2.584 0 C-N-CA 125.423 1.489 . . . . 15.0 110.631 165.239 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.38 -43.26 86.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.044 -0.354 . . . . 15.0 110.044 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.056 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.7 mt -64.71 -31.61 72.91 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 170.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.5 m-30 -75.91 -29.86 58.55 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 108.453 -0.943 . . . . 15.0 108.453 -169.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.23 -46.12 16.81 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.995 -1.002 . . . . 15.0 110.803 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.92 -28.91 62.58 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.927 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -111.09 11.56 21.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.08 -0.711 . . . . 15.0 109.08 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.6 mptp? 48.28 84.51 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 114.564 -1.198 . . . . 15.0 112.972 175.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.946 HD13 ' HB3' ' A' ' 30' ' ' GLN . 48.5 mt -97.45 147.85 23.8 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 122.487 1.137 . . . . 15.0 111.36 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 5.2 m-20 -87.06 81.99 7.88 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 112.669 -2.06 . . . . 15.0 105.818 168.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.967 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -53.65 -19.81 4.49 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.39 -2.187 . . . . 15.0 112.985 -163.778 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -108.47 -3.71 17.91 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 t -79.4 -76.56 0.2 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.861 0.362 . . . . 15.0 111.206 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -136.07 161.9 34.42 Favored 'General case' 0 CA--C 1.456 -2.67 0 N-CA-C 107.798 -1.186 . . . . 15.0 107.798 174.055 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.15 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 5.4 t-105 -67.53 -52.9 33.42 Favored 'General case' 0 C--N 1.269 -2.923 0 C-N-CA 117.096 -1.842 . . . . 15.0 109.957 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.865 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.448 2.7 p -82.86 -30.62 28.48 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 120.556 3.539 . . . . 15.0 120.556 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.6 OUTLIER -48.02 -34.05 8.85 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 105.524 -2.028 . . . . 15.0 105.524 177.488 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.946 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -82.28 -50.75 8.61 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 112.783 -2.008 . . . . 15.0 111.704 173.447 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.725 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 95.1 p -74.1 -14.65 61.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.327 1.603 . . . . 15.0 115.327 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.865 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 11.0 mmmm -65.56 -9.54 27.36 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 166.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 8.7 mtpm? -102.55 -9.88 19.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.312 -171.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.688 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -113.49 -27.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.706 -1.134 . . . . 15.0 109.093 173.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.705 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 23.3 tt0 -27.68 -83.78 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.966 1.307 . . . . 15.0 114.471 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 15.0 112.154 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 1.9 m-20 -93.89 141.92 24.37 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.955 -0.757 . . . . 15.0 108.955 174.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.68 -25.72 35.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.96 2.44 . . . . 15.0 113.053 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.056 ' HB3' HD13 ' A' ' 15' ' ' LEU . 16.5 m-20 -80.04 -25.57 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.496 0.554 . . . . 15.0 112.496 -174.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.705 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 48.2 t80 -71.27 -23.0 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -88.52 7.95 30.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.215 -0.902 . . . . 15.0 110.827 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 32.1 mmtp -66.67 -28.54 68.54 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.422 -0.585 . . . . 15.0 109.422 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 12' ' ' PHE . 37.6 mm -110.67 126.88 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.514 -0.767 . . . . 15.0 109.792 175.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.3 -59.69 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.966 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.8 m-20 -80.29 116.44 20.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.471 -0.786 . . . . 15.0 111.22 -174.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 24.3 t70 -63.21 -29.88 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.454 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -2.46 17.57 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.305 0.574 . . . . 15.0 110.878 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 58.0 t -104.99 -24.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 15.0 109.792 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -64.07 -48.21 77.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.35 0.595 . . . . 15.0 111.003 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.15 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.75 -9.86 59.77 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.273 1.035 . . . . 15.0 113.28 178.017 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.707 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 21.4 m -74.06 -9.42 58.61 Favored 'General case' 0 C--N 1.277 -2.566 0 O-C-N 121.709 -0.619 . . . . 15.0 110.076 161.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 9' ' ' ARG . 47.2 mt -77.54 -50.07 13.37 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-O 125.191 2.424 . . . . 15.0 113.847 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.7 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.52 0.0 OUTLIER -79.91 -32.87 40.21 Favored 'General case' 2 C--N 1.204 -5.747 0 CA-C-N 108.666 -3.879 . . . . 15.0 109.4 -162.311 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.707 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 4.1 pt-20 -59.13 -33.85 71.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 112.729 -2.032 . . . . 15.0 110.597 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 26.9 mt-10 -80.34 -50.46 10.12 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 111.932 0.345 . . . . 15.0 111.932 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.14 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 30.7 t90 -62.72 -19.92 64.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.068 0.937 . . . . 15.0 111.404 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.4 t -62.98 -49.99 72.51 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.129 -1.396 . . . . 15.0 110.171 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.43 45.78 1.27 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.817 -1.313 . . . . 15.0 109.817 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.918 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.592 -0.718 . . . . 15.0 109.903 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 CA--C 1.5 -0.964 0 CA-C-O 122.108 0.956 . . . . 15.0 108.726 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.593 HG22 ' HD3' ' A' ' 9' ' ' ARG . 27.3 pt 28.72 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 112.288 -2.233 . . . . 15.0 114.236 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -168.35 -51.9 0.02 OUTLIER 'General case' 0 CA--C 1.466 -2.271 0 CA-C-O 126.491 3.043 . . . . 15.0 111.492 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.485 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -74.83 -25.24 58.86 Favored 'General case' 1 C--N 1.197 -6.041 1 CA-C-N 104.6 -5.727 . . . . 15.0 109.26 -178.939 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.9 ptt180 -54.01 -50.41 66.68 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.74 -1.118 . . . . 15.0 110.567 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.937 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 36.7 m-80 -62.57 -20.53 64.79 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.093 -175.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.853 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.0 mm -61.3 -44.18 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 174.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.765 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -77.09 -50.76 12.32 Favored 'General case' 0 C--O 1.172 -3.022 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.835 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.097 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.374 0.2 OUTLIER -39.17 -44.33 1.19 Allowed 'General case' 0 N--CA 1.511 2.616 0 CA-C-N 120.404 1.456 . . . . 15.0 110.117 164.639 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 1.1 tm-20 -64.71 -48.12 75.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.174 -0.676 . . . . 15.0 109.174 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.853 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.6 mt -63.78 -31.04 72.08 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.39 171.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.031 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.1 m-30 -77.49 -26.36 51.2 Favored 'General case' 0 N--CA 1.398 -3.038 0 N-CA-C 107.809 -1.182 . . . . 15.0 107.809 -168.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.23 -45.9 17.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.813 -1.085 . . . . 15.0 110.11 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 18' ' ' ARG . 41.3 ttp180 -62.6 -21.88 65.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.739 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.82 7.34 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.731 -0.47 . . . . 15.0 109.731 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 45.54 67.53 0.72 Allowed 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.722 -1.126 . . . . 15.0 112.571 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.932 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.4 mt -81.87 144.41 31.02 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 122.296 1.046 . . . . 15.0 111.162 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -82.91 86.37 6.96 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 113.007 -1.906 . . . . 15.0 106.36 170.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -59.08 -27.77 65.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.084 -1.871 . . . . 15.0 111.854 -165.651 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -96.48 -14.97 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.621 0.6 . . . . 15.0 112.621 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -69.44 -74.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.136 0.493 . . . . 15.0 111.405 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -148.85 161.62 41.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 107.802 -1.185 . . . . 15.0 107.802 179.198 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.155 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.5 t-105 -68.87 -52.44 29.65 Favored 'General case' 0 C--N 1.271 -2.826 0 C-N-CA 116.963 -1.895 . . . . 15.0 109.455 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.823 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.373 3.0 p -82.44 -24.34 34.36 Favored 'General case' 0 N--CA 1.423 -1.798 0 N-CA-C 119.718 3.229 . . . . 15.0 119.718 -176.318 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 4.1 tt -51.85 -33.16 35.06 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 105.087 -2.19 . . . . 15.0 105.087 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.932 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -82.43 -50.21 9.12 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.444 -2.162 . . . . 15.0 111.279 175.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.823 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 11.2 p -78.55 -10.14 59.61 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 117.207 2.299 . . . . 15.0 117.207 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.01 -9.82 59.72 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 169.166 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 48.2 mmtt -85.49 -68.41 0.73 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.054 -1.884 . . . . 15.0 111.029 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.95 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -57.76 -31.58 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -176.205 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.778 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -38.12 117.15 0.58 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.205 1.003 . . . . 15.0 112.599 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 87.16 -0.06 0.52 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 112.087 -2.324 . . . . 15.0 111.249 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -90.39 143.17 28.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.006 -0.739 . . . . 15.0 109.006 170.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.94 -27.57 64.17 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.911 2.408 . . . . 15.0 113.018 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.2 m-20 -62.66 -48.77 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.174 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.95 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 54.5 t80 -70.09 -11.35 60.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.826 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -94.38 4.4 53.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.623 -0.262 . . . . 15.0 111.568 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.624 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 64.2 mmtt -63.35 -44.81 93.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.63 0.253 . . . . 15.0 111.292 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.765 HG12 ' CE1' ' A' ' 12' ' ' PHE . 36.2 mm -89.26 131.07 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -58.26 -43.92 88.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.035 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.55 123.55 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.443 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 22.4 t70 -77.52 -21.98 51.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.126 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -74.39 -2.42 25.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.335 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 87.2 t -110.43 -24.57 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.244 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 95.6 mtt180 -56.29 -49.77 73.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.29 0.567 . . . . 15.0 111.422 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.155 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.95 -10.28 59.73 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 113.882 1.067 . . . . 15.0 113.882 177.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.8 m -76.83 -9.73 58.88 Favored 'General case' 0 C--N 1.28 -2.455 0 C-N-CA 119.463 -0.895 . . . . 15.0 110.138 163.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' ARG . 32.7 mt -75.58 -44.46 43.04 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 125.191 2.424 . . . . 15.0 114.126 -174.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 54' ' ' GLU 0.517 0.0 OUTLIER -79.74 -28.94 40.43 Favored 'General case' 2 C--N 1.204 -5.757 0 CA-C-N 108.534 -3.939 . . . . 15.0 110.038 -160.854 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.58 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -56.06 -38.13 70.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.065 -1.879 . . . . 15.0 109.81 171.362 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.05 -50.69 18.54 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.568 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.097 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.2 t90 -68.25 -18.93 64.67 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.039 . . . . 15.0 111.01 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.23 -47.78 75.59 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 113.409 -1.723 . . . . 15.0 109.258 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.73 40.29 2.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.12 -1.192 . . . . 15.0 110.12 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.957 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.085 -173.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 pt 42.11 92.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.835 1.254 . . . . 15.0 114.085 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 179.43 -44.74 0.01 OUTLIER 'General case' 0 CA--C 1.471 -2.069 0 CA-C-O 126.602 3.096 . . . . 15.0 111.505 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.94 -18.59 50.08 Favored 'General case' 1 C--N 1.196 -6.101 1 CA-C-N 104.775 -5.648 . . . . 15.0 110.564 179.775 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.802 ' HA ' HD22 ' A' ' 52' ' ' LEU . 15.2 ptt180 -58.45 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.505 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.935 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 39.1 m-80 -63.45 -22.46 66.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.125 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.817 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.7 mt -60.43 -46.9 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.862 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 2.7 m-85 -70.48 -50.76 34.67 Favored 'General case' 0 C--O 1.173 -2.946 0 CA-C-O 116.655 -1.64 . . . . 15.0 112.291 -174.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.08 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.4 0.4 OUTLIER -39.32 -47.03 1.67 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.024 1.33 . . . . 15.0 110.439 164.14 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.25 -39.34 86.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.936 0.398 . . . . 15.0 110.256 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 11.1 mt -70.58 -28.9 65.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 171.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.056 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.0 m-30 -79.86 -25.3 40.75 Favored 'General case' 0 N--CA 1.393 -3.302 0 N-CA-C 106.804 -1.554 . . . . 15.0 106.804 -171.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' PHE . 31.9 t70 -80.33 -46.55 15.93 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.202 . . . . 15.0 109.864 171.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.8 ttp180 -59.05 -24.61 63.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.598 -1.183 . . . . 15.0 111.183 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -105.1 -2.59 24.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.592 -0.443 . . . . 15.0 109.826 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.599 ' HB2' ' NZ ' ' A' ' 20' ' ' LYS . 5.2 mtmp? 54.39 72.53 0.45 Allowed 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.457 -0.792 . . . . 15.0 110.654 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -82.63 166.13 19.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 121.679 0.752 . . . . 15.0 110.456 -177.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.591 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 19.0 m-20 -96.32 86.09 4.12 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.817 -1.549 . . . . 15.0 106.817 166.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.975 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.52 -31.21 71.95 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 112.772 -2.013 . . . . 15.0 110.941 -169.53 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -101.13 -2.29 31.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.847 -0.615 . . . . 15.0 112.619 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 t -80.74 -79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.087 0.47 . . . . 15.0 110.773 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -144.53 153.1 41.49 Favored 'General case' 0 CA--C 1.467 -2.236 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.127 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 14.8 t-105 -67.23 -51.41 53.52 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 113.845 -1.525 . . . . 15.0 109.233 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.822 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.268 2.3 p -81.28 -23.84 37.65 Favored 'General case' 0 N--CA 1.416 -2.128 0 N-CA-C 117.414 2.376 . . . . 15.0 117.414 -173.709 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 29' ' ' LEU . 6.7 tt -53.52 -28.72 32.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.532 -2.025 . . . . 15.0 105.532 173.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.919 ' HB3' HD12 ' A' ' 21' ' ' LEU . 9.3 mm-40 -81.67 -50.32 9.45 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 113.179 -1.828 . . . . 15.0 110.569 173.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.067 ' HA ' HD11 ' A' ' 34' ' ' ILE . 54.4 p -78.64 -24.71 45.11 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 117.866 2.543 . . . . 15.0 117.866 -175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 28' ' ' SER . 9.3 ptmm? -80.16 -10.69 59.77 Favored 'General case' 0 C--N 1.313 -1.022 0 O-C-N 120.609 -1.307 . . . . 15.0 107.496 166.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 62.7 tttp -86.02 -67.59 0.8 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.76 -1.564 . . . . 15.0 112.105 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.067 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -52.97 -45.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 120.923 0.392 . . . . 15.0 111.774 -177.314 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.795 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.4 tm-20 17.92 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.534 1.934 . . . . 15.0 114.934 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 6.9 p30 -72.82 5.53 3.15 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.227 1.195 . . . . 15.0 114.227 -172.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.03 144.16 67.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.015 -0.428 . . . . 15.0 110.597 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.98 -27.74 55.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.322 2.681 . . . . 15.0 112.407 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 18' ' ' ARG . 1.1 m-20 -62.2 -50.01 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.321 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.908 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 73.7 t80 -74.99 -10.16 59.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.107 0.48 . . . . 15.0 110.722 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 36' ' ' ASN . 17.3 m-30 -100.16 10.58 41.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.444 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.862 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.3 mmtt -69.84 -21.97 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.207 0.527 . . . . 15.0 110.199 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.75 HD12 HD11 ' A' ' 52' ' ' LEU . 72.0 mt -122.17 125.96 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.818 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.609 . . . . 15.0 112.392 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.58 119.44 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.205 0.526 . . . . 15.0 111.624 -174.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 26.4 t70 -72.78 -25.51 61.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.09 -0.959 . . . . 15.0 110.316 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.06 1.28 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 15.0 111.984 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.4 t -107.03 -26.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 172.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.9 mtt180 -60.34 -48.76 80.35 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.856 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.127 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.82 -14.04 58.4 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 114.057 1.132 . . . . 15.0 114.057 179.313 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -71.62 -9.68 58.62 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.56 -0.856 . . . . 15.0 110.378 165.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.1 mt -76.97 -50.4 13.29 Favored 'General case' 0 CA--C 1.46 -2.504 0 CA-C-O 125.959 2.79 . . . . 15.0 113.713 -174.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.852 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.537 0.0 OUTLIER -70.24 -30.63 67.73 Favored 'General case' 2 C--N 1.2 -5.897 1 CA-C-N 107.108 -4.587 . . . . 15.0 110.193 -165.627 . . . . . . . . 6 4 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -55.87 -50.12 71.48 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.841 -1.527 . . . . 15.0 109.77 172.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.72 -48.81 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.154 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.08 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 61.1 t90 -71.39 -20.46 62.14 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.177 0.989 . . . . 15.0 111.656 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 51.1 t -69.76 -50.05 47.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.822 -1.081 . . . . 15.0 109.232 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.79 41.18 2.27 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.078 -1.209 . . . . 15.0 110.078 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.832 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.701 -0.749 . . . . 15.0 109.43 -173.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 121.564 0.697 . . . . 15.0 109.965 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 HG22 ' HD3' ' A' ' 9' ' ' ARG . 30.1 pt 39.3 90.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 114.49 -1.232 . . . . 15.0 113.321 -174.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -164.39 -53.86 0.03 OUTLIER 'General case' 0 CA--C 1.468 -2.18 0 CA-C-O 126.657 3.122 . . . . 15.0 110.775 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -68.08 -30.61 69.84 Favored 'General case' 1 C--N 1.199 -5.96 2 CA-C-N 103.788 -6.096 . . . . 15.0 109.969 -179.938 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.682 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.4 ptt180 -54.29 -50.14 68.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.113 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.938 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 14.7 m120 -61.87 -19.86 63.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.663 -0.698 . . . . 15.0 110.904 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 70.4 mt -60.47 -45.69 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.386 -0.598 . . . . 15.0 109.386 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.709 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -73.63 -51.08 17.99 Favored 'General case' 0 C--O 1.176 -2.803 0 CA-C-O 116.828 -1.558 . . . . 15.0 112.447 -173.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.094 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.341 0.2 OUTLIER -39.73 -44.19 1.52 Allowed 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 124.822 1.249 . . . . 15.0 110.155 163.828 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.73 -50.01 68.57 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.504 0.669 . . . . 15.0 109.459 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 39' ' ' ASP . 12.2 mt -60.55 -31.6 70.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.89 -1.05 . . . . 15.0 108.835 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.047 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.3 m-30 -79.98 -26.58 39.87 Favored 'General case' 0 N--CA 1.389 -3.489 0 N-CA-C 107.575 -1.269 . . . . 15.0 107.575 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' PHE . 29.5 t70 -80.54 -45.22 17.78 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.927 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 18' ' ' ARG . 32.2 ttt85 -60.58 -24.9 65.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.592 -1.186 . . . . 15.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -104.74 1.02 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.298 -1.001 . . . . 15.0 108.298 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 39.59 83.17 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.978 -1.465 . . . . 15.0 111.941 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -86.32 164.42 17.11 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 114.295 -1.321 . . . . 15.0 110.073 -177.026 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.695 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 15.7 m-20 -90.56 79.61 6.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.84 -28.87 70.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.018 -2.356 . . . . 15.0 110.876 -169.531 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -106.6 28.74 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.838 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -117.77 -80.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -142.06 154.56 45.05 Favored 'General case' 0 CA--C 1.47 -2.119 0 CA-C-O 121.777 0.799 . . . . 15.0 109.092 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.138 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.8 t-105 -68.53 -51.48 42.56 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.677 -1.602 . . . . 15.0 109.494 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.846 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.284 2.6 p -81.31 -23.76 37.62 Favored 'General case' 0 N--CA 1.412 -2.359 0 N-CA-C 117.005 2.224 . . . . 15.0 117.005 -173.147 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 tp -49.2 -32.57 10.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.096 -1.816 . . . . 15.0 106.096 170.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.986 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.8 -50.44 9.23 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.63 -2.077 . . . . 15.0 111.396 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.978 ' HA ' HD11 ' A' ' 34' ' ' ILE . 16.4 p -79.1 -20.78 47.84 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 117.529 2.418 . . . . 15.0 117.529 -175.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -80.24 -15.61 56.6 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.058 -1.46 . . . . 15.0 107.058 165.641 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 52.7 tttp -84.01 -63.08 1.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 113.394 -1.73 . . . . 15.0 112.516 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.978 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -56.67 -34.77 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -176.687 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.919 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -36.62 139.2 0.19 Allowed 'General case' 0 N--CA 1.428 -1.538 0 CA-C-O 123.388 1.566 . . . . 15.0 112.57 173.572 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 t30 81.29 -20.45 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 110.02 -3.264 . . . . 15.0 111.549 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 52.7 m-20 -79.02 144.45 63.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.126 -0.359 . . . . 15.0 110.084 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 26.5 Cg_exo -62.36 -13.7 34.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.656 2.238 . . . . 15.0 112.602 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.942 ' HB3' HD13 ' A' ' 15' ' ' LEU . 53.7 m-20 -80.12 -37.03 34.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -175.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CG ' HD13 ' A' ' 34' ' ' ILE . 30.8 t80 -65.54 -30.31 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.226 -0.59 . . . . 15.0 111.133 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.719 ' CZ ' ' HA ' ' A' ' 38' ' ' PRO . 12.3 p90 -99.3 25.96 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.881 -0.728 . . . . 15.0 111.549 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.65 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 35.6 mmtm -63.6 -30.92 71.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.263 0.554 . . . . 15.0 109.791 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.709 HG12 ' CE1' ' A' ' 12' ' ' PHE . 39.5 mm -103.03 135.54 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.117 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -58.0 -29.63 65.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.354 -0.839 . . . . 15.0 112.714 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.629 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m-20 -117.84 146.07 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.491 0.663 . . . . 15.0 111.642 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.9 t70 -92.56 -28.8 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 15.0 111.116 -175.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -80.93 16.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.93 0.871 . . . . 15.0 109.998 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 t -117.35 -22.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.947 -1.024 . . . . 15.0 108.513 169.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.632 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.0 mtt180 -63.67 -47.93 79.26 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.139 -0.937 . . . . 15.0 111.255 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.138 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.58 -9.81 59.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.695 0.998 . . . . 15.0 113.695 177.673 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 m -76.42 -9.7 58.85 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 119.567 -0.853 . . . . 15.0 110.615 162.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.6 mt -76.11 -46.71 27.55 Favored 'General case' 0 CA--C 1.466 -2.278 0 CA-C-O 125.053 2.359 . . . . 15.0 114.02 -174.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' HD1' ' CD ' ' A' ' 23' ' ' LYS 0.506 0.1 OUTLIER -80.06 -31.58 39.4 Favored 'General case' 2 C--N 1.203 -5.766 0 CA-C-N 108.687 -3.869 . . . . 15.0 110.312 -162.363 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.76 -45.59 74.22 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.718 -1.583 . . . . 15.0 109.331 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.38 -50.49 45.65 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.567 -0.742 . . . . 15.0 112.305 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.094 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 33.4 t90 -66.08 -19.59 65.9 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.143 0.973 . . . . 15.0 111.175 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 53.3 t -64.83 -45.89 84.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.026 -1.443 . . . . 15.0 109.774 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.27 24.99 10.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.519 -1.033 . . . . 15.0 110.519 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.974 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.46 -0.87 . . . . 15.0 109.864 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.514 -0.439 0 N-CA-C 109.16 -0.681 . . . . 15.0 109.16 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 pt 29.92 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 113.821 -1.536 . . . . 15.0 114.198 -176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -166.82 -52.3 0.03 OUTLIER 'General case' 0 CA--C 1.467 -2.236 0 CA-C-O 126.672 3.13 . . . . 15.0 111.002 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.92 -30.59 71.19 Favored 'General case' 1 C--N 1.198 -6.005 1 CA-C-N 104.124 -5.944 . . . . 15.0 110.538 -178.994 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.77 ' HA ' HD22 ' A' ' 52' ' ' LEU . 47.1 ptt85 -55.25 -50.35 69.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.769 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.949 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 24.6 m-80 -59.29 -25.67 64.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.589 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.773 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.4 mt -54.89 -50.09 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 O-C-N 123.499 0.5 . . . . 15.0 109.657 173.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.7 m-85 -71.6 -50.86 26.93 Favored 'General case' 0 C--O 1.167 -3.237 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.293 -172.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.09 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.38 0.3 OUTLIER -39.71 -47.39 2.02 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.425 1.466 . . . . 15.0 110.594 165.618 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' ASN . 38.2 mt-10 -69.41 -39.41 77.94 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.582 -0.447 . . . . 15.0 109.983 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -66.32 -32.37 73.73 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 107.813 -1.18 . . . . 15.0 107.813 169.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 1.05 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.5 m-30 -77.97 -24.61 48.02 Favored 'General case' 0 N--CA 1.392 -3.346 0 N-CA-C 107.532 -1.284 . . . . 15.0 107.532 -168.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.9 t70 -80.47 -44.85 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.481 0.658 . . . . 15.0 109.994 170.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -58.93 -27.45 65.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.702 -1.136 . . . . 15.0 110.899 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -106.23 11.56 31.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm 39.6 70.08 0.25 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.852 1.345 . . . . 15.0 112.055 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.95 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.8 OUTLIER -79.08 165.5 23.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.442 -175.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.57 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 5.2 m-20 -97.73 87.31 4.01 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.563 -1.643 . . . . 15.0 106.563 165.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.09 -30.0 71.25 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 112.617 -2.083 . . . . 15.0 110.876 -169.391 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -87.91 -30.4 20.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.522 0.564 . . . . 15.0 112.522 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -63.47 -80.59 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.52 154.47 47.68 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-O 121.854 0.835 . . . . 15.0 109.27 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.115 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.4 t-105 -66.53 -51.56 55.23 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 113.597 -1.638 . . . . 15.0 108.932 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.872 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.283 5.5 p -81.36 -31.96 33.14 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 117.608 2.447 . . . . 15.0 117.608 -172.173 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 33.9 tp -49.83 -27.98 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 175.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.95 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.2 mm-40 -82.06 -50.31 9.22 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 112.851 -1.977 . . . . 15.0 111.186 170.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.872 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 57.7 p -80.18 -40.9 26.32 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.759 2.133 . . . . 15.0 116.759 -173.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.801 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.9 ptmm? -64.82 -9.66 22.35 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.965 -1.124 . . . . 15.0 107.965 170.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.09 -51.87 3.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.593 -1.185 . . . . 15.0 110.614 177.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.694 HD13 ' HE1' ' A' ' 16' ' ' PHE . 4.0 pt -73.06 -5.6 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.333 0.587 . . . . 15.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.978 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 9.2 tt0 -45.76 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.419 -1.264 . . . . 15.0 112.242 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -50.08 -27.34 5.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.966 176.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 28.3 m-20 -68.17 158.41 84.31 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 15.0 110.875 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.94 2.41 4.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.02 1.813 . . . . 15.0 110.745 168.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' HB3' ' HB ' ' A' ' 34' ' ' ILE . 9.1 t0 -67.76 -50.5 56.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.912 -1.04 . . . . 15.0 109.674 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.978 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.59 -44.47 85.41 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.238 175.447 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.89 9.74 3.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.152 -0.931 . . . . 15.0 113.099 -165.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 70.5 mmtt -77.68 -25.9 49.87 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.46 -0.571 . . . . 15.0 109.46 172.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 52' ' ' LEU . 75.9 mt -127.46 126.34 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.358 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 14.0 ptt180 -65.46 -42.87 91.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 15.0 111.348 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.541 ' N ' ' HG3' ' A' ' 44' ' ' ARG . 9.3 m-20 -77.13 106.42 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.197 0.523 . . . . 15.0 111.234 -174.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 25.6 t70 -67.67 -23.94 65.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -73.4 -6.31 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 15.0 111.339 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.9 t -104.45 -28.82 2.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.592 -0.522 . . . . 15.0 109.592 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 89.2 mtt180 -55.52 -49.44 72.59 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.018 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.115 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.81 -10.12 59.75 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.278 1.214 . . . . 15.0 114.278 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.7 m -71.98 -9.5 58.45 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.183 -1.007 . . . . 15.0 110.446 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 9' ' ' ARG . 19.8 mt -76.86 -50.08 14.23 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-O 125.333 2.492 . . . . 15.0 113.895 -173.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.518 0.0 OUTLIER -78.14 -29.99 49.04 Favored 'General case' 2 C--N 1.199 -5.965 0 CA-C-N 108.415 -3.993 . . . . 15.0 110.161 -163.636 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -47.31 69.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.933 -1.485 . . . . 15.0 109.428 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 23.4 mm-40 -75.24 -50.54 15.81 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.668 -0.696 . . . . 15.0 112.018 -172.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.09 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.8 t90 -60.98 -23.56 65.45 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.546 1.165 . . . . 15.0 111.312 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.513 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 42.8 t -68.74 -50.36 51.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.528 -1.669 . . . . 15.0 111.167 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.96 41.87 2.06 Favored Glycine 0 CA--C 1.495 -1.166 0 N-CA-C 109.211 -1.555 . . . . 15.0 109.211 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.757 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 20.5 tt0 . . . . . 0 N--CA 1.435 -1.184 0 CA-C-N 114.626 -0.787 . . . . 15.0 110.898 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 CA--C 1.471 -2.072 0 CA-C-O 126.573 3.082 . . . . 15.0 111.283 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.541 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -78.44 -24.59 46.0 Favored 'General case' 1 C--N 1.198 -6.018 1 CA-C-N 104.448 -5.797 . . . . 15.0 109.914 -179.906 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 10' ' ' ASN . 22.0 ptt180 -56.11 -50.18 71.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.669 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.962 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 42.7 m-80 -60.95 -19.81 61.39 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.066 -176.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mm -59.46 -44.74 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 172.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.694 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.7 m-85 -74.58 -51.11 15.47 Favored 'General case' 0 C--O 1.175 -2.838 0 CA-C-O 117.129 -1.415 . . . . 15.0 112.875 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.166 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.57 -45.18 1.57 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.015 1.326 . . . . 15.0 110.202 162.969 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 12.6 tp10 -63.38 -50.24 70.68 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.988 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.0 mt -59.99 -32.54 70.94 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.215 -0.902 . . . . 15.0 108.965 171.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.08 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m-30 -77.7 -30.65 51.94 Favored 'General case' 0 N--CA 1.392 -3.352 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 -167.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.56 -37.49 31.32 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.731 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -49.81 -35.51 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.166 -0.925 . . . . 15.0 111.175 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -111.27 12.85 21.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.08 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.61 76.77 0.05 Allowed 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 124.518 1.136 . . . . 15.0 112.174 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 30' ' ' GLN . 23.3 mt -77.03 -171.36 1.97 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.161 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.989 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 7.4 t70 -119.41 106.03 11.86 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 107.85 -1.167 . . . . 15.0 107.85 160.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.972 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -75.35 -0.54 20.16 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.199 -1.364 . . . . 15.0 110.435 -170.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.49 -47.14 2.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 35.6 t -47.24 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.535 0.734 . . . . 15.0 111.997 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 ' H ' ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -135.45 157.99 45.51 Favored 'General case' 0 CA--C 1.458 -2.588 0 N-CA-C 108.34 -0.985 . . . . 15.0 108.34 174.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.137 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.1 t-105 -72.91 -52.03 16.26 Favored 'General case' 0 C--N 1.27 -2.88 0 C-N-CA 117.409 -1.716 . . . . 15.0 109.046 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.88 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.303 6.0 p -82.19 -34.69 28.88 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 118.554 2.798 . . . . 15.0 118.554 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 13.4 tp -48.76 -31.16 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.348 -1.723 . . . . 15.0 106.348 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.989 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -82.08 -47.57 12.43 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 112.703 -2.044 . . . . 15.0 110.454 172.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.88 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 65.2 p -79.6 -40.36 29.53 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.898 2.184 . . . . 15.0 116.898 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.6 ptmm? -64.56 -9.37 18.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.328 -0.99 . . . . 15.0 108.328 171.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 23.6 ttmm -92.52 -40.45 10.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 113.995 -1.457 . . . . 15.0 109.584 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 40' ' ' PHE . 2.0 pt -86.39 -4.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.564 0.697 . . . . 15.0 109.867 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.93 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tt0 -44.61 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.957 -1.474 . . . . 15.0 114.023 -175.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.95 -25.13 1.24 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.595 -1.184 . . . . 15.0 112.94 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 5.0 m-20 -63.57 132.49 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.157 -0.312 . . . . 15.0 110.157 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.7 Cg_exo -56.43 -13.11 9.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.914 2.409 . . . . 15.0 112.451 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.988 ' HB3' HD13 ' A' ' 15' ' ' LEU . 8.0 m-20 -80.07 -29.04 39.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.063 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.93 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 2.0 t80 -61.6 -27.66 68.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.535 -0.913 . . . . 15.0 108.535 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -93.75 12.37 25.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.063 -0.971 . . . . 15.0 111.441 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 36.6 mmtm -59.45 -38.46 80.81 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 45' ' ' ASP . 47.0 mm -117.02 130.31 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.817 -1.083 . . . . 15.0 108.929 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -82.53 -9.36 59.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 15.0 110.126 -176.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 43' ' ' ILE . 5.9 m-20 -91.18 101.9 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.388 -0.824 . . . . 15.0 109.671 177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 27.2 t70 -66.81 -29.36 69.28 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -65.94 -13.67 60.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.587 -0.733 . . . . 15.0 111.415 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.425 ' O ' HD13 ' A' ' 52' ' ' LEU . 87.6 t -100.95 -33.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 15.0 110.046 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.805 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.1 mtt180 -53.02 -50.0 65.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.645 -0.707 . . . . 15.0 111.738 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.137 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.04 -27.03 39.5 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.007 -1.077 . . . . 15.0 112.606 -175.125 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -60.7 -12.54 10.72 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 120.148 -0.621 . . . . 15.0 110.395 168.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.36 -51.13 9.23 Favored 'General case' 0 CA--C 1.461 -2.442 0 CA-C-O 125.829 2.728 . . . . 15.0 113.64 -172.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.543 1.6 t80 -48.74 -43.19 37.34 Favored 'General case' 2 C--N 1.2 -5.893 1 CA-C-N 106.498 -4.865 . . . . 15.0 112.623 175.007 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -69.74 -37.24 76.4 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.474 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.6 mt-10 -72.33 -50.63 25.43 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 118.792 -1.163 . . . . 15.0 109.631 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.166 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.8 t90 -58.08 -27.74 63.93 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.049 0.928 . . . . 15.0 111.461 -177.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -56.64 -41.36 77.04 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.549 -1.659 . . . . 15.0 109.351 -175.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' SG ' ' A' ' 57' ' ' CYS . . . -134.34 40.4 1.58 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.635 -1.386 . . . . 15.0 109.635 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.255 -0.973 . . . . 15.0 109.679 -172.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.9 p30 . . . . . 0 CA--C 1.479 -1.774 0 CA-C-O 125.578 2.609 . . . . 15.0 112.061 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -80.01 -38.38 32.19 Favored 'General case' 1 C--N 1.204 -5.732 1 CA-C-N 106.291 -4.958 . . . . 15.0 110.514 -179.431 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.695 ' HD3' ' OE1' ' A' ' 55' ' ' GLU . 12.2 ptp180 -75.3 -48.83 21.37 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.651 -1.159 . . . . 15.0 111.584 -170.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.946 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 2.5 m-80 -68.98 -10.05 55.39 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.913 0.885 . . . . 15.0 109.537 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.839 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.2 mt -67.6 -45.31 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.199 -0.91 . . . . 15.0 109.313 168.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.1 m-85 -75.76 -51.22 13.15 Favored 'General case' 0 C--O 1.174 -2.921 0 CA-C-O 116.709 -1.615 . . . . 15.0 112.458 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.146 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.35 0.1 OUTLIER -39.67 -41.68 1.1 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.989 1.268 . . . . 15.0 110.013 162.737 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 13.2 tp10 -65.42 -50.18 66.4 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.615 0.721 . . . . 15.0 109.757 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.6 mt -60.4 -33.13 72.04 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.364 -1.289 . . . . 15.0 108.762 171.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.084 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m-30 -80.33 -24.97 39.54 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 107.018 -1.475 . . . . 15.0 107.018 -168.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' PHE . 19.3 t70 -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.026 170.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 18' ' ' ARG . 6.3 ttm-85 -60.37 -25.23 65.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.815 -1.539 . . . . 15.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.0 3.62 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm 42.72 81.63 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.799 -1.546 . . . . 15.0 111.838 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.877 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -88.65 165.53 14.72 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.923 -1.035 . . . . 15.0 110.563 -177.011 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.44 89.97 6.05 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.673 -1.603 . . . . 15.0 106.673 165.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.983 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.22 -33.7 75.08 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.134 -1.848 . . . . 15.0 110.55 -173.127 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -87.34 14.0 8.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.549 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -104.29 -115.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 15.0 110.819 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -109.41 155.43 21.27 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 108.717 -0.846 . . . . 15.0 108.717 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -68.51 -51.14 46.38 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 113.732 -1.576 . . . . 15.0 109.232 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.913 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.279 4.6 p -81.47 -27.82 34.41 Favored 'General case' 0 N--CA 1.418 -2.061 0 N-CA-C 117.203 2.298 . . . . 15.0 117.203 -172.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.0 tp -50.65 -29.24 10.6 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.388 -1.708 . . . . 15.0 106.388 173.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.877 ' HB3' HD12 ' A' ' 21' ' ' LEU . 10.0 mm-40 -81.6 -50.45 9.33 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 112.705 -2.043 . . . . 15.0 110.455 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.913 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 10.1 p -80.18 -39.19 29.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.564 2.431 . . . . 15.0 117.564 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -67.43 -9.58 43.16 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.687 -1.227 . . . . 15.0 107.687 171.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -95.83 -55.14 3.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.825 -1.534 . . . . 15.0 110.707 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.741 HD13 ' HE1' ' A' ' 16' ' ' PHE . 7.7 pt -74.66 -1.1 2.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-O 121.376 0.607 . . . . 15.0 109.822 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.833 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 7.7 tt0 -42.23 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.168 -1.378 . . . . 15.0 113.444 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.36 8.35 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.495 -0.775 . . . . 15.0 113.035 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.646 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 70.4 m-20 -84.36 129.35 58.19 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.548 -0.908 . . . . 15.0 108.548 172.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.92 -15.76 10.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.849 2.366 . . . . 15.0 112.892 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.034 ' HB3' HD13 ' A' ' 15' ' ' LEU . 44.3 m-20 -74.38 -28.98 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.613 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.833 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -57.95 -35.72 71.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.893 0.854 . . . . 15.0 108.786 171.145 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -85.56 8.78 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.769 -1.105 . . . . 15.0 111.935 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 42.6 mmtm -61.34 -38.91 88.63 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 171.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.706 HG12 ' CE1' ' A' ' 12' ' ' PHE . 40.0 mm -107.45 134.13 50.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.82 . . . . 15.0 109.752 176.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -66.69 -33.92 76.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.37 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 43' ' ' ILE . 17.9 t70 -100.91 135.59 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.273 -175.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.6 t70 -84.79 -28.31 26.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.639 -176.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.452 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -77.55 1.74 18.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.102 0.477 . . . . 15.0 111.267 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.531 ' O ' HD13 ' A' ' 52' ' ' LEU . 99.1 t -98.85 -31.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.91 ' HA ' HD22 ' A' ' 52' ' ' LEU . 86.7 mtt180 -58.15 -48.94 78.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.777 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -23.93 40.1 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.475 -1.29 . . . . 15.0 112.404 -178.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.6 m -59.7 -12.93 7.97 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.167 -0.613 . . . . 15.0 110.326 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.01 -51.22 9.32 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-O 126.189 2.899 . . . . 15.0 113.941 -171.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.514 ' O ' ' HD2' ' A' ' 23' ' ' LYS 0.539 0.1 OUTLIER -48.51 -45.08 36.67 Favored 'General case' 2 C--N 1.201 -5.864 1 CA-C-N 106.212 -4.995 . . . . 15.0 111.858 175.465 . . . . . . . . 6 4 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -61.98 -50.11 73.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 15.0 110.174 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 31.6 mt-10 -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.036 -177.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.146 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 44.4 t90 -63.68 -27.76 69.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.116 0.96 . . . . 15.0 111.499 178.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 50.2 t -71.69 -50.39 30.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.481 -1.236 . . . . 15.0 110.868 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.36 36.11 3.97 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 109.855 -1.298 . . . . 15.0 109.855 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 56' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.092 -1.054 . . . . 15.0 109.261 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.47 -2.1 0 CA-C-O 126.228 2.918 . . . . 15.0 112.135 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.05 -28.83 39.19 Favored 'General case' 1 C--N 1.194 -6.18 1 CA-C-N 105.274 -5.421 . . . . 15.0 110.089 -179.83 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.71 ' HA ' HD22 ' A' ' 52' ' ' LEU . 20.3 ptt180 -56.04 -50.49 70.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.164 -0.925 . . . . 15.0 111.933 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.886 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 50.1 m-80 -64.23 -10.03 20.91 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.858 -174.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.822 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -70.22 -46.81 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 171.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.748 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -71.11 -50.99 27.73 Favored 'General case' 0 C--O 1.172 -2.984 0 CA-C-O 117.123 -1.418 . . . . 15.0 112.558 -172.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.433 0.3 OUTLIER -39.32 -45.0 1.37 Allowed 'General case' 0 N--CA 1.512 2.671 0 C-N-CA 125.705 1.602 . . . . 15.0 110.935 164.533 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -67.11 -46.72 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.361 -0.978 . . . . 15.0 108.361 -178.369 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.5 mt -62.8 -31.33 72.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 15.0 108.928 170.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.043 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.8 m-30 -76.59 -31.56 57.55 Favored 'General case' 0 N--CA 1.395 -3.209 0 N-CA-C 108.835 -0.802 . . . . 15.0 108.835 -169.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.46 -44.1 19.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.703 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.29 -29.13 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.205 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -108.06 0.11 21.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.086 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 36.3 tptt 54.22 91.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.953 0.883 . . . . 15.0 111.899 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 30' ' ' GLN . 20.0 mt -100.52 -170.76 1.91 Allowed 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.804 -0.634 . . . . 15.0 109.521 171.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.983 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 44.4 m-20 -130.61 96.59 4.15 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.943 -1.026 . . . . 15.0 108.308 166.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.96 -4.56 13.48 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.468 -1.697 . . . . 15.0 112.206 -164.212 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.743 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 41.0 p90 -132.93 7.9 4.05 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.5 t -96.77 -72.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.428 0.633 . . . . 15.0 109.477 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.32 165.24 18.71 Favored 'General case' 0 CA--C 1.456 -2.668 0 N-CA-C 106.63 -1.619 . . . . 15.0 106.63 169.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.131 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.5 t-105 -79.16 -52.12 8.6 Favored 'General case' 0 C--N 1.265 -3.069 0 C-N-CA 117.692 -1.603 . . . . 15.0 109.561 168.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 1.087 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.415 3.1 p -82.29 -24.86 34.47 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 120.249 3.426 . . . . 15.0 120.249 -175.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.7 tp -52.43 -29.23 23.37 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 122.486 2.403 . . . . 15.0 106.436 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.983 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.4 mp0 -81.87 -50.02 9.68 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 112.307 -2.224 . . . . 15.0 110.855 176.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.794 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 14.2 p -77.32 -29.3 53.51 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.895 1.813 . . . . 15.0 115.895 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 1.087 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 9.8 mmpt? -58.94 -9.92 2.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 122.067 0.936 . . . . 15.0 108.529 169.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 54.8 mttm -92.56 -59.14 2.15 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.799 -1.546 . . . . 15.0 108.24 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.686 HD13 ' HE1' ' A' ' 16' ' ' PHE . 2.6 pt -75.47 -9.66 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.206 -1.361 . . . . 15.0 112.34 -169.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.6 pt-20 -66.1 -31.33 72.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.535 0.568 . . . . 15.0 112.535 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -87.88 13.7 10.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.527 0.68 . . . . 15.0 109.935 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -119.63 153.14 54.14 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 114.816 -1.084 . . . . 15.0 108.512 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.45 -6.45 10.29 Favored 'Trans proline' 0 CA--C 1.527 0.166 0 C-N-CA 122.452 2.102 . . . . 15.0 111.335 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.008 ' HB3' HD13 ' A' ' 15' ' ' LEU . 31.3 m-20 -80.01 -30.19 39.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.198 -0.91 . . . . 15.0 112.503 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -33.47 75.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 170.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -81.21 6.19 14.73 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.721 -1.127 . . . . 15.0 111.832 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.748 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 72.6 mmtt -63.69 -41.23 98.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.685 HD12 HD11 ' A' ' 52' ' ' LEU . 56.8 mt -108.23 123.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.357 -0.838 . . . . 15.0 108.976 173.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 44' ' ' ARG . 9.0 ptp85 -64.01 -28.81 70.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 15.0 112.268 -174.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -102.45 138.29 39.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.385 0.612 . . . . 15.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 14.8 t70 -83.31 -19.22 36.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.773 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -66.01 -21.62 66.41 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.738 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.743 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 30.6 t -95.8 -30.98 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.593 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 85.3 mtt180 -53.26 -48.09 68.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.131 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.54 -28.37 37.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 118.734 -1.186 . . . . 15.0 112.679 -177.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 m -61.43 -9.96 6.6 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.433 0.635 . . . . 15.0 110.671 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 26.8 mt -74.5 -50.05 19.75 Favored 'General case' 0 CA--C 1.463 -2.379 0 CA-C-O 125.76 2.695 . . . . 15.0 113.642 -175.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.709 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.54 0.0 OUTLIER -78.36 -28.97 47.2 Favored 'General case' 2 C--N 1.199 -5.944 1 CA-C-N 107.241 -4.527 . . . . 15.0 110.16 -161.519 . . . . . . . . 6 4 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.1 mt-10 -62.84 -42.2 99.64 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.267 -1.788 . . . . 15.0 109.706 170.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 68.9 mm-40 -65.33 -50.22 66.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.462 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.5 t90 -71.08 -15.87 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.26 1.029 . . . . 15.0 111.376 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.3 t -63.92 -50.37 68.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.248 -1.342 . . . . 15.0 109.591 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.49 29.7 11.95 Favored Glycine 0 CA--C 1.506 -0.523 0 N-CA-C 110.144 -1.182 . . . . 15.0 110.144 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.01 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.938 0 CA-C-N 114.299 -0.95 . . . . 15.0 109.717 -174.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.466 -2.269 0 CA-C-O 126.856 3.217 . . . . 15.0 110.578 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -67.19 -24.92 65.91 Favored 'General case' 1 C--N 1.201 -5.888 1 CA-C-N 104.035 -5.984 . . . . 15.0 110.59 179.326 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.665 ' HD2' ' OE1' ' A' ' 55' ' ' GLU . 15.0 ptt180 -57.86 -50.24 73.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.596 . . . . 15.0 110.853 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.909 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.6 m-80 -64.88 -15.53 62.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.553 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.887 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -63.83 -44.89 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 172.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.5 m-85 -73.6 -51.09 18.05 Favored 'General case' 0 C--O 1.178 -2.68 0 CA-C-O 117.033 -1.461 . . . . 15.0 112.096 -173.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.139 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.62 -43.34 1.32 Allowed 'General case' 0 N--CA 1.508 2.472 0 C-N-CA 124.989 1.315 . . . . 15.0 110.44 162.231 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.0 tm-20 -65.95 -50.2 65.21 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.071 HD13 ' HB2' ' A' ' 39' ' ' ASP . 9.0 mt -58.35 -33.12 69.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 170.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.079 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.8 m-30 -80.07 -25.46 40.05 Favored 'General case' 0 N--CA 1.386 -3.63 0 N-CA-C 107.664 -1.236 . . . . 15.0 107.664 -168.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' PHE . 24.0 t70 -80.61 -45.42 17.33 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.281 169.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 18' ' ' ARG . 17.0 ttm180 -53.24 -30.85 40.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.645 -1.161 . . . . 15.0 111.005 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -103.98 -5.77 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.299 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 52.31 78.96 0.12 Allowed 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 123.908 0.755 . . . . 15.0 110.905 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.984 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -84.5 166.3 17.36 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.962 0.887 . . . . 15.0 110.371 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.613 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 41.6 m-20 -97.13 85.37 3.7 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.645 -1.613 . . . . 15.0 106.645 168.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.985 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.81 -31.14 72.07 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 112.71 -2.041 . . . . 15.0 111.794 -167.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -102.74 5.96 39.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -89.21 -82.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.736 -0.386 . . . . 15.0 110.842 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -136.42 153.57 51.04 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.712 0.768 . . . . 15.0 108.946 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.14 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -67.08 -51.58 52.64 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 113.626 -1.625 . . . . 15.0 109.028 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.842 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.313 4.8 p -81.44 -22.54 38.1 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 117.58 2.437 . . . . 15.0 117.58 -175.085 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 48.7 tp -53.25 -29.01 30.45 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 105.809 -1.922 . . . . 15.0 105.809 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.984 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.1 mm-40 -81.94 -50.71 8.84 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.601 -2.09 . . . . 15.0 112.162 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.842 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 4.9 p -79.51 -30.37 41.87 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.622 1.712 . . . . 15.0 115.622 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -67.93 -10.01 49.8 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.282 -1.377 . . . . 15.0 107.282 171.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 30.2 ttpt -104.4 -55.76 2.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 113.302 -1.772 . . . . 15.0 110.867 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.802 HD13 ' HE1' ' A' ' 16' ' ' PHE . 6.9 pt -75.83 -2.79 4.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-O 121.288 0.566 . . . . 15.0 110.203 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.768 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.2 tm-20 -38.18 -77.32 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.51 -1.223 . . . . 15.0 113.87 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -80.75 16.28 1.47 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.983 -0.553 . . . . 15.0 112.248 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.8 m-20 -85.05 140.47 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 173.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.56 -20.03 67.1 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.705 2.27 . . . . 15.0 112.311 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.071 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -80.06 -28.28 39.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.843 -0.617 . . . . 15.0 112.473 -177.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.81 -30.89 67.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 171.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.42 4.19 32.65 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.068 -0.969 . . . . 15.0 112.041 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.954 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 3.6 mptp? -62.06 -31.57 72.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.36 0.6 . . . . 15.0 109.513 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 52' ' ' LEU . 28.0 mt -113.67 128.25 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.064 173.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.33 -32.11 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.633 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.7 p30 -92.68 155.37 17.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.496 0.665 . . . . 15.0 110.695 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 37.5 t70 -115.74 36.34 4.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.186 -1.37 . . . . 15.0 108.317 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -123.19 -16.43 6.94 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.014 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.713 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 37.5 t -98.77 -25.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.876 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.2 mtt180 -57.3 -50.34 73.24 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.394 0.616 . . . . 15.0 111.704 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.14 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.87 -9.97 59.77 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 113.559 0.948 . . . . 15.0 113.559 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -74.36 -9.67 58.83 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 119.692 -0.803 . . . . 15.0 110.155 164.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 43' ' ' ILE . 63.9 mt -75.39 -49.4 19.11 Favored 'General case' 0 CA--C 1.458 -2.558 0 CA-C-O 125.678 2.656 . . . . 15.0 114.121 -173.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.698 ' HD2' ' O ' ' A' ' 50' ' ' GLU 0.517 0.0 OUTLIER -76.13 -33.29 59.43 Favored 'General case' 2 C--N 1.199 -5.972 1 CA-C-N 108.035 -4.166 . . . . 15.0 110.005 -165.042 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.51 -46.5 80.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.151 -1.386 . . . . 15.0 109.715 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.665 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 53.5 mt-10 -69.56 -50.2 47.05 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.564 -0.744 . . . . 15.0 111.544 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.139 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 50.6 t90 -66.44 -21.58 66.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.923 0.868 . . . . 15.0 111.288 -178.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 41.2 t -65.59 -50.12 66.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.219 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.21 33.11 6.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 109.968 -1.253 . . . . 15.0 109.968 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.817 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.179 -172.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t0 . . . . . 0 CA--C 1.466 -2.256 0 CA-C-O 126.954 3.264 . . . . 15.0 109.136 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 11' ' ' ILE . 56.8 mt-10 -71.73 -32.28 67.59 Favored 'General case' 1 C--N 1.202 -5.81 1 CA-C-N 103.656 -6.156 . . . . 15.0 111.033 -179.116 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.769 ' HA ' HD22 ' A' ' 52' ' ' LEU . 36.7 ptt85 -56.57 -50.57 71.53 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.113 -0.949 . . . . 15.0 110.177 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.918 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 44.2 m-80 -69.59 -17.47 63.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 110.038 -0.356 . . . . 15.0 110.038 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.834 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.3 mt -61.89 -49.76 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 171.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 5.4 m-85 -69.78 -51.36 34.64 Favored 'General case' 0 C--O 1.174 -2.869 0 CA-C-O 116.942 -1.504 . . . . 15.0 112.061 -173.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.112 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.357 0.3 OUTLIER -39.84 -45.09 1.74 Allowed 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 120.235 1.38 . . . . 15.0 110.589 164.35 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 8.6 tp10 -63.43 -50.29 70.37 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.934 0.874 . . . . 15.0 109.325 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -62.3 -31.5 72.11 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.941 -1.481 . . . . 15.0 108.75 173.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.063 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.4 m-30 -79.71 -25.0 41.3 Favored 'General case' 0 N--CA 1.39 -3.429 0 N-CA-C 106.904 -1.517 . . . . 15.0 106.904 -170.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 35.9 t70 -80.53 -44.41 19.14 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.012 172.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -52.78 -31.89 40.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.511 -1.222 . . . . 15.0 111.133 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 12.0 m-30 -104.16 -3.06 24.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 49.17 82.75 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.538 -1.21 . . . . 15.0 109.891 -176.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -84.09 163.89 19.56 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 114.208 -1.36 . . . . 15.0 110.295 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.651 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 24.0 m-20 -93.94 86.47 5.06 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.749 -1.574 . . . . 15.0 106.749 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.949 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -61.55 -31.63 71.67 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 112.772 -2.013 . . . . 15.0 111.894 -169.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.486 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 49.0 p90 -109.7 11.5 24.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.445 0.535 . . . . 15.0 112.445 -175.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.8 t -83.24 -75.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.12 0.486 . . . . 15.0 110.331 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -146.97 153.96 40.69 Favored 'General case' 0 CA--C 1.466 -2.285 0 N-CA-C 107.882 -1.155 . . . . 15.0 107.882 174.593 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.4 t-105 -66.73 -51.81 51.64 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 113.603 -1.635 . . . . 15.0 109.445 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.873 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.267 3.9 p -81.42 -23.31 37.64 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 117.132 2.271 . . . . 15.0 117.132 -175.182 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.648 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 1.4 tm? -48.02 -34.51 9.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.402 -2.073 . . . . 15.0 105.402 172.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.964 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.76 -50.8 8.84 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.505 -2.134 . . . . 15.0 111.191 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.873 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 37.0 p -79.77 -32.24 40.93 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 116.941 2.2 . . . . 15.0 116.941 -170.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -65.61 -9.71 29.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.176 -1.416 . . . . 15.0 107.176 170.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 33.0 ttpt -106.17 -49.45 3.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.636 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.841 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.4 pt -70.33 -11.54 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.7 0.286 . . . . 15.0 111.528 -175.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 4.4 pt-20 -62.2 -24.21 67.08 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.493 -0.322 . . . . 15.0 111.824 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -80.08 -17.68 52.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.672 0.748 . . . . 15.0 110.066 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.49 164.57 19.57 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.605 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 22.1 Cg_exo -65.91 -6.19 13.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.264 1.976 . . . . 15.0 110.661 168.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.3 t0 -62.12 -50.65 71.05 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 115.081 -0.963 . . . . 15.0 110.71 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.681 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.24 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.235 0.541 . . . . 15.0 110.969 -178.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -82.63 5.01 22.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.566 -0.743 . . . . 15.0 112.415 -171.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 75.1 mmtt -73.68 -34.95 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.415 . . . . 15.0 110.303 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 8' ' ' GLU . 41.7 mt -125.49 124.92 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -69.46 -31.98 70.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 15.0 111.331 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.21 104.59 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.519 0.676 . . . . 15.0 111.175 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.4 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 30.7 t70 -66.44 -27.65 67.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.708 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -67.65 -5.44 15.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.479 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.7 t -105.49 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.715 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -54.4 -48.5 71.51 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.458 -0.792 . . . . 15.0 111.931 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.55 -22.96 40.3 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.706 -1.198 . . . . 15.0 113.349 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.7 m -63.8 -9.81 16.72 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.675 -0.81 . . . . 15.0 110.655 168.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD22 ' HA ' ' A' ' 9' ' ' ARG . 31.9 mt -75.88 -50.48 14.94 Favored 'General case' 0 CA--C 1.46 -2.507 0 CA-C-O 125.936 2.779 . . . . 15.0 114.167 -174.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 27' ' ' TRP 0.544 0.0 OUTLIER -71.74 -32.4 67.69 Favored 'General case' 2 C--N 1.197 -6.033 1 CA-C-N 107.217 -4.538 . . . . 15.0 110.038 -165.828 . . . . . . . . 6 4 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.5 mt-10 -57.6 -48.2 80.05 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.881 -1.509 . . . . 15.0 109.834 173.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.656 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 50.2 mt-10 -67.17 -50.35 61.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 15.0 111.204 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.112 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 51.9 t90 -65.98 -21.19 66.4 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.295 1.045 . . . . 15.0 111.334 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 48.3 t -63.75 -50.24 69.85 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.03 -1.441 . . . . 15.0 109.604 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.49 41.5 2.2 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.932 -1.267 . . . . 15.0 109.932 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.9 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.861 -0.669 . . . . 15.0 109.931 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 124.895 2.283 . . . . 15.0 114.09 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.61 -28.59 51.55 Favored 'General case' 1 C--N 1.208 -5.552 1 CA-C-N 107.968 -4.196 . . . . 15.0 108.258 174.358 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.722 ' HA ' HD22 ' A' ' 52' ' ' LEU . 12.8 ptm180 -61.55 -50.6 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.072 -1.422 . . . . 15.0 110.95 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.931 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.0 m-80 -69.7 -10.05 56.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.931 -175.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.881 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.5 mt -66.6 -49.69 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.703 -0.681 . . . . 15.0 109.322 169.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.3 m-85 -72.26 -51.3 21.56 Favored 'General case' 0 C--O 1.179 -2.646 0 CA-C-O 117.164 -1.398 . . . . 15.0 112.345 -171.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.12 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.339 0.2 OUTLIER -39.72 -43.71 1.43 Allowed 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 125.042 1.337 . . . . 15.0 110.666 163.514 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -68.19 -46.19 71.32 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.044 -0.725 . . . . 15.0 109.044 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.121 HD13 ' HB2' ' A' ' 39' ' ' ASP . 8.4 mt -61.62 -32.11 72.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.383 -0.969 . . . . 15.0 108.383 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.069 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.0 m-30 -79.88 -25.93 40.47 Favored 'General case' 0 N--CA 1.39 -3.437 0 N-CA-C 107.52 -1.289 . . . . 15.0 107.52 -169.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.8 t70 -80.34 -48.95 12.19 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.644 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 12.4 ttm180 -58.15 -25.69 61.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.464 -1.244 . . . . 15.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -100.47 -5.91 26.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.874 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 9.0 mtpm? 54.23 70.35 0.62 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.091 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.952 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -80.14 165.18 22.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.888 0.851 . . . . 15.0 110.25 -179.115 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.592 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 13.4 m-20 -98.13 90.38 4.85 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 169.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.965 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -65.55 -31.87 73.16 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 113.168 -1.833 . . . . 15.0 111.921 -168.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 34.0 p90 -107.89 17.04 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 15.0 111.816 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.535 ' OG ' ' HB3' ' A' ' 22' ' ' ASP . 36.3 m -96.4 -79.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.96 0.41 . . . . 15.0 111.008 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -129.93 161.61 30.49 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-O 122.08 0.943 . . . . 15.0 108.516 174.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.5 t-105 -77.28 -51.64 10.55 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 113.666 -1.607 . . . . 15.0 109.162 167.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.912 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.357 13.2 p -81.72 -35.49 29.69 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 119.689 3.218 . . . . 15.0 119.689 -170.44 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.4 mm? -51.28 -26.11 6.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 120.591 1.541 . . . . 15.0 107.03 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.952 ' HB3' HD12 ' A' ' 21' ' ' LEU . 16.0 mp0 -81.9 -50.08 9.59 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 112.524 -2.125 . . . . 15.0 111.496 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.912 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 2.1 p -75.59 -49.82 17.41 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 116.614 2.079 . . . . 15.0 116.614 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -62.41 -9.49 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.088 -1.078 . . . . 15.0 108.088 171.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -83.52 -54.28 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.112 -1.404 . . . . 15.0 109.309 174.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.827 HD13 ' HE1' ' A' ' 16' ' ' PHE . 10.0 pt -85.27 -10.92 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.704 -0.68 . . . . 15.0 112.716 -171.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.685 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 6.1 pt-20 -61.73 -27.36 68.66 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.822 -0.549 . . . . 15.0 112.463 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.91 14.03 13.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.357 0.599 . . . . 15.0 109.918 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 6.5 m-20 -118.98 157.49 50.38 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.445 -0.798 . . . . 15.0 110.117 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.52 -1.46 9.79 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.296 1.997 . . . . 15.0 112.058 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.121 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.1 p-10 -80.17 -48.34 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.11 -0.496 . . . . 15.0 110.813 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -55.79 -33.68 64.6 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.329 0.585 . . . . 15.0 110.158 175.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -74.13 -1.42 20.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.326 -0.852 . . . . 15.0 112.425 -176.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.657 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 37.5 mmtm -70.02 -24.0 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 15.0 110.796 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 52' ' ' LEU . 38.3 mt -124.15 130.64 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.071 -0.715 . . . . 15.0 109.071 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.07 -57.91 9.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.654 0.74 . . . . 15.0 110.388 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.8 139.3 43.18 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.335 -1.302 . . . . 15.0 111.682 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.5 t70 -90.21 -17.24 27.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.876 -1.056 . . . . 15.0 110.214 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -64.93 -20.6 66.55 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.906 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.9 t -100.79 -20.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.491 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.764 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 94.9 mtt180 -61.83 -49.68 75.33 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.96 0.41 . . . . 15.0 111.317 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.67 -13.56 58.91 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.466 -0.771 . . . . 15.0 112.775 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -70.7 -9.75 57.88 Favored 'General case' 0 C--N 1.285 -2.212 0 C-N-CA 120.118 -0.633 . . . . 15.0 110.478 164.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.764 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.0 mt -77.28 -50.33 13.09 Favored 'General case' 0 CA--C 1.459 -2.555 0 CA-C-O 125.931 2.777 . . . . 15.0 114.041 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.603 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.543 0.0 OUTLIER -70.62 -34.8 72.5 Favored 'General case' 2 C--N 1.202 -5.839 1 CA-C-N 106.871 -4.695 . . . . 15.0 110.09 -166.872 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.1 mt-10 -55.5 -48.52 74.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.229 -1.35 . . . . 15.0 109.599 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 12.9 mm-40 -69.97 -50.42 41.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.938 -1.028 . . . . 15.0 111.994 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.12 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 39.2 t90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.102 0.953 . . . . 15.0 111.145 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.1 t -59.73 -50.15 74.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.823 -1.535 . . . . 15.0 109.794 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.49 38.85 3.0 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.697 -1.361 . . . . 15.0 109.697 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.968 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 6.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.697 -0.752 . . . . 15.0 110.309 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 CA--C 1.469 -2.148 0 CA-C-O 126.562 3.077 . . . . 15.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.96 -35.06 38.16 Favored 'General case' 1 C--N 1.197 -6.06 1 CA-C-N 104.552 -5.749 . . . . 15.0 110.26 -176.743 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.679 ' HA ' HD22 ' A' ' 52' ' ' LEU . 8.0 ptm180 -56.01 -50.6 70.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.905 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.954 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 35.1 m-80 -65.98 -15.62 63.17 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.611 -173.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.872 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.3 mt -63.59 -50.1 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 109.284 -0.636 . . . . 15.0 109.284 171.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.76 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -70.03 -50.82 37.47 Favored 'General case' 0 C--O 1.176 -2.795 0 CA-C-O 117.213 -1.375 . . . . 15.0 112.644 -170.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.41 0.4 OUTLIER -39.64 -47.85 2.04 Favored 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 125.542 1.537 . . . . 15.0 110.736 165.369 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.48 -43.72 89.35 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.558 -0.534 . . . . 15.0 109.558 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.2 mt -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.538 -0.912 . . . . 15.0 108.538 171.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.023 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.9 m-30 -75.21 -33.82 61.42 Favored 'General case' 0 N--CA 1.399 -3.023 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.137 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.44 -39.1 28.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.775 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 18' ' ' ARG . 32.5 ttt180 -62.65 -27.34 69.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.574 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.86 11.88 29.54 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.356 -0.979 . . . . 15.0 108.356 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 pttt 29.05 83.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 113.845 -1.525 . . . . 15.0 113.473 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.935 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.2 mt -83.99 -170.89 3.31 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.94 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 1.024 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 11.5 m-20 -124.98 93.31 3.85 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.029 -0.987 . . . . 15.0 108.406 165.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.905 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.57 -16.55 61.15 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 113.486 -1.688 . . . . 15.0 110.363 -170.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.79 -46.38 6.6 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.997 -1.001 . . . . 15.0 111.673 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.2 t -60.23 -79.78 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.957 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.34 165.67 14.0 Favored 'General case' 0 CA--C 1.459 -2.549 0 N-CA-C 107.643 -1.243 . . . . 15.0 107.643 175.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.2 t-105 -79.69 -52.02 8.48 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 113.7 -1.591 . . . . 15.0 109.682 167.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.844 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 9.0 p -81.89 -32.92 30.74 Favored 'General case' 0 N--CA 1.418 -2.025 0 N-CA-C 119.422 3.119 . . . . 15.0 119.422 -172.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 12.8 tp -49.7 -29.75 8.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.446 -1.687 . . . . 15.0 106.446 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 1.024 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.8 mp0 -81.96 -49.99 9.65 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.418 -2.174 . . . . 15.0 110.399 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.844 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 62.8 p -80.07 -48.24 13.58 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 117.048 2.24 . . . . 15.0 117.048 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 28' ' ' SER . 6.0 ptpp? -60.96 -9.58 4.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.891 0.769 . . . . 15.0 109.834 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -98.37 -29.39 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.123 178.135 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 30' ' ' GLN . 1.6 pt -85.82 -6.42 10.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 N-CA-C 108.967 -0.753 . . . . 15.0 108.967 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.987 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.5 tm-20 -45.28 -79.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.014 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -48.43 -25.07 1.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.114 -0.948 . . . . 15.0 113.018 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 68.5 m-20 -69.48 139.82 89.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.776 -0.453 . . . . 15.0 109.776 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 -8.67 8.12 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.629 2.219 . . . . 15.0 112.123 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.007 ' HB3' HD13 ' A' ' 15' ' ' LEU . 29.6 m-20 -76.06 -32.39 59.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.516 -0.765 . . . . 15.0 111.534 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.987 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -65.76 -32.95 74.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 172.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -89.34 17.36 6.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.313 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.76 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.0 mmtt -73.04 -28.03 62.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 173.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 52' ' ' LEU . 54.0 mt -117.29 136.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.36 -0.837 . . . . 15.0 109.722 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.36 -51.95 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 15.0 111.65 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.9 p-10 -88.58 150.5 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.665 0.745 . . . . 15.0 111.422 -174.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.608 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 27.0 t70 -107.34 27.1 9.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.546 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -114.65 -16.42 11.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.007 0.908 . . . . 15.0 110.481 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.8 t -95.04 -30.21 4.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.705 -1.134 . . . . 15.0 109.837 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.7 mtt180 -54.74 -47.78 73.4 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.913 -0.585 . . . . 15.0 112.146 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.42 -25.49 38.97 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.438 -0.905 . . . . 15.0 112.35 -177.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 16.0 m -64.7 -9.77 22.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.422 0.629 . . . . 15.0 110.178 169.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 17.4 mt -74.46 -50.26 19.04 Favored 'General case' 0 CA--C 1.459 -2.532 0 CA-C-O 125.698 2.666 . . . . 15.0 113.798 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.541 0.0 OUTLIER -77.54 -30.69 52.87 Favored 'General case' 2 C--N 1.199 -5.963 1 CA-C-N 107.313 -4.494 . . . . 15.0 110.41 -163.005 . . . . . . . . 6 4 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.3 mt-10 -63.89 -40.64 96.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.723 -1.581 . . . . 15.0 109.808 169.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.628 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 12.8 mm-40 -67.66 -49.96 60.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.371 -0.832 . . . . 15.0 110.982 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 26.2 t90 -68.96 -16.62 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.355 1.074 . . . . 15.0 111.354 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 52.4 t -62.53 -50.03 72.97 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.679 -1.6 . . . . 15.0 109.036 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.81 41.32 2.26 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.066 -1.213 . . . . 15.0 110.066 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.045 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.591 -0.805 . . . . 15.0 110.323 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 CA--C 1.477 -1.859 0 CA-C-O 125.682 2.658 . . . . 15.0 113.654 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -71.05 -24.13 62.28 Favored 'General case' 1 C--N 1.198 -6.0 1 CA-C-N 106.298 -4.955 . . . . 15.0 109.395 176.741 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 52' ' ' LEU . 31.5 ptt85 -61.29 -50.3 73.56 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.884 -1.053 . . . . 15.0 111.43 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.967 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 46.6 m-80 -66.81 -10.4 47.33 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.898 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.835 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -65.98 -45.97 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 170.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.0 m-85 -75.06 -50.77 15.36 Favored 'General case' 0 C--O 1.174 -2.919 0 CA-C-O 117.229 -1.367 . . . . 15.0 113.055 -171.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.115 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.356 0.1 OUTLIER -39.76 -44.61 1.6 Allowed 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 124.772 1.229 . . . . 15.0 110.204 163.151 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -64.68 -48.17 75.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.453 -0.573 . . . . 15.0 109.453 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.035 HD13 ' HB2' ' A' ' 39' ' ' ASP . 7.5 mt -61.73 -32.57 72.81 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.687 -0.857 . . . . 15.0 108.687 171.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.066 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.8 m-30 -77.73 -26.07 49.74 Favored 'General case' 0 N--CA 1.393 -3.281 0 N-CA-C 108.408 -0.96 . . . . 15.0 108.408 -167.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.42 -44.57 19.1 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.12 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.06 -30.63 62.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.131 -0.94 . . . . 15.0 110.494 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.541 ' HD2' HG22 ' A' ' 34' ' ' ILE . 13.1 m-30 -101.29 3.05 40.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.84 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 50.69 59.93 4.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.756 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' A' ' 30' ' ' GLN . 56.7 mt -81.28 146.68 30.29 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 122.734 1.254 . . . . 15.0 111.252 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.3 m-20 -77.31 91.04 3.78 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 112.386 -2.188 . . . . 15.0 106.355 169.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.999 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -66.14 -23.92 66.57 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.241 -171.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -99.79 -12.0 20.31 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.739 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -83.45 -84.05 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 15.0 111.799 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -124.99 163.96 21.18 Favored 'General case' 0 CA--C 1.466 -2.286 0 CA-C-O 122.21 1.005 . . . . 15.0 109.074 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.104 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.2 t-105 -78.51 -52.28 8.74 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 113.516 -1.674 . . . . 15.0 109.792 168.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.874 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.337 6.1 p -81.67 -34.58 30.65 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 118.937 2.939 . . . . 15.0 118.937 -171.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -49.86 -28.44 6.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.28 -1.748 . . . . 15.0 106.28 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 1.004 ' HB3' HD13 ' A' ' 21' ' ' LEU . 12.9 mp0 -81.86 -50.21 9.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 112.771 -2.013 . . . . 15.0 110.213 173.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.874 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 29.2 p -80.26 -34.76 36.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.469 2.396 . . . . 15.0 117.469 -176.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.3 ptmm? -67.39 -9.55 42.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.433 -1.321 . . . . 15.0 107.433 170.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 24.3 ttmm -95.7 -49.08 5.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.501 -1.681 . . . . 15.0 110.158 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 30' ' ' GLN . 2.7 pt -81.97 -5.83 9.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 121.262 0.553 . . . . 15.0 110.625 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 27.5 tt0 -44.67 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.181 1.178 . . . . 15.0 114.181 -174.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.53 -14.17 4.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.77 -1.105 . . . . 15.0 113.185 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.95 158.89 85.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 15.0 111.064 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.66 -8.91 23.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.813 2.342 . . . . 15.0 112.611 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.035 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.3 p-10 -79.96 -42.53 23.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.658 -0.246 . . . . 15.0 110.504 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.843 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -49.08 -40.07 30.34 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.494 0.664 . . . . 15.0 110.47 174.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -84.31 18.2 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.677 . . . . 15.0 112.41 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 67.7 mmtt -81.86 -30.1 32.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 15.0 111.398 177.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.853 HG12 ' CE1' ' A' ' 12' ' ' PHE . 28.9 mm -97.84 137.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.821 -0.352 . . . . 15.0 110.504 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.658 ' HD3' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -60.28 -22.71 63.45 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.855 -0.611 . . . . 15.0 112.011 -177.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.78 ' H ' HG22 ' A' ' 43' ' ' ILE . 27.9 m-20 -127.03 134.94 50.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.671 0.272 . . . . 15.0 110.99 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 32.1 t70 -68.72 -26.63 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.977 -0.749 . . . . 15.0 108.977 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -67.66 -9.27 41.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.008 -0.996 . . . . 15.0 111.518 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' HG21 ' A' ' 43' ' ' ILE . 53.5 t -106.59 -23.48 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.791 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.7 mtt180 -58.88 -50.15 75.09 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.002 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.104 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -22.39 41.36 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 119.035 -1.066 . . . . 15.0 112.122 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.4 m -60.55 -15.79 31.1 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.011 -0.676 . . . . 15.0 110.336 165.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.791 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.26 -51.44 8.92 Favored 'General case' 0 CA--C 1.461 -2.451 0 CA-C-O 125.492 2.568 . . . . 15.0 113.746 -171.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' HD1' ' HG2' ' A' ' 54' ' ' GLU 0.519 0.1 OUTLIER -40.29 -44.84 1.99 Allowed 'General case' 2 C--N 1.209 -5.535 1 CA-C-N 106.793 -4.73 . . . . 15.0 112.079 171.535 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.575 ' HG2' ' HD1' ' A' ' 53' ' ' PHE . 2.9 mt-10 -62.93 -49.86 73.09 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.514 -0.767 . . . . 15.0 110.588 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB3' HH11 ' A' ' 9' ' ' ARG . 5.7 mm-40 -60.76 -50.37 73.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.123 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.115 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 37.7 t90 -63.29 -30.43 71.57 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.579 1.18 . . . . 15.0 111.3 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 46.5 t -60.25 -49.1 78.96 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.098 -1.865 . . . . 15.0 109.415 -177.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.76 36.95 3.96 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.327 -1.109 . . . . 15.0 110.327 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.771 -0.714 . . . . 15.0 109.933 -173.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.58 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.0 t70 . . . . . 0 CA--C 1.462 -2.428 0 CA-C-O 126.666 3.127 . . . . 15.0 110.477 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.95 -40.33 96.19 Favored 'General case' 1 C--N 1.196 -6.093 1 CA-C-N 103.732 -6.122 . . . . 15.0 110.578 -178.772 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HD3' ' OE1' ' A' ' 55' ' ' GLU . 11.4 ptp180 -66.37 -47.85 72.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.061 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.948 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 9.5 m-80 -66.69 -17.41 64.84 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 123.448 0.699 . . . . 15.0 109.622 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.889 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 40.3 mm -61.92 -44.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.924 169.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.4 m-85 -72.52 -51.11 21.35 Favored 'General case' 0 C--O 1.175 -2.862 0 CA-C-O 117.028 -1.463 . . . . 15.0 111.976 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.105 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.39 0.2 OUTLIER -39.55 -43.64 1.32 Allowed 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 125.193 1.397 . . . . 15.0 110.256 163.493 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.683 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 9.9 tp10 -62.94 -50.49 70.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.244 1.021 . . . . 15.0 109.859 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.028 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.3 mt -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 113.469 -1.696 . . . . 15.0 108.775 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.7 m-30 -80.1 -24.55 40.48 Favored 'General case' 0 N--CA 1.387 -3.575 0 N-CA-C 107.2 -1.407 . . . . 15.0 107.2 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 13' ' ' PHE . 32.1 t70 -80.44 -45.53 17.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.25 -0.886 . . . . 15.0 109.876 170.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm180 -50.17 -34.52 22.76 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.911 -1.495 . . . . 15.0 111.506 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -113.52 8.01 17.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.777 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 50.43 74.51 0.22 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 114.858 -1.065 . . . . 15.0 111.742 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.915 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -82.68 167.8 17.87 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.622 0.725 . . . . 15.0 110.806 -177.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.46 96.61 8.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.553 -1.647 . . . . 15.0 106.553 163.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.937 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.67 -26.38 66.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.704 -1.589 . . . . 15.0 111.156 -171.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.16 -49.26 7.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 15.0 112.007 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -45.87 -79.61 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -168.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.77 155.02 45.62 Favored 'General case' 0 CA--C 1.467 -2.214 0 CA-C-O 121.949 0.881 . . . . 15.0 109.485 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.0 t-105 -69.77 -51.67 31.9 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 113.449 -1.705 . . . . 15.0 109.421 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.871 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 2.9 p -81.32 -25.18 36.64 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 117.768 2.507 . . . . 15.0 117.768 -173.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.626 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.4 OUTLIER -46.84 -35.18 6.04 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 105.348 -2.093 . . . . 15.0 105.348 171.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.915 ' HB3' HD12 ' A' ' 21' ' ' LEU . 7.6 mm-40 -81.63 -50.63 9.1 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.857 -1.974 . . . . 15.0 111.568 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.871 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 5.5 p -73.83 -44.07 56.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.628 2.084 . . . . 15.0 116.628 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.722 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.63 -9.8 15.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.262 0.937 . . . . 15.0 109.051 178.573 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 20.3 ptmt -107.71 -42.76 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.292 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.725 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.1 pt -76.48 -12.52 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.297 -177.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.9 pt-20 -62.04 -27.29 68.78 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.823 0.344 . . . . 15.0 111.826 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -81.22 -2.39 48.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.281 0.562 . . . . 15.0 110.393 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -101.34 143.39 26.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.5 -0.926 . . . . 15.0 108.5 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.61 -3.9 10.01 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.387 2.058 . . . . 15.0 111.223 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.119 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 39.9 m-20 -79.59 -29.66 41.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.813 -1.085 . . . . 15.0 111.275 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -65.4 -34.42 78.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 171.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -84.71 9.78 13.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.812 -1.085 . . . . 15.0 110.844 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 1.119 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mptt -63.09 -32.32 73.66 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.179 0.514 . . . . 15.0 109.764 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.503 HD12 HD11 ' A' ' 52' ' ' LEU . 69.3 mt -117.49 138.15 49.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.318 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -68.29 -39.03 82.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.436 -0.347 . . . . 15.0 111.887 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.73 125.83 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.375 0.607 . . . . 15.0 112.015 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 23.0 t70 -78.05 -26.05 48.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.307 -0.86 . . . . 15.0 110.247 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -63.9 -10.79 22.79 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.483 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.4 t -105.93 -25.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.482 177.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.5 mtt180 -58.05 -43.92 87.15 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.666 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.73 -20.92 41.73 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 113.994 1.109 . . . . 15.0 113.994 -179.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -65.2 -9.82 26.6 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.812 -0.755 . . . . 15.0 111.116 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 16.8 mt -73.9 -50.41 20.32 Favored 'General case' 0 CA--C 1.457 -2.601 0 CA-C-O 125.775 2.702 . . . . 15.0 114.273 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 57' ' ' CYS 0.541 0.0 OUTLIER -72.61 -31.84 65.48 Favored 'General case' 2 C--N 1.199 -5.978 1 CA-C-N 107.344 -4.48 . . . . 15.0 110.072 -165.635 . . . . . . . . 6 4 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 2.3 mt-10 -57.09 -47.66 80.49 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.836 -1.529 . . . . 15.0 109.905 173.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.635 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 36.2 mt-10 -68.71 -50.3 51.93 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.282 -176.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.105 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 48.4 t90 -63.93 -24.29 67.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.183 0.992 . . . . 15.0 111.438 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.0 t -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.654 -1.612 . . . . 15.0 109.743 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.01 43.61 1.68 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 109.874 -1.29 . . . . 15.0 109.874 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.847 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.452 -0.785 . . . . 15.0 110.082 -174.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 123.748 1.737 . . . . 15.0 115.572 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.706 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.49 -37.25 28.22 Favored 'General case' 1 C--N 1.241 -4.123 0 CA-C-N 110.797 -2.911 . . . . 15.0 107.772 174.56 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.645 ' HA ' HD22 ' A' ' 52' ' ' LEU . 34.1 ptt85 -66.47 -50.3 63.76 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.286 -2.234 . . . . 15.0 112.112 -168.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.898 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 41.4 m-80 -65.3 -13.04 57.53 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.485 -173.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.836 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.4 mt -66.47 -50.06 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.817 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.4 m-85 -69.15 -50.61 46.31 Favored 'General case' 0 C--O 1.17 -3.12 0 CA-C-O 117.187 -1.387 . . . . 15.0 112.732 -170.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.118 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.447 0.7 OUTLIER -39.47 -44.77 1.44 Allowed 'General case' 0 N--CA 1.512 2.652 0 C-N-CA 125.738 1.615 . . . . 15.0 111.085 165.985 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.94 -45.23 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.291 -1.003 . . . . 15.0 108.291 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.902 HD13 ' HB3' ' A' ' 39' ' ' ASP . 5.6 mt -64.93 -30.62 71.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.121 171.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.049 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.2 m-30 -75.54 -30.08 59.62 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 -170.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -80.49 -41.89 23.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.48 169.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 18' ' ' ARG . 14.1 ttm180 -55.69 -27.72 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.235 -0.893 . . . . 15.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 15' ' ' LEU . 79.3 m-85 -114.15 9.52 17.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.116 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 44.71 77.96 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.937 -1.029 . . . . 15.0 112.906 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD13 ' HB3' ' A' ' 30' ' ' GLN . 17.4 mt -87.17 -168.78 2.36 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.89 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.916 ' H ' ' CG ' ' A' ' 30' ' ' GLN . 15.8 m-20 -130.8 107.19 8.96 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.031 -1.47 . . . . 15.0 107.031 168.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -82.31 -6.74 59.45 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 114.119 -1.4 . . . . 15.0 110.141 -162.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 66.6 t80 -127.85 -28.81 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.245 -1.343 . . . . 15.0 110.841 -173.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 19.7 m -60.25 -74.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.573 -0.74 . . . . 15.0 111.61 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.16 164.71 27.06 Favored 'General case' 0 CA--C 1.461 -2.451 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 174.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.7 t-105 -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.097 -1.41 . . . . 15.0 110.312 168.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.835 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.316 2.0 p -81.49 -26.89 34.83 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 118.952 2.945 . . . . 15.0 118.952 -170.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.4 tt -52.05 -30.34 25.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 121.655 2.025 . . . . 15.0 106.073 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.916 ' CG ' ' H ' ' A' ' 22' ' ' ASP . 3.8 mp0 -81.77 -47.3 13.05 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 112.111 -2.313 . . . . 15.0 109.564 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.015 ' HA ' HD11 ' A' ' 34' ' ' ILE 0.253 60.4 p -80.28 -23.98 40.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 118.597 2.814 . . . . 15.0 118.597 -179.135 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HG2' ' O ' ' A' ' 28' ' ' SER . 22.0 ptmt -76.8 -9.98 59.06 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.082 -1.451 . . . . 15.0 107.082 168.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.4 ttmp? -88.61 -70.75 0.63 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.508 -1.678 . . . . 15.0 112.228 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.015 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -57.85 -27.96 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 113.808 1.04 . . . . 15.0 113.808 -177.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.875 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tm-20 -28.54 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.044 1.338 . . . . 15.0 114.31 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.402 HD22 ' C ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -61.74 29.32 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.381 1.252 . . . . 15.0 114.381 178.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' GLU . 19.7 m-20 -123.4 142.22 38.21 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' O ' ' HE3' ' A' ' 42' ' ' LYS . 50.3 Cg_exo -55.31 -24.05 40.66 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.064 2.51 . . . . 15.0 112.871 -176.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.902 ' HB3' HD13 ' A' ' 15' ' ' LEU . 17.1 m-20 -71.51 -43.37 66.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.565 -175.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.875 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 82.3 t80 -73.22 -10.08 59.39 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.718 -0.614 . . . . 15.0 109.899 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.25 1.28 57.31 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.628 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.817 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 8.0 mmpt? -54.61 -53.72 50.97 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.111 0.481 . . . . 15.0 110.523 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 8' ' ' GLU . 44.8 mm -91.02 130.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.259 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -59.32 -51.38 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.805 . . . . 15.0 111.413 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -83.06 123.25 29.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.271 0.558 . . . . 15.0 111.235 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.7 t70 -76.26 -29.01 57.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.398 -0.819 . . . . 15.0 110.584 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 10.7 t -73.24 2.02 8.21 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.249 0.547 . . . . 15.0 111.144 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.0 t -106.73 -28.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 96.0 mtt180 -57.3 -42.81 82.48 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 115.195 -0.911 . . . . 15.0 111.642 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.51 -31.77 37.06 Favored 'General case' 0 N--CA 1.432 -1.367 0 C-N-CA 119.171 -1.012 . . . . 15.0 112.791 -176.238 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.3 m -63.7 -9.78 15.88 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.341 0.591 . . . . 15.0 110.157 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 25.3 mt -70.6 -50.17 39.99 Favored 'General case' 0 CA--C 1.464 -2.341 0 CA-C-O 125.39 2.519 . . . . 15.0 113.961 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.75 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.533 0.0 OUTLIER -79.87 -28.76 39.94 Favored 'General case' 2 C--N 1.204 -5.723 1 CA-C-N 107.955 -4.202 . . . . 15.0 110.624 -158.567 . . . . . . . . 6 4 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.609 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 1.6 mt-10 -60.76 -36.8 79.86 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 112.935 -1.939 . . . . 15.0 109.919 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.65 -50.17 39.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.289 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.118 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 23.5 t90 -69.62 -14.42 62.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.596 1.188 . . . . 15.0 111.223 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 24' ' ' PHE . 14.2 t -62.85 -50.24 71.71 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 113.782 -1.554 . . . . 15.0 110.124 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.3 26.85 21.57 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.025 -1.23 . . . . 15.0 110.025 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.048 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.1 tp10 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.225 -0.988 . . . . 15.0 110.058 -173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 CA--C 1.47 -2.118 0 CA-C-O 126.911 3.243 . . . . 15.0 110.189 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.564 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.79 -30.71 40.68 Favored 'General case' 1 C--N 1.197 -6.033 1 CA-C-N 103.694 -6.139 . . . . 15.0 111.05 -176.562 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 52' ' ' LEU . 18.1 ptt180 -57.23 -50.34 73.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.513 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.93 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 43.1 m-80 -62.72 -19.72 64.2 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.943 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.844 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.0 mt -58.98 -49.44 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.794 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 3.7 m-85 -70.38 -51.02 32.8 Favored 'General case' 0 C--O 1.17 -3.112 0 CA-C-O 116.621 -1.657 . . . . 15.0 112.385 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.14 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.368 0.3 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 N--CA 1.511 2.584 0 C-N-CA 125.423 1.489 . . . . 15.0 110.631 165.239 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.38 -43.26 86.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.044 -0.354 . . . . 15.0 110.044 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.056 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.7 mt -64.71 -31.61 72.91 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 170.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.5 m-30 -75.91 -29.86 58.55 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 108.453 -0.943 . . . . 15.0 108.453 -169.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.23 -46.12 16.81 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.995 -1.002 . . . . 15.0 110.803 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.92 -28.91 62.58 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.927 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -111.09 11.56 21.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.08 -0.711 . . . . 15.0 109.08 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 3.6 mptp? 48.28 84.51 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 114.564 -1.198 . . . . 15.0 112.972 175.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.946 HD13 ' HB3' ' A' ' 30' ' ' GLN . 48.5 mt -97.45 147.85 23.8 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 122.487 1.137 . . . . 15.0 111.36 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 5.2 m-20 -87.06 81.99 7.88 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 112.669 -2.06 . . . . 15.0 105.818 168.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.967 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -53.65 -19.81 4.49 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.39 -2.187 . . . . 15.0 112.985 -163.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -108.47 -3.71 17.91 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 t -79.4 -76.56 0.2 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.861 0.362 . . . . 15.0 111.206 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -136.07 161.9 34.42 Favored 'General case' 0 CA--C 1.456 -2.67 0 N-CA-C 107.798 -1.186 . . . . 15.0 107.798 174.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.15 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 5.4 t-105 -67.53 -52.9 33.42 Favored 'General case' 0 C--N 1.269 -2.923 0 C-N-CA 117.096 -1.842 . . . . 15.0 109.957 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.865 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.448 2.7 p -82.86 -30.62 28.48 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 120.556 3.539 . . . . 15.0 120.556 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.6 OUTLIER -48.02 -34.05 8.85 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 105.524 -2.028 . . . . 15.0 105.524 177.488 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.946 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -82.28 -50.75 8.61 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 112.783 -2.008 . . . . 15.0 111.704 173.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.725 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 95.1 p -74.1 -14.65 61.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.327 1.603 . . . . 15.0 115.327 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.865 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 11.0 mmmm -65.56 -9.54 27.36 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 166.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 8.7 mtpm? -102.55 -9.88 19.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.312 -171.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.688 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -113.49 -27.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.706 -1.134 . . . . 15.0 109.093 173.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.705 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 23.3 tt0 -27.68 -83.78 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.966 1.307 . . . . 15.0 114.471 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 15.0 112.154 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 1.9 m-20 -93.89 141.92 24.37 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.955 -0.757 . . . . 15.0 108.955 174.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.68 -25.72 35.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.96 2.44 . . . . 15.0 113.053 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 1.056 ' HB3' HD13 ' A' ' 15' ' ' LEU . 16.5 m-20 -80.04 -25.57 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.496 0.554 . . . . 15.0 112.496 -174.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.705 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 48.2 t80 -71.27 -23.0 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -88.52 7.95 30.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.215 -0.902 . . . . 15.0 110.827 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 32.1 mmtp -66.67 -28.54 68.54 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.422 -0.585 . . . . 15.0 109.422 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 12' ' ' PHE . 37.6 mm -110.67 126.88 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.514 -0.767 . . . . 15.0 109.792 175.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.3 -59.69 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.966 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.8 m-20 -80.29 116.44 20.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.471 -0.786 . . . . 15.0 111.22 -174.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 24.3 t70 -63.21 -29.88 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.454 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -2.46 17.57 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.305 0.574 . . . . 15.0 110.878 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 58.0 t -104.99 -24.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 15.0 109.792 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -64.07 -48.21 77.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.35 0.595 . . . . 15.0 111.003 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.15 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.75 -9.86 59.77 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.273 1.035 . . . . 15.0 113.28 178.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.707 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 21.4 m -74.06 -9.42 58.61 Favored 'General case' 0 C--N 1.277 -2.566 0 O-C-N 121.709 -0.619 . . . . 15.0 110.076 161.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 9' ' ' ARG . 47.2 mt -77.54 -50.07 13.37 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-O 125.191 2.424 . . . . 15.0 113.847 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.7 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.52 0.0 OUTLIER -79.91 -32.87 40.21 Favored 'General case' 2 C--N 1.204 -5.747 0 CA-C-N 108.666 -3.879 . . . . 15.0 109.4 -162.311 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.707 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 4.1 pt-20 -59.13 -33.85 71.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 112.729 -2.032 . . . . 15.0 110.597 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 26.9 mt-10 -80.34 -50.46 10.12 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 111.932 0.345 . . . . 15.0 111.932 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.14 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 30.7 t90 -62.72 -19.92 64.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.068 0.937 . . . . 15.0 111.404 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.4 t -62.98 -49.99 72.51 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.129 -1.396 . . . . 15.0 110.171 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.43 45.78 1.27 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.817 -1.313 . . . . 15.0 109.817 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.918 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.592 -0.718 . . . . 15.0 109.903 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 CA--C 1.466 -2.271 0 CA-C-O 126.491 3.043 . . . . 15.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.485 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -74.83 -25.24 58.86 Favored 'General case' 1 C--N 1.197 -6.041 1 CA-C-N 104.6 -5.727 . . . . 15.0 109.26 -178.939 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.9 ptt180 -54.01 -50.41 66.68 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.74 -1.118 . . . . 15.0 110.567 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.937 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 36.7 m-80 -62.57 -20.53 64.79 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.093 -175.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.853 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.0 mm -61.3 -44.18 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 174.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.765 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -77.09 -50.76 12.32 Favored 'General case' 0 C--O 1.172 -3.022 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.835 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.097 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.374 0.2 OUTLIER -39.17 -44.33 1.19 Allowed 'General case' 0 N--CA 1.511 2.616 0 CA-C-N 120.404 1.456 . . . . 15.0 110.117 164.639 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 1.1 tm-20 -64.71 -48.12 75.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.174 -0.676 . . . . 15.0 109.174 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.853 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.6 mt -63.78 -31.04 72.08 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.39 171.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.031 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.1 m-30 -77.49 -26.36 51.2 Favored 'General case' 0 N--CA 1.398 -3.038 0 N-CA-C 107.809 -1.182 . . . . 15.0 107.809 -168.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.23 -45.9 17.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.813 -1.085 . . . . 15.0 110.11 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 18' ' ' ARG . 41.3 ttp180 -62.6 -21.88 65.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.739 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.82 7.34 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.731 -0.47 . . . . 15.0 109.731 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 45.54 67.53 0.72 Allowed 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.722 -1.126 . . . . 15.0 112.571 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.932 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.4 mt -81.87 144.41 31.02 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 122.296 1.046 . . . . 15.0 111.162 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -82.91 86.37 6.96 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 113.007 -1.906 . . . . 15.0 106.36 170.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -59.08 -27.77 65.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.084 -1.871 . . . . 15.0 111.854 -165.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -96.48 -14.97 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.621 0.6 . . . . 15.0 112.621 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -69.44 -74.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.136 0.493 . . . . 15.0 111.405 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -148.85 161.62 41.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 107.802 -1.185 . . . . 15.0 107.802 179.198 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.155 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.5 t-105 -68.87 -52.44 29.65 Favored 'General case' 0 C--N 1.271 -2.826 0 C-N-CA 116.963 -1.895 . . . . 15.0 109.455 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.823 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.373 3.0 p -82.44 -24.34 34.36 Favored 'General case' 0 N--CA 1.423 -1.798 0 N-CA-C 119.718 3.229 . . . . 15.0 119.718 -176.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 4.1 tt -51.85 -33.16 35.06 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 105.087 -2.19 . . . . 15.0 105.087 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.932 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -82.43 -50.21 9.12 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.444 -2.162 . . . . 15.0 111.279 175.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.823 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 11.2 p -78.55 -10.14 59.61 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 117.207 2.299 . . . . 15.0 117.207 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.01 -9.82 59.72 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 169.166 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 48.2 mmtt -85.49 -68.41 0.73 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.054 -1.884 . . . . 15.0 111.029 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.95 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -57.76 -31.58 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -176.205 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.778 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -38.12 117.15 0.58 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.205 1.003 . . . . 15.0 112.599 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 87.16 -0.06 0.52 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 112.087 -2.324 . . . . 15.0 111.249 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -90.39 143.17 28.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.006 -0.739 . . . . 15.0 109.006 170.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.94 -27.57 64.17 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.911 2.408 . . . . 15.0 113.018 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.2 m-20 -62.66 -48.77 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.174 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.95 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 54.5 t80 -70.09 -11.35 60.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.826 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -94.38 4.4 53.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.623 -0.262 . . . . 15.0 111.568 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.624 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 64.2 mmtt -63.35 -44.81 93.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.63 0.253 . . . . 15.0 111.292 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.765 HG12 ' CE1' ' A' ' 12' ' ' PHE . 36.2 mm -89.26 131.07 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -58.26 -43.92 88.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.035 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.55 123.55 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.443 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 22.4 t70 -77.52 -21.98 51.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.126 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -74.39 -2.42 25.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.335 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 87.2 t -110.43 -24.57 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.244 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 95.6 mtt180 -56.29 -49.77 73.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.29 0.567 . . . . 15.0 111.422 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.155 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.95 -10.28 59.73 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 113.882 1.067 . . . . 15.0 113.882 177.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.8 m -76.83 -9.73 58.88 Favored 'General case' 0 C--N 1.28 -2.455 0 C-N-CA 119.463 -0.895 . . . . 15.0 110.138 163.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' ARG . 32.7 mt -75.58 -44.46 43.04 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 125.191 2.424 . . . . 15.0 114.126 -174.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 54' ' ' GLU 0.517 0.0 OUTLIER -79.74 -28.94 40.43 Favored 'General case' 2 C--N 1.204 -5.757 0 CA-C-N 108.534 -3.939 . . . . 15.0 110.038 -160.854 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.58 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -56.06 -38.13 70.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.065 -1.879 . . . . 15.0 109.81 171.362 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.05 -50.69 18.54 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.568 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.097 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.2 t90 -68.25 -18.93 64.67 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.039 . . . . 15.0 111.01 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.23 -47.78 75.59 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 113.409 -1.723 . . . . 15.0 109.258 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.73 40.29 2.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.12 -1.192 . . . . 15.0 110.12 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.957 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.085 -173.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 CA--C 1.471 -2.069 0 CA-C-O 126.602 3.096 . . . . 15.0 111.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.59 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.94 -18.59 50.08 Favored 'General case' 1 C--N 1.196 -6.101 1 CA-C-N 104.775 -5.648 . . . . 15.0 110.564 179.775 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.802 ' HA ' HD22 ' A' ' 52' ' ' LEU . 15.2 ptt180 -58.45 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.505 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.935 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 39.1 m-80 -63.45 -22.46 66.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.125 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.817 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.7 mt -60.43 -46.9 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.862 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 2.7 m-85 -70.48 -50.76 34.67 Favored 'General case' 0 C--O 1.173 -2.946 0 CA-C-O 116.655 -1.64 . . . . 15.0 112.291 -174.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.08 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.4 0.4 OUTLIER -39.32 -47.03 1.67 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.024 1.33 . . . . 15.0 110.439 164.14 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.25 -39.34 86.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.936 0.398 . . . . 15.0 110.256 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 11.1 mt -70.58 -28.9 65.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 171.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.056 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.0 m-30 -79.86 -25.3 40.75 Favored 'General case' 0 N--CA 1.393 -3.302 0 N-CA-C 106.804 -1.554 . . . . 15.0 106.804 -171.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' PHE . 31.9 t70 -80.33 -46.55 15.93 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.202 . . . . 15.0 109.864 171.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.8 ttp180 -59.05 -24.61 63.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.598 -1.183 . . . . 15.0 111.183 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -105.1 -2.59 24.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.592 -0.443 . . . . 15.0 109.826 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.599 ' NZ ' ' HB2' ' A' ' 20' ' ' LYS . 5.2 mtmp? 54.39 72.53 0.45 Allowed 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.457 -0.792 . . . . 15.0 110.654 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -82.63 166.13 19.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 121.679 0.752 . . . . 15.0 110.456 -177.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.591 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 19.0 m-20 -96.32 86.09 4.12 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.817 -1.549 . . . . 15.0 106.817 166.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.975 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.52 -31.21 71.95 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 112.772 -2.013 . . . . 15.0 110.941 -169.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -101.13 -2.29 31.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.847 -0.615 . . . . 15.0 112.619 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 t -80.74 -79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.087 0.47 . . . . 15.0 110.773 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -144.53 153.1 41.49 Favored 'General case' 0 CA--C 1.467 -2.236 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.127 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 14.8 t-105 -67.23 -51.41 53.52 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 113.845 -1.525 . . . . 15.0 109.233 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.822 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.268 2.3 p -81.28 -23.84 37.65 Favored 'General case' 0 N--CA 1.416 -2.128 0 N-CA-C 117.414 2.376 . . . . 15.0 117.414 -173.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.7 tt -53.52 -28.72 32.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.532 -2.025 . . . . 15.0 105.532 173.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.919 ' HB3' HD12 ' A' ' 21' ' ' LEU . 9.3 mm-40 -81.67 -50.32 9.45 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 113.179 -1.828 . . . . 15.0 110.569 173.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.067 ' HA ' HD11 ' A' ' 34' ' ' ILE . 54.4 p -78.64 -24.71 45.11 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 117.866 2.543 . . . . 15.0 117.866 -175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 28' ' ' SER . 9.3 ptmm? -80.16 -10.69 59.77 Favored 'General case' 0 C--N 1.313 -1.022 0 O-C-N 120.609 -1.307 . . . . 15.0 107.496 166.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 62.7 tttp -86.02 -67.59 0.8 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.76 -1.564 . . . . 15.0 112.105 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.067 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -52.97 -45.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 120.923 0.392 . . . . 15.0 111.774 -177.314 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.795 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.4 tm-20 17.92 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.534 1.934 . . . . 15.0 114.934 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 6.9 p30 -72.82 5.53 3.15 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.227 1.195 . . . . 15.0 114.227 -172.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.03 144.16 67.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.015 -0.428 . . . . 15.0 110.597 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.98 -27.74 55.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.322 2.681 . . . . 15.0 112.407 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 18' ' ' ARG . 1.1 m-20 -62.2 -50.01 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.321 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.908 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 73.7 t80 -74.99 -10.16 59.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.107 0.48 . . . . 15.0 110.722 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 36' ' ' ASN . 17.3 m-30 -100.16 10.58 41.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.444 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.862 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.3 mmtt -69.84 -21.97 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.207 0.527 . . . . 15.0 110.199 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.75 HD12 HD11 ' A' ' 52' ' ' LEU . 72.0 mt -122.17 125.96 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.818 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.609 . . . . 15.0 112.392 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.58 119.44 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.205 0.526 . . . . 15.0 111.624 -174.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 26.4 t70 -72.78 -25.51 61.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.09 -0.959 . . . . 15.0 110.316 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.06 1.28 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 15.0 111.984 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.4 t -107.03 -26.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 172.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.9 mtt180 -60.34 -48.76 80.35 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.856 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.127 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.82 -14.04 58.4 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 114.057 1.132 . . . . 15.0 114.057 179.313 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -71.62 -9.68 58.62 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.56 -0.856 . . . . 15.0 110.378 165.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.1 mt -76.97 -50.4 13.29 Favored 'General case' 0 CA--C 1.46 -2.504 0 CA-C-O 125.959 2.79 . . . . 15.0 113.713 -174.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.852 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.537 0.0 OUTLIER -70.24 -30.63 67.73 Favored 'General case' 2 C--N 1.2 -5.897 1 CA-C-N 107.108 -4.587 . . . . 15.0 110.193 -165.627 . . . . . . . . 6 4 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -55.87 -50.12 71.48 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.841 -1.527 . . . . 15.0 109.77 172.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.72 -48.81 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.154 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.08 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 61.1 t90 -71.39 -20.46 62.14 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.177 0.989 . . . . 15.0 111.656 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 51.1 t -69.76 -50.05 47.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.822 -1.081 . . . . 15.0 109.232 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.79 41.18 2.27 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.078 -1.209 . . . . 15.0 110.078 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.832 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.701 -0.749 . . . . 15.0 109.43 -173.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 CA--C 1.468 -2.18 0 CA-C-O 126.657 3.122 . . . . 15.0 110.775 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -68.08 -30.61 69.84 Favored 'General case' 1 C--N 1.199 -5.96 2 CA-C-N 103.788 -6.096 . . . . 15.0 109.969 -179.938 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.682 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.4 ptt180 -54.29 -50.14 68.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.113 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.938 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 26.2 m-80 -61.87 -19.86 63.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.663 -0.698 . . . . 15.0 110.904 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 70.4 mt -60.47 -45.69 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.386 -0.598 . . . . 15.0 109.386 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.709 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -73.63 -51.08 17.99 Favored 'General case' 0 C--O 1.176 -2.803 0 CA-C-O 116.828 -1.558 . . . . 15.0 112.447 -173.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.094 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.341 0.2 OUTLIER -39.73 -44.19 1.52 Allowed 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 124.822 1.249 . . . . 15.0 110.155 163.828 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.73 -50.01 68.57 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.504 0.669 . . . . 15.0 109.459 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 39' ' ' ASP . 12.2 mt -60.55 -31.6 70.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.89 -1.05 . . . . 15.0 108.835 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.047 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.3 m-30 -79.98 -26.58 39.87 Favored 'General case' 0 N--CA 1.389 -3.489 0 N-CA-C 107.575 -1.269 . . . . 15.0 107.575 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' PHE . 29.5 t70 -80.54 -45.22 17.78 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.927 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 18' ' ' ARG . 32.2 ttt85 -60.58 -24.9 65.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.592 -1.186 . . . . 15.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -104.74 1.02 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.298 -1.001 . . . . 15.0 108.298 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 39.59 83.17 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.978 -1.465 . . . . 15.0 111.941 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -86.32 164.42 17.11 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 114.295 -1.321 . . . . 15.0 110.073 -177.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.695 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 15.7 m-20 -90.56 79.61 6.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.84 -28.87 70.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.018 -2.356 . . . . 15.0 110.876 -169.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -106.6 28.74 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.838 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -117.77 -80.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -142.06 154.56 45.05 Favored 'General case' 0 CA--C 1.47 -2.119 0 CA-C-O 121.777 0.799 . . . . 15.0 109.092 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.138 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.8 t-105 -68.53 -51.48 42.56 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.677 -1.602 . . . . 15.0 109.494 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.846 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.284 2.6 p -81.31 -23.76 37.62 Favored 'General case' 0 N--CA 1.412 -2.359 0 N-CA-C 117.005 2.224 . . . . 15.0 117.005 -173.147 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 tp -49.2 -32.57 10.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.096 -1.816 . . . . 15.0 106.096 170.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.986 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.8 -50.44 9.23 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.63 -2.077 . . . . 15.0 111.396 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.978 ' HA ' HD11 ' A' ' 34' ' ' ILE . 16.4 p -79.1 -20.78 47.84 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 117.529 2.418 . . . . 15.0 117.529 -175.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -80.24 -15.61 56.6 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.058 -1.46 . . . . 15.0 107.058 165.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 52.7 tttp -84.01 -63.08 1.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 113.394 -1.73 . . . . 15.0 112.516 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.978 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -56.67 -34.77 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -176.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.919 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -36.62 139.2 0.19 Allowed 'General case' 0 N--CA 1.428 -1.538 0 CA-C-O 123.388 1.566 . . . . 15.0 112.57 173.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 t30 81.29 -20.45 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 110.02 -3.264 . . . . 15.0 111.549 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 52.7 m-20 -79.02 144.45 63.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.126 -0.359 . . . . 15.0 110.084 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 26.5 Cg_exo -62.36 -13.7 34.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.656 2.238 . . . . 15.0 112.602 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.942 ' HB3' HD13 ' A' ' 15' ' ' LEU . 53.7 m-20 -80.12 -37.03 34.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -175.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CG ' HD13 ' A' ' 34' ' ' ILE . 30.8 t80 -65.54 -30.31 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.226 -0.59 . . . . 15.0 111.133 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.719 ' CZ ' ' HA ' ' A' ' 38' ' ' PRO . 12.3 p90 -99.3 25.96 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.881 -0.728 . . . . 15.0 111.549 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.65 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 35.6 mmtm -63.6 -30.92 71.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.263 0.554 . . . . 15.0 109.791 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.709 HG12 ' CE1' ' A' ' 12' ' ' PHE . 39.5 mm -103.03 135.54 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.117 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -58.0 -29.63 65.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.354 -0.839 . . . . 15.0 112.714 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.629 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m-20 -117.84 146.07 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.491 0.663 . . . . 15.0 111.642 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.9 t70 -92.56 -28.8 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 15.0 111.116 -175.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -80.93 16.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.93 0.871 . . . . 15.0 109.998 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 t -117.35 -22.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.947 -1.024 . . . . 15.0 108.513 169.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.632 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.0 mtt180 -63.67 -47.93 79.26 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.139 -0.937 . . . . 15.0 111.255 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.138 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.58 -9.81 59.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.695 0.998 . . . . 15.0 113.695 177.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 m -76.42 -9.7 58.85 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 119.567 -0.853 . . . . 15.0 110.615 162.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.6 mt -76.11 -46.71 27.55 Favored 'General case' 0 CA--C 1.466 -2.278 0 CA-C-O 125.053 2.359 . . . . 15.0 114.02 -174.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' HD1' ' CD ' ' A' ' 23' ' ' LYS 0.506 0.1 OUTLIER -80.06 -31.58 39.4 Favored 'General case' 2 C--N 1.203 -5.766 0 CA-C-N 108.687 -3.869 . . . . 15.0 110.312 -162.363 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.76 -45.59 74.22 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.718 -1.583 . . . . 15.0 109.331 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.38 -50.49 45.65 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.567 -0.742 . . . . 15.0 112.305 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.094 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 33.4 t90 -66.08 -19.59 65.9 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.143 0.973 . . . . 15.0 111.175 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 53.3 t -64.83 -45.89 84.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.026 -1.443 . . . . 15.0 109.774 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.27 24.99 10.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.519 -1.033 . . . . 15.0 110.519 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.974 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.46 -0.87 . . . . 15.0 109.864 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 CA--C 1.467 -2.236 0 CA-C-O 126.672 3.13 . . . . 15.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.92 -30.59 71.19 Favored 'General case' 1 C--N 1.198 -6.005 1 CA-C-N 104.124 -5.944 . . . . 15.0 110.538 -178.994 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.77 ' HA ' HD22 ' A' ' 52' ' ' LEU . 47.1 ptt85 -55.25 -50.35 69.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.769 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.949 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 24.6 m-80 -59.29 -25.67 64.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.589 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.773 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.4 mt -54.89 -50.09 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 O-C-N 123.499 0.5 . . . . 15.0 109.657 173.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.7 m-85 -71.6 -50.86 26.93 Favored 'General case' 0 C--O 1.167 -3.237 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.293 -172.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.09 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.38 0.3 OUTLIER -39.71 -47.39 2.02 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.425 1.466 . . . . 15.0 110.594 165.618 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' ASN . 38.2 mt-10 -69.41 -39.41 77.94 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.582 -0.447 . . . . 15.0 109.983 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -66.32 -32.37 73.73 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 107.813 -1.18 . . . . 15.0 107.813 169.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 1.05 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.5 m-30 -77.97 -24.61 48.02 Favored 'General case' 0 N--CA 1.392 -3.346 0 N-CA-C 107.532 -1.284 . . . . 15.0 107.532 -168.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.9 t70 -80.47 -44.85 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.481 0.658 . . . . 15.0 109.994 170.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -58.93 -27.45 65.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.702 -1.136 . . . . 15.0 110.899 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -106.23 11.56 31.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm 39.6 70.08 0.25 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.852 1.345 . . . . 15.0 112.055 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.95 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.8 OUTLIER -79.08 165.5 23.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.442 -175.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.57 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 5.2 m-20 -97.73 87.31 4.01 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.563 -1.643 . . . . 15.0 106.563 165.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.09 -30.0 71.25 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 112.617 -2.083 . . . . 15.0 110.876 -169.391 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -87.91 -30.4 20.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.522 0.564 . . . . 15.0 112.522 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -63.47 -80.59 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.52 154.47 47.68 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-O 121.854 0.835 . . . . 15.0 109.27 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.115 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.4 t-105 -66.53 -51.56 55.23 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 113.597 -1.638 . . . . 15.0 108.932 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.872 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.283 5.5 p -81.36 -31.96 33.14 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 117.608 2.447 . . . . 15.0 117.608 -172.173 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 33.9 tp -49.83 -27.98 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 175.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.95 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.2 mm-40 -82.06 -50.31 9.22 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 112.851 -1.977 . . . . 15.0 111.186 170.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.872 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 57.7 p -80.18 -40.9 26.32 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.759 2.133 . . . . 15.0 116.759 -173.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.801 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.9 ptmm? -64.82 -9.66 22.35 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.965 -1.124 . . . . 15.0 107.965 170.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.09 -51.87 3.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.593 -1.185 . . . . 15.0 110.614 177.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.694 HD13 ' HE1' ' A' ' 16' ' ' PHE . 4.0 pt -73.06 -5.6 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.333 0.587 . . . . 15.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.978 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 9.2 tt0 -45.76 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.419 -1.264 . . . . 15.0 112.242 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -50.08 -27.34 5.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.966 176.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 28.3 m-20 -68.17 158.41 84.31 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 15.0 110.875 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.94 2.41 4.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.02 1.813 . . . . 15.0 110.745 168.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' HB3' ' HB ' ' A' ' 34' ' ' ILE . 9.1 t0 -67.76 -50.5 56.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.912 -1.04 . . . . 15.0 109.674 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.978 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.59 -44.47 85.41 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.238 175.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.89 9.74 3.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.152 -0.931 . . . . 15.0 113.099 -165.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 70.5 mmtt -77.68 -25.9 49.87 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.46 -0.571 . . . . 15.0 109.46 172.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 52' ' ' LEU . 75.9 mt -127.46 126.34 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.358 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 14.0 ptt180 -65.46 -42.87 91.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 15.0 111.348 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.541 ' N ' ' HG3' ' A' ' 44' ' ' ARG . 9.3 m-20 -77.13 106.42 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.197 0.523 . . . . 15.0 111.234 -174.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 25.6 t70 -67.67 -23.94 65.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -73.4 -6.31 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 15.0 111.339 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.9 t -104.45 -28.82 2.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.592 -0.522 . . . . 15.0 109.592 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 89.2 mtt180 -55.52 -49.44 72.59 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.018 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.115 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.81 -10.12 59.75 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.278 1.214 . . . . 15.0 114.278 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.7 m -71.98 -9.5 58.45 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.183 -1.007 . . . . 15.0 110.446 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 9' ' ' ARG . 19.8 mt -76.86 -50.08 14.23 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-O 125.333 2.492 . . . . 15.0 113.895 -173.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.518 0.0 OUTLIER -78.14 -29.99 49.04 Favored 'General case' 2 C--N 1.199 -5.965 0 CA-C-N 108.415 -3.993 . . . . 15.0 110.161 -163.636 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -47.31 69.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.933 -1.485 . . . . 15.0 109.428 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 23.4 mm-40 -75.24 -50.54 15.81 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.668 -0.696 . . . . 15.0 112.018 -172.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.09 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.8 t90 -60.98 -23.56 65.45 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.546 1.165 . . . . 15.0 111.312 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.513 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 42.8 t -68.74 -50.36 51.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.528 -1.669 . . . . 15.0 111.167 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.96 41.87 2.06 Favored Glycine 0 CA--C 1.495 -1.166 0 N-CA-C 109.211 -1.555 . . . . 15.0 109.211 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.757 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 20.5 tt0 . . . . . 0 N--CA 1.435 -1.184 0 CA-C-N 114.626 -0.787 . . . . 15.0 110.898 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.544 0.688 . . . . 15.0 109.587 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.54 HG22 ' HD3' ' A' ' 9' ' ' ARG . 42.8 pt 41.4 93.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 114.308 -1.315 . . . . 15.0 113.92 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -174.72 -48.66 0.01 OUTLIER 'General case' 0 CA--C 1.471 -2.072 0 CA-C-O 126.573 3.082 . . . . 15.0 111.283 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.541 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -78.44 -24.59 46.0 Favored 'General case' 1 C--N 1.198 -6.018 1 CA-C-N 104.448 -5.797 . . . . 15.0 109.914 -179.906 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HD3' HG22 ' A' ' 6' ' ' ILE . 22.0 ptt180 -56.11 -50.18 71.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.669 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.962 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 42.7 m-80 -60.95 -19.81 61.39 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.066 -176.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mm -59.46 -44.74 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 172.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.694 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.7 m-85 -74.58 -51.11 15.47 Favored 'General case' 0 C--O 1.175 -2.838 0 CA-C-O 117.129 -1.415 . . . . 15.0 112.875 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.166 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.57 -45.18 1.57 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.015 1.326 . . . . 15.0 110.202 162.969 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 12.6 tp10 -63.38 -50.24 70.68 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.988 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.0 mt -59.99 -32.54 70.94 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.215 -0.902 . . . . 15.0 108.965 171.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.08 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m-30 -77.7 -30.65 51.94 Favored 'General case' 0 N--CA 1.392 -3.352 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 -167.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.56 -37.49 31.32 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.193 -0.912 . . . . 15.0 110.731 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -49.81 -35.51 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.166 -0.925 . . . . 15.0 111.175 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -111.27 12.85 21.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.08 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.61 76.77 0.05 Allowed 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 124.518 1.136 . . . . 15.0 112.174 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 30' ' ' GLN . 23.3 mt -77.03 -171.36 1.97 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.161 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.989 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 7.4 t70 -119.41 106.03 11.86 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 107.85 -1.167 . . . . 15.0 107.85 160.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.972 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -75.35 -0.54 20.16 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.199 -1.364 . . . . 15.0 110.435 -170.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.49 -47.14 2.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 35.6 t -47.24 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.535 0.734 . . . . 15.0 111.997 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 ' H ' ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -135.45 157.99 45.51 Favored 'General case' 0 CA--C 1.458 -2.588 0 N-CA-C 108.34 -0.985 . . . . 15.0 108.34 174.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.137 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.1 t-105 -72.91 -52.03 16.26 Favored 'General case' 0 C--N 1.27 -2.88 0 C-N-CA 117.409 -1.716 . . . . 15.0 109.046 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.88 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.303 6.0 p -82.19 -34.69 28.88 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 118.554 2.798 . . . . 15.0 118.554 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 13.4 tp -48.76 -31.16 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.348 -1.723 . . . . 15.0 106.348 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.989 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -82.08 -47.57 12.43 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 112.703 -2.044 . . . . 15.0 110.454 172.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.88 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 65.2 p -79.6 -40.36 29.53 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.898 2.184 . . . . 15.0 116.898 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.754 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.6 ptmm? -64.56 -9.37 18.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.328 -0.99 . . . . 15.0 108.328 171.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 23.6 ttmm -92.52 -40.45 10.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 113.995 -1.457 . . . . 15.0 109.584 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CD1' ' A' ' 40' ' ' PHE . 2.0 pt -86.39 -4.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.564 0.697 . . . . 15.0 109.867 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.93 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tt0 -44.61 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.957 -1.474 . . . . 15.0 114.023 -175.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -47.95 -25.13 1.24 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.595 -1.184 . . . . 15.0 112.94 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 5.0 m-20 -63.57 132.49 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.157 -0.312 . . . . 15.0 110.157 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.7 Cg_exo -56.43 -13.11 9.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.914 2.409 . . . . 15.0 112.451 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.988 ' HB3' HD13 ' A' ' 15' ' ' LEU . 8.0 m-20 -80.07 -29.04 39.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.063 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.93 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 2.0 t80 -61.6 -27.66 68.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.535 -0.913 . . . . 15.0 108.535 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -93.75 12.37 25.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.063 -0.971 . . . . 15.0 111.441 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 39' ' ' ASP . 36.6 mmtm -59.45 -38.46 80.81 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 45' ' ' ASP . 47.0 mm -117.02 130.31 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.817 -1.083 . . . . 15.0 108.929 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -82.53 -9.36 59.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 15.0 110.126 -176.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 43' ' ' ILE . 5.9 m-20 -91.18 101.9 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.388 -0.824 . . . . 15.0 109.671 177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 27.2 t70 -66.81 -29.36 69.28 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -65.94 -13.67 60.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.587 -0.733 . . . . 15.0 111.415 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.425 ' O ' HD13 ' A' ' 52' ' ' LEU . 87.6 t -100.95 -33.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 15.0 110.046 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.805 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.1 mtt180 -53.02 -50.0 65.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.645 -0.707 . . . . 15.0 111.738 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.137 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.04 -27.03 39.5 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.007 -1.077 . . . . 15.0 112.606 -175.125 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -60.7 -12.54 10.72 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 120.148 -0.621 . . . . 15.0 110.395 168.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.36 -51.13 9.23 Favored 'General case' 0 CA--C 1.461 -2.442 0 CA-C-O 125.829 2.728 . . . . 15.0 113.64 -172.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.543 1.6 t80 -48.74 -43.19 37.34 Favored 'General case' 2 C--N 1.2 -5.893 1 CA-C-N 106.498 -4.865 . . . . 15.0 112.623 175.007 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -69.74 -37.24 76.4 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.474 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.6 mt-10 -72.33 -50.63 25.43 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 118.792 -1.163 . . . . 15.0 109.631 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.166 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.8 t90 -58.08 -27.74 63.93 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.049 0.928 . . . . 15.0 111.461 -177.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -56.64 -41.36 77.04 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.549 -1.659 . . . . 15.0 109.351 -175.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' SG ' ' A' ' 57' ' ' CYS . . . -134.34 40.4 1.58 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.635 -1.386 . . . . 15.0 109.635 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.255 -0.973 . . . . 15.0 109.679 -172.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.773 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 34.8 pt 42.91 86.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 124.697 1.248 . . . . 15.0 111.24 -169.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.9 p30 166.66 -33.06 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 125.578 2.609 . . . . 15.0 112.061 -172.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -80.01 -38.38 32.19 Favored 'General case' 1 C--N 1.204 -5.732 1 CA-C-N 106.291 -4.958 . . . . 15.0 110.514 -179.431 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.773 ' HE ' ' HA ' ' A' ' 6' ' ' ILE . 12.2 ptp180 -75.3 -48.83 21.37 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.651 -1.159 . . . . 15.0 111.584 -170.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.946 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 2.5 m-80 -68.98 -10.05 55.39 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.913 0.885 . . . . 15.0 109.537 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.839 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.2 mt -67.6 -45.31 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.199 -0.91 . . . . 15.0 109.313 168.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.1 m-85 -75.76 -51.22 13.15 Favored 'General case' 0 C--O 1.174 -2.921 0 CA-C-O 116.709 -1.615 . . . . 15.0 112.458 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.146 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.35 0.1 OUTLIER -39.67 -41.68 1.1 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.989 1.268 . . . . 15.0 110.013 162.737 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 13.2 tp10 -65.42 -50.18 66.4 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.615 0.721 . . . . 15.0 109.757 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.6 mt -60.4 -33.13 72.04 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.364 -1.289 . . . . 15.0 108.762 171.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.084 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m-30 -80.33 -24.97 39.54 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 107.018 -1.475 . . . . 15.0 107.018 -168.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' PHE . 19.3 t70 -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.134 -0.939 . . . . 15.0 110.026 170.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 18' ' ' ARG . 6.3 ttm-85 -60.37 -25.23 65.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.815 -1.539 . . . . 15.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.0 3.62 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm 42.72 81.63 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.799 -1.546 . . . . 15.0 111.838 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.877 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -88.65 165.53 14.72 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.923 -1.035 . . . . 15.0 110.563 -177.011 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.44 89.97 6.05 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.673 -1.603 . . . . 15.0 106.673 165.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.983 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.22 -33.7 75.08 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.134 -1.848 . . . . 15.0 110.55 -173.127 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -87.34 14.0 8.77 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.549 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -104.29 -115.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 15.0 110.819 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -109.41 155.43 21.27 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 108.717 -0.846 . . . . 15.0 108.717 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -68.51 -51.14 46.38 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 113.732 -1.576 . . . . 15.0 109.232 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.913 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.279 4.6 p -81.47 -27.82 34.41 Favored 'General case' 0 N--CA 1.418 -2.061 0 N-CA-C 117.203 2.298 . . . . 15.0 117.203 -172.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.0 tp -50.65 -29.24 10.6 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.388 -1.708 . . . . 15.0 106.388 173.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.877 ' HB3' HD12 ' A' ' 21' ' ' LEU . 10.0 mm-40 -81.6 -50.45 9.33 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 112.705 -2.043 . . . . 15.0 110.455 173.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.913 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 10.1 p -80.18 -39.19 29.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.564 2.431 . . . . 15.0 117.564 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -67.43 -9.58 43.16 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.687 -1.227 . . . . 15.0 107.687 171.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -95.83 -55.14 3.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.825 -1.534 . . . . 15.0 110.707 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.741 HD13 ' HE1' ' A' ' 16' ' ' PHE . 7.7 pt -74.66 -1.1 2.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-O 121.376 0.607 . . . . 15.0 109.822 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.833 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 7.7 tt0 -42.23 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.168 -1.378 . . . . 15.0 113.444 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.36 8.35 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.495 -0.775 . . . . 15.0 113.035 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.646 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 70.4 m-20 -84.36 129.35 58.19 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.548 -0.908 . . . . 15.0 108.548 172.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.92 -15.76 10.54 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.849 2.366 . . . . 15.0 112.892 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.034 ' HB3' HD13 ' A' ' 15' ' ' LEU . 44.3 m-20 -74.38 -28.98 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.613 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.833 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -57.95 -35.72 71.53 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.893 0.854 . . . . 15.0 108.786 171.145 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -85.56 8.78 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.769 -1.105 . . . . 15.0 111.935 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 42.6 mmtm -61.34 -38.91 88.63 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 171.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.706 HG12 ' CE1' ' A' ' 12' ' ' PHE . 40.0 mm -107.45 134.13 50.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.82 . . . . 15.0 109.752 176.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -66.69 -33.92 76.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.37 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 43' ' ' ILE . 17.9 t70 -100.91 135.59 42.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.273 -175.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.6 t70 -84.79 -28.31 26.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.639 -176.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.452 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -77.55 1.74 18.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.102 0.477 . . . . 15.0 111.267 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.531 ' O ' HD13 ' A' ' 52' ' ' LEU . 99.1 t -98.85 -31.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 168.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.91 ' HA ' HD22 ' A' ' 52' ' ' LEU . 86.7 mtt180 -58.15 -48.94 78.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.777 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -23.93 40.1 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.475 -1.29 . . . . 15.0 112.404 -178.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.6 m -59.7 -12.93 7.97 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.167 -0.613 . . . . 15.0 110.326 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.01 -51.22 9.32 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-O 126.189 2.899 . . . . 15.0 113.941 -171.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.514 ' O ' ' HD2' ' A' ' 23' ' ' LYS 0.539 0.1 OUTLIER -48.51 -45.08 36.67 Favored 'General case' 2 C--N 1.201 -5.864 1 CA-C-N 106.212 -4.995 . . . . 15.0 111.858 175.465 . . . . . . . . 6 4 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -61.98 -50.11 73.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 15.0 110.174 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 31.6 mt-10 -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.127 -0.942 . . . . 15.0 111.036 -177.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.146 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 44.4 t90 -63.68 -27.76 69.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 122.116 0.96 . . . . 15.0 111.499 178.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 50.2 t -71.69 -50.39 30.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.481 -1.236 . . . . 15.0 110.868 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.36 36.11 3.97 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 109.855 -1.298 . . . . 15.0 109.855 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 56' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.092 -1.054 . . . . 15.0 109.261 -173.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 109.139 -0.689 . . . . 15.0 109.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.635 HG22 ' HD3' ' A' ' 9' ' ' ARG . 32.1 pt 40.01 92.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 113.775 -1.557 . . . . 15.0 114.055 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -175.25 -46.78 0.01 OUTLIER 'General case' 0 CA--C 1.47 -2.1 0 CA-C-O 126.228 2.918 . . . . 15.0 112.135 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.05 -28.83 39.19 Favored 'General case' 1 C--N 1.194 -6.18 1 CA-C-N 105.274 -5.421 . . . . 15.0 110.089 -179.83 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.71 ' HA ' HD22 ' A' ' 52' ' ' LEU . 20.3 ptt180 -56.04 -50.49 70.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.164 -0.925 . . . . 15.0 111.933 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.886 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 50.1 m-80 -64.23 -10.03 20.91 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.858 -174.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.822 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -70.22 -46.81 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 109.5 -0.555 . . . . 15.0 109.5 171.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.748 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -71.11 -50.99 27.73 Favored 'General case' 0 C--O 1.172 -2.984 0 CA-C-O 117.123 -1.418 . . . . 15.0 112.558 -172.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.433 0.3 OUTLIER -39.32 -45.0 1.37 Allowed 'General case' 0 N--CA 1.512 2.671 0 C-N-CA 125.705 1.602 . . . . 15.0 110.935 164.533 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -67.11 -46.72 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.361 -0.978 . . . . 15.0 108.361 -178.369 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.5 mt -62.8 -31.33 72.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 15.0 108.928 170.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.043 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.8 m-30 -76.59 -31.56 57.55 Favored 'General case' 0 N--CA 1.395 -3.209 0 N-CA-C 108.835 -0.802 . . . . 15.0 108.835 -169.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.46 -44.1 19.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.703 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -56.29 -29.13 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.205 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -108.06 0.11 21.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.086 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 36.3 tptt 54.22 91.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.953 0.883 . . . . 15.0 111.899 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.857 HD13 ' HB3' ' A' ' 30' ' ' GLN . 20.0 mt -100.52 -170.76 1.91 Allowed 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.804 -0.634 . . . . 15.0 109.521 171.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.983 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 44.4 m-20 -130.61 96.59 4.15 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.943 -1.026 . . . . 15.0 108.308 166.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.96 -4.56 13.48 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.468 -1.697 . . . . 15.0 112.206 -164.212 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.743 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 41.0 p90 -132.93 7.9 4.05 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.45 0.537 . . . . 15.0 112.45 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.5 t -96.77 -72.27 0.64 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.428 0.633 . . . . 15.0 109.477 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.32 165.24 18.71 Favored 'General case' 0 CA--C 1.456 -2.668 0 N-CA-C 106.63 -1.619 . . . . 15.0 106.63 169.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.131 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.5 t-105 -79.16 -52.12 8.6 Favored 'General case' 0 C--N 1.265 -3.069 0 C-N-CA 117.692 -1.603 . . . . 15.0 109.561 168.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 1.087 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.415 3.1 p -82.29 -24.86 34.47 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 120.249 3.426 . . . . 15.0 120.249 -175.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.7 tp -52.43 -29.23 23.37 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 122.486 2.403 . . . . 15.0 106.436 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.983 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.4 mp0 -81.87 -50.02 9.68 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 112.307 -2.224 . . . . 15.0 110.855 176.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.794 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 14.2 p -77.32 -29.3 53.51 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.895 1.813 . . . . 15.0 115.895 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 1.087 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 9.8 mmpt? -58.94 -9.92 2.16 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 122.067 0.936 . . . . 15.0 108.529 169.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 54.8 mttm -92.56 -59.14 2.15 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.799 -1.546 . . . . 15.0 108.24 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.686 HD13 ' HE1' ' A' ' 16' ' ' PHE . 2.6 pt -75.47 -9.66 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.206 -1.361 . . . . 15.0 112.34 -169.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.6 pt-20 -66.1 -31.33 72.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.535 0.568 . . . . 15.0 112.535 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -87.88 13.7 10.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.527 0.68 . . . . 15.0 109.935 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -119.63 153.14 54.14 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 114.816 -1.084 . . . . 15.0 108.512 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.45 -6.45 10.29 Favored 'Trans proline' 0 CA--C 1.527 0.166 0 C-N-CA 122.452 2.102 . . . . 15.0 111.335 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.008 ' HB3' HD13 ' A' ' 15' ' ' LEU . 31.3 m-20 -80.01 -30.19 39.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.198 -0.91 . . . . 15.0 112.503 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -33.47 75.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 170.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -81.21 6.19 14.73 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.721 -1.127 . . . . 15.0 111.832 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.748 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 72.6 mmtt -63.69 -41.23 98.17 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.685 HD12 HD11 ' A' ' 52' ' ' LEU . 56.8 mt -108.23 123.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.357 -0.838 . . . . 15.0 108.976 173.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 44' ' ' ARG . 9.0 ptp85 -64.01 -28.81 70.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 15.0 112.268 -174.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -102.45 138.29 39.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.385 0.612 . . . . 15.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 14.8 t70 -83.31 -19.22 36.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.773 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -66.01 -21.62 66.41 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.14 -0.482 . . . . 15.0 111.738 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.743 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 30.6 t -95.8 -30.98 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.593 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 85.3 mtt180 -53.26 -48.09 68.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.131 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.54 -28.37 37.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 118.734 -1.186 . . . . 15.0 112.679 -177.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.3 m -61.43 -9.96 6.6 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.433 0.635 . . . . 15.0 110.671 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 48' ' ' VAL . 26.8 mt -74.5 -50.05 19.75 Favored 'General case' 0 CA--C 1.463 -2.379 0 CA-C-O 125.76 2.695 . . . . 15.0 113.642 -175.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.709 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.54 0.0 OUTLIER -78.36 -28.97 47.2 Favored 'General case' 2 C--N 1.199 -5.944 1 CA-C-N 107.241 -4.527 . . . . 15.0 110.16 -161.519 . . . . . . . . 6 4 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.1 mt-10 -62.84 -42.2 99.64 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.267 -1.788 . . . . 15.0 109.706 170.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 68.9 mm-40 -65.33 -50.22 66.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.462 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 32.5 t90 -71.08 -15.87 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.26 1.029 . . . . 15.0 111.376 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 42.3 t -63.92 -50.37 68.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.248 -1.342 . . . . 15.0 109.591 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.49 29.7 11.95 Favored Glycine 0 CA--C 1.506 -0.523 0 N-CA-C 110.144 -1.182 . . . . 15.0 110.144 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.01 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.938 0 CA-C-N 114.299 -0.95 . . . . 15.0 109.717 -174.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 pt 34.83 90.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 124.466 1.103 . . . . 15.0 113.452 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -162.39 -53.48 0.04 OUTLIER 'General case' 0 CA--C 1.466 -2.269 0 CA-C-O 126.856 3.217 . . . . 15.0 110.578 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -67.19 -24.92 65.91 Favored 'General case' 1 C--N 1.201 -5.888 1 CA-C-N 104.035 -5.984 . . . . 15.0 110.59 179.326 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.665 ' HD2' ' OE1' ' A' ' 55' ' ' GLU . 15.0 ptt180 -57.86 -50.24 73.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.596 . . . . 15.0 110.853 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.909 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.6 m-80 -64.88 -15.53 62.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.553 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.887 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -63.83 -44.89 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 172.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.5 m-85 -73.6 -51.09 18.05 Favored 'General case' 0 C--O 1.178 -2.68 0 CA-C-O 117.033 -1.461 . . . . 15.0 112.096 -173.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.139 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.355 0.2 OUTLIER -39.62 -43.34 1.32 Allowed 'General case' 0 N--CA 1.508 2.472 0 C-N-CA 124.989 1.315 . . . . 15.0 110.44 162.231 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.0 tm-20 -65.95 -50.2 65.21 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.071 HD13 ' HB2' ' A' ' 39' ' ' ASP . 9.0 mt -58.35 -33.12 69.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.725 -0.843 . . . . 15.0 108.725 170.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.079 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.8 m-30 -80.07 -25.46 40.05 Favored 'General case' 0 N--CA 1.386 -3.63 0 N-CA-C 107.664 -1.236 . . . . 15.0 107.664 -168.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' PHE . 24.0 t70 -80.61 -45.42 17.33 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.281 169.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 18' ' ' ARG . 17.0 ttm180 -53.24 -30.85 40.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.645 -1.161 . . . . 15.0 111.005 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -103.98 -5.77 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.299 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 52.31 78.96 0.12 Allowed 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 123.908 0.755 . . . . 15.0 110.905 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.984 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -84.5 166.3 17.36 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.962 0.887 . . . . 15.0 110.371 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.613 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 41.6 m-20 -97.13 85.37 3.7 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.645 -1.613 . . . . 15.0 106.645 168.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.985 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.81 -31.14 72.07 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 112.71 -2.041 . . . . 15.0 111.794 -167.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -102.74 5.96 39.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -89.21 -82.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.736 -0.386 . . . . 15.0 110.842 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -136.42 153.57 51.04 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.712 0.768 . . . . 15.0 108.946 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.14 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 10.7 t-105 -67.08 -51.58 52.64 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 113.626 -1.625 . . . . 15.0 109.028 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.842 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.313 4.8 p -81.44 -22.54 38.1 Favored 'General case' 0 N--CA 1.41 -2.445 0 N-CA-C 117.58 2.437 . . . . 15.0 117.58 -175.085 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 48.7 tp -53.25 -29.01 30.45 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 105.809 -1.922 . . . . 15.0 105.809 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.984 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.1 mm-40 -81.94 -50.71 8.84 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.601 -2.09 . . . . 15.0 112.162 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.842 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 4.9 p -79.51 -30.37 41.87 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.622 1.712 . . . . 15.0 115.622 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -67.93 -10.01 49.8 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.282 -1.377 . . . . 15.0 107.282 171.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 30.2 ttpt -104.4 -55.76 2.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 113.302 -1.772 . . . . 15.0 110.867 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.802 HD13 ' HE1' ' A' ' 16' ' ' PHE . 6.9 pt -75.83 -2.79 4.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 CA-C-O 121.288 0.566 . . . . 15.0 110.203 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.768 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.2 tm-20 -38.18 -77.32 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.51 -1.223 . . . . 15.0 113.87 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -80.75 16.28 1.47 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.983 -0.553 . . . . 15.0 112.248 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 3.8 m-20 -85.05 140.47 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 173.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.56 -20.03 67.1 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.705 2.27 . . . . 15.0 112.311 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.071 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -80.06 -28.28 39.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.843 -0.617 . . . . 15.0 112.473 -177.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.81 -30.89 67.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.673 -0.862 . . . . 15.0 108.673 171.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.42 4.19 32.65 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.068 -0.969 . . . . 15.0 112.041 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.954 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 3.6 mptp? -62.06 -31.57 72.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.36 0.6 . . . . 15.0 109.513 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 52' ' ' LEU . 28.0 mt -113.67 128.25 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.108 -0.951 . . . . 15.0 109.064 173.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.33 -32.11 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.633 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.7 p30 -92.68 155.37 17.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.496 0.665 . . . . 15.0 110.695 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 37.5 t70 -115.74 36.34 4.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.186 -1.37 . . . . 15.0 108.317 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -123.19 -16.43 6.94 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.014 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.713 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 37.5 t -98.77 -25.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.876 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.2 mtt180 -57.3 -50.34 73.24 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.394 0.616 . . . . 15.0 111.704 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.14 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.87 -9.97 59.77 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 113.559 0.948 . . . . 15.0 113.559 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -74.36 -9.67 58.83 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 119.692 -0.803 . . . . 15.0 110.155 164.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 43' ' ' ILE . 63.9 mt -75.39 -49.4 19.11 Favored 'General case' 0 CA--C 1.458 -2.558 0 CA-C-O 125.678 2.656 . . . . 15.0 114.121 -173.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.698 ' HD2' ' O ' ' A' ' 50' ' ' GLU 0.517 0.0 OUTLIER -76.13 -33.29 59.43 Favored 'General case' 2 C--N 1.199 -5.972 1 CA-C-N 108.035 -4.166 . . . . 15.0 110.005 -165.042 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.51 -46.5 80.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.151 -1.386 . . . . 15.0 109.715 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.665 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 53.5 mt-10 -69.56 -50.2 47.05 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.564 -0.744 . . . . 15.0 111.544 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.139 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 50.6 t90 -66.44 -21.58 66.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.923 0.868 . . . . 15.0 111.288 -178.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 41.2 t -65.59 -50.12 66.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.219 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.21 33.11 6.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 109.968 -1.253 . . . . 15.0 109.968 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.817 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.179 -172.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.9 t0 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 121.4 0.619 . . . . 15.0 109.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' O ' HG13 ' A' ' 6' ' ' ILE . 26.6 pt -73.27 79.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-O 123.908 1.813 . . . . 15.0 110.423 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -169.88 -53.3 0.02 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-O 126.954 3.264 . . . . 15.0 109.136 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 11' ' ' ILE . 56.8 mt-10 -71.73 -32.28 67.59 Favored 'General case' 1 C--N 1.202 -5.81 1 CA-C-N 103.656 -6.156 . . . . 15.0 111.033 -179.116 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.769 ' HA ' HD22 ' A' ' 52' ' ' LEU . 36.7 ptt85 -56.57 -50.57 71.53 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.113 -0.949 . . . . 15.0 110.177 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.918 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 44.2 m-80 -69.59 -17.47 63.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 110.038 -0.356 . . . . 15.0 110.038 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.834 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.3 mt -61.89 -49.76 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 171.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.702 ' CE1' ' HB2' ' A' ' 42' ' ' LYS . 5.4 m-85 -69.78 -51.36 34.64 Favored 'General case' 0 C--O 1.174 -2.869 0 CA-C-O 116.942 -1.504 . . . . 15.0 112.061 -173.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.112 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.357 0.3 OUTLIER -39.84 -45.09 1.74 Allowed 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 120.235 1.38 . . . . 15.0 110.589 164.35 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 8.6 tp10 -63.43 -50.29 70.37 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.934 0.874 . . . . 15.0 109.325 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -62.3 -31.5 72.11 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.941 -1.481 . . . . 15.0 108.75 173.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.063 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.4 m-30 -79.71 -25.0 41.3 Favored 'General case' 0 N--CA 1.39 -3.429 0 N-CA-C 106.904 -1.517 . . . . 15.0 106.904 -170.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 35.9 t70 -80.53 -44.41 19.14 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.012 172.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -52.78 -31.89 40.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.511 -1.222 . . . . 15.0 111.133 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 12.0 m-30 -104.16 -3.06 24.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER 49.17 82.75 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.538 -1.21 . . . . 15.0 109.891 -176.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -84.09 163.89 19.56 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 114.208 -1.36 . . . . 15.0 110.295 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.651 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 24.0 m-20 -93.94 86.47 5.06 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.749 -1.574 . . . . 15.0 106.749 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.949 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -61.55 -31.63 71.67 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 112.772 -2.013 . . . . 15.0 111.894 -169.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.486 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 49.0 p90 -109.7 11.5 24.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.445 0.535 . . . . 15.0 112.445 -175.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.8 t -83.24 -75.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.12 0.486 . . . . 15.0 110.331 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -146.97 153.96 40.69 Favored 'General case' 0 CA--C 1.466 -2.285 0 N-CA-C 107.882 -1.155 . . . . 15.0 107.882 174.593 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.4 t-105 -66.73 -51.81 51.64 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-N 113.603 -1.635 . . . . 15.0 109.445 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.873 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.267 3.9 p -81.42 -23.31 37.64 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 117.132 2.271 . . . . 15.0 117.132 -175.182 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.648 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 1.4 tm? -48.02 -34.51 9.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.402 -2.073 . . . . 15.0 105.402 172.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.964 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.76 -50.8 8.84 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.505 -2.134 . . . . 15.0 111.191 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.873 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 37.0 p -79.77 -32.24 40.93 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 116.941 2.2 . . . . 15.0 116.941 -170.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -65.61 -9.71 29.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.176 -1.416 . . . . 15.0 107.176 170.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 33.0 ttpt -106.17 -49.45 3.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.636 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.841 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.4 pt -70.33 -11.54 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.7 0.286 . . . . 15.0 111.528 -175.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 4.4 pt-20 -62.2 -24.21 67.08 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.493 -0.322 . . . . 15.0 111.824 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -80.08 -17.68 52.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.672 0.748 . . . . 15.0 110.066 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.49 164.57 19.57 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 114.999 -1.0 . . . . 15.0 110.605 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 22.1 Cg_exo -65.91 -6.19 13.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.264 1.976 . . . . 15.0 110.661 168.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.76 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.3 t0 -62.12 -50.65 71.05 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 115.081 -0.963 . . . . 15.0 110.71 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.681 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.24 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.235 0.541 . . . . 15.0 110.969 -178.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -82.63 5.01 22.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.566 -0.743 . . . . 15.0 112.415 -171.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 75.1 mmtt -73.68 -34.95 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.415 . . . . 15.0 110.303 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 8' ' ' GLU . 41.7 mt -125.49 124.92 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -69.46 -31.98 70.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 15.0 111.331 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.21 104.59 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.519 0.676 . . . . 15.0 111.175 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 30.7 t70 -66.44 -27.65 67.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.708 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -67.65 -5.44 15.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.479 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.7 t -105.49 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.715 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -54.4 -48.5 71.51 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.458 -0.792 . . . . 15.0 111.931 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.55 -22.96 40.3 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.706 -1.198 . . . . 15.0 113.349 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.7 m -63.8 -9.81 16.72 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.675 -0.81 . . . . 15.0 110.655 168.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD22 ' HA ' ' A' ' 9' ' ' ARG . 31.9 mt -75.88 -50.48 14.94 Favored 'General case' 0 CA--C 1.46 -2.507 0 CA-C-O 125.936 2.779 . . . . 15.0 114.167 -174.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 27' ' ' TRP 0.544 0.0 OUTLIER -71.74 -32.4 67.69 Favored 'General case' 2 C--N 1.197 -6.033 1 CA-C-N 107.217 -4.538 . . . . 15.0 110.038 -165.828 . . . . . . . . 6 4 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.5 mt-10 -57.6 -48.2 80.05 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.881 -1.509 . . . . 15.0 109.834 173.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.656 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 50.2 mt-10 -67.17 -50.35 61.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 15.0 111.204 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.112 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 51.9 t90 -65.98 -21.19 66.4 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.295 1.045 . . . . 15.0 111.334 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 24' ' ' PHE . 48.3 t -63.75 -50.24 69.85 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.03 -1.441 . . . . 15.0 109.604 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.49 41.5 2.2 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.932 -1.267 . . . . 15.0 109.932 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.9 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.861 -0.669 . . . . 15.0 109.931 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 7' ' ' ASP . 27.6 pt 44.16 91.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 124.415 1.072 . . . . 15.0 111.995 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.52 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER 166.54 -24.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 124.895 2.283 . . . . 15.0 114.09 -176.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.61 -28.59 51.55 Favored 'General case' 1 C--N 1.208 -5.552 1 CA-C-N 107.968 -4.196 . . . . 15.0 108.258 174.358 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.722 ' HA ' HD22 ' A' ' 52' ' ' LEU . 12.8 ptm180 -61.55 -50.6 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.072 -1.422 . . . . 15.0 110.95 177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.931 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 40.0 m-80 -69.7 -10.05 56.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.931 -175.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.881 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.5 mt -66.6 -49.69 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.703 -0.681 . . . . 15.0 109.322 169.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.688 ' HB2' HD13 ' A' ' 52' ' ' LEU . 3.3 m-85 -72.26 -51.3 21.56 Favored 'General case' 0 C--O 1.179 -2.646 0 CA-C-O 117.164 -1.398 . . . . 15.0 112.345 -171.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.12 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.339 0.2 OUTLIER -39.72 -43.71 1.43 Allowed 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 125.042 1.337 . . . . 15.0 110.666 163.514 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -68.19 -46.19 71.32 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.044 -0.725 . . . . 15.0 109.044 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.121 HD13 ' HB2' ' A' ' 39' ' ' ASP . 8.4 mt -61.62 -32.11 72.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 108.383 -0.969 . . . . 15.0 108.383 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.069 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.0 m-30 -79.88 -25.93 40.47 Favored 'General case' 0 N--CA 1.39 -3.437 0 N-CA-C 107.52 -1.289 . . . . 15.0 107.52 -169.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.8 t70 -80.34 -48.95 12.19 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.644 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 12.4 ttm180 -58.15 -25.69 61.78 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.464 -1.244 . . . . 15.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -100.47 -5.91 26.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.874 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 9.0 mtpm? 54.23 70.35 0.62 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.091 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.952 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -80.14 165.18 22.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.888 0.851 . . . . 15.0 110.25 -179.115 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.592 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 13.4 m-20 -98.13 90.38 4.85 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 169.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.965 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -65.55 -31.87 73.16 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 113.168 -1.833 . . . . 15.0 111.921 -168.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 34.0 p90 -107.89 17.04 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 15.0 111.816 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.535 ' OG ' ' HB3' ' A' ' 22' ' ' ASP . 36.3 m -96.4 -79.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.96 0.41 . . . . 15.0 111.008 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -129.93 161.61 30.49 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-O 122.08 0.943 . . . . 15.0 108.516 174.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 9.5 t-105 -77.28 -51.64 10.55 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 113.666 -1.607 . . . . 15.0 109.162 167.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.912 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.357 13.2 p -81.72 -35.49 29.69 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 119.689 3.218 . . . . 15.0 119.689 -170.44 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.4 mm? -51.28 -26.11 6.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 120.591 1.541 . . . . 15.0 107.03 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.952 ' HB3' HD12 ' A' ' 21' ' ' LEU . 16.0 mp0 -81.9 -50.08 9.59 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 112.524 -2.125 . . . . 15.0 111.496 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.912 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 2.1 p -75.59 -49.82 17.41 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 116.614 2.079 . . . . 15.0 116.614 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -62.41 -9.49 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.088 -1.078 . . . . 15.0 108.088 171.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -83.52 -54.28 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.112 -1.404 . . . . 15.0 109.309 174.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.827 HD13 ' HE1' ' A' ' 16' ' ' PHE . 10.0 pt -85.27 -10.92 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.704 -0.68 . . . . 15.0 112.716 -171.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.685 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 6.1 pt-20 -61.73 -27.36 68.66 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.822 -0.549 . . . . 15.0 112.463 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.91 14.03 13.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.357 0.599 . . . . 15.0 109.918 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.501 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 6.5 m-20 -118.98 157.49 50.38 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.445 -0.798 . . . . 15.0 110.117 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.52 -1.46 9.79 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.296 1.997 . . . . 15.0 112.058 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.121 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.1 p-10 -80.17 -48.34 13.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.11 -0.496 . . . . 15.0 110.813 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.701 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -55.79 -33.68 64.6 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.329 0.585 . . . . 15.0 110.158 175.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -74.13 -1.42 20.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.326 -0.852 . . . . 15.0 112.425 -176.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.657 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 37.5 mmtm -70.02 -24.0 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 15.0 110.796 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 52' ' ' LEU . 38.3 mt -124.15 130.64 73.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.071 -0.715 . . . . 15.0 109.071 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -62.07 -57.91 9.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.654 0.74 . . . . 15.0 110.388 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.8 139.3 43.18 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.335 -1.302 . . . . 15.0 111.682 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 25.5 t70 -90.21 -17.24 27.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.876 -1.056 . . . . 15.0 110.214 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 m -64.93 -20.6 66.55 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.906 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.9 t -100.79 -20.88 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.491 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.764 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 94.9 mtt180 -61.83 -49.68 75.33 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.96 0.41 . . . . 15.0 111.317 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.67 -13.56 58.91 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.466 -0.771 . . . . 15.0 112.775 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -70.7 -9.75 57.88 Favored 'General case' 0 C--N 1.285 -2.212 0 C-N-CA 120.118 -0.633 . . . . 15.0 110.478 164.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.764 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.0 mt -77.28 -50.33 13.09 Favored 'General case' 0 CA--C 1.459 -2.555 0 CA-C-O 125.931 2.777 . . . . 15.0 114.041 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.603 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.543 0.0 OUTLIER -70.62 -34.8 72.5 Favored 'General case' 2 C--N 1.202 -5.839 1 CA-C-N 106.871 -4.695 . . . . 15.0 110.09 -166.872 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.1 mt-10 -55.5 -48.52 74.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.229 -1.35 . . . . 15.0 109.599 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 12.9 mm-40 -69.97 -50.42 41.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.938 -1.028 . . . . 15.0 111.994 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.12 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 39.2 t90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.102 0.953 . . . . 15.0 111.145 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.1 t -59.73 -50.15 74.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 113.823 -1.535 . . . . 15.0 109.794 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.49 38.85 3.0 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.697 -1.361 . . . . 15.0 109.697 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.968 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 6.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 114.697 -0.752 . . . . 15.0 110.309 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.494 HG22 ' HD3' ' A' ' 9' ' ' ARG . 42.8 pt 39.04 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 113.877 -1.511 . . . . 15.0 114.5 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 t70 179.58 -48.42 0.01 OUTLIER 'General case' 0 CA--C 1.469 -2.148 0 CA-C-O 126.562 3.077 . . . . 15.0 111.258 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.96 -35.06 38.16 Favored 'General case' 1 C--N 1.197 -6.06 1 CA-C-N 104.552 -5.749 . . . . 15.0 110.26 -176.743 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.679 ' HA ' HD22 ' A' ' 52' ' ' LEU . 8.0 ptm180 -56.01 -50.6 70.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.905 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.954 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 35.1 m-80 -65.98 -15.62 63.17 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.611 -173.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.872 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.3 mt -63.59 -50.1 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 109.284 -0.636 . . . . 15.0 109.284 171.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.76 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.3 m-85 -70.03 -50.82 37.47 Favored 'General case' 0 C--O 1.176 -2.795 0 CA-C-O 117.213 -1.375 . . . . 15.0 112.644 -170.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.125 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.41 0.4 OUTLIER -39.64 -47.85 2.04 Favored 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 125.542 1.537 . . . . 15.0 110.736 165.369 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.48 -43.72 89.35 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.558 -0.534 . . . . 15.0 109.558 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.007 HD13 ' HB3' ' A' ' 39' ' ' ASP . 7.2 mt -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.538 -0.912 . . . . 15.0 108.538 171.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.023 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.9 m-30 -75.21 -33.82 61.42 Favored 'General case' 0 N--CA 1.399 -3.023 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.137 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.44 -39.1 28.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.775 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 18' ' ' ARG . 32.5 ttt180 -62.65 -27.34 69.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.574 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.86 11.88 29.54 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.356 -0.979 . . . . 15.0 108.356 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 pttt 29.05 83.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 113.845 -1.525 . . . . 15.0 113.473 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.935 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.2 mt -83.99 -170.89 3.31 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.94 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 1.024 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 11.5 m-20 -124.98 93.31 3.85 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.029 -0.987 . . . . 15.0 108.406 165.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.905 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.57 -16.55 61.15 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 113.486 -1.688 . . . . 15.0 110.363 -170.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.79 -46.38 6.6 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.997 -1.001 . . . . 15.0 111.673 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.2 t -60.23 -79.78 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.957 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.34 165.67 14.0 Favored 'General case' 0 CA--C 1.459 -2.549 0 N-CA-C 107.643 -1.243 . . . . 15.0 107.643 175.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.126 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 4.2 t-105 -79.69 -52.02 8.48 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 113.7 -1.591 . . . . 15.0 109.682 167.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.844 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 9.0 p -81.89 -32.92 30.74 Favored 'General case' 0 N--CA 1.418 -2.025 0 N-CA-C 119.422 3.119 . . . . 15.0 119.422 -172.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 12.8 tp -49.7 -29.75 8.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.446 -1.687 . . . . 15.0 106.446 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 1.024 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 5.8 mp0 -81.96 -49.99 9.65 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.418 -2.174 . . . . 15.0 110.399 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.844 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 62.8 p -80.07 -48.24 13.58 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 117.048 2.24 . . . . 15.0 117.048 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 28' ' ' SER . 6.0 ptpp? -60.96 -9.58 4.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.891 0.769 . . . . 15.0 109.834 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -98.37 -29.39 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.123 178.135 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 30' ' ' GLN . 1.6 pt -85.82 -6.42 10.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 N-CA-C 108.967 -0.753 . . . . 15.0 108.967 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.987 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.5 tm-20 -45.28 -79.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.014 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -48.43 -25.07 1.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.114 -0.948 . . . . 15.0 113.018 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 68.5 m-20 -69.48 139.82 89.49 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.776 -0.453 . . . . 15.0 109.776 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 -8.67 8.12 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.629 2.219 . . . . 15.0 112.123 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.007 ' HB3' HD13 ' A' ' 15' ' ' LEU . 29.6 m-20 -76.06 -32.39 59.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.516 -0.765 . . . . 15.0 111.534 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.987 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -65.76 -32.95 74.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 172.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -89.34 17.36 6.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.313 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.76 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.0 mmtt -73.04 -28.03 62.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 173.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 52' ' ' LEU . 54.0 mt -117.29 136.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.36 -0.837 . . . . 15.0 109.722 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.36 -51.95 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 15.0 111.65 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 2.9 p-10 -88.58 150.5 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.665 0.745 . . . . 15.0 111.422 -174.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.608 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 27.0 t70 -107.34 27.1 9.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.546 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -114.65 -16.42 11.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.007 0.908 . . . . 15.0 110.481 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.8 t -95.04 -30.21 4.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.705 -1.134 . . . . 15.0 109.837 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 97.7 mtt180 -54.74 -47.78 73.4 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.913 -0.585 . . . . 15.0 112.146 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.126 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.42 -25.49 38.97 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.438 -0.905 . . . . 15.0 112.35 -177.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 16.0 m -64.7 -9.77 22.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.422 0.629 . . . . 15.0 110.178 169.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 17.4 mt -74.46 -50.26 19.04 Favored 'General case' 0 CA--C 1.459 -2.532 0 CA-C-O 125.698 2.666 . . . . 15.0 113.798 -175.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CZ ' ' HA ' ' A' ' 27' ' ' TRP 0.541 0.0 OUTLIER -77.54 -30.69 52.87 Favored 'General case' 2 C--N 1.199 -5.963 1 CA-C-N 107.313 -4.494 . . . . 15.0 110.41 -163.005 . . . . . . . . 6 4 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 2.3 mt-10 -63.89 -40.64 96.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.723 -1.581 . . . . 15.0 109.808 169.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.628 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 12.8 mm-40 -67.66 -49.96 60.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.371 -0.832 . . . . 15.0 110.982 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.125 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 26.2 t90 -68.96 -16.62 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.355 1.074 . . . . 15.0 111.354 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 52.4 t -62.53 -50.03 72.97 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.679 -1.6 . . . . 15.0 109.036 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.81 41.32 2.26 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.066 -1.213 . . . . 15.0 110.066 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.045 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.0 tp10 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.591 -0.805 . . . . 15.0 110.323 -172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 108.222 -1.029 . . . . 15.0 108.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 pt 40.87 88.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 114.255 -1.339 . . . . 15.0 111.65 -168.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -170.78 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.477 -1.859 0 CA-C-O 125.682 2.658 . . . . 15.0 113.654 -172.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.573 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -71.05 -24.13 62.28 Favored 'General case' 1 C--N 1.198 -6.0 1 CA-C-N 106.298 -4.955 . . . . 15.0 109.395 176.741 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 52' ' ' LEU . 31.5 ptt85 -61.29 -50.3 73.56 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.884 -1.053 . . . . 15.0 111.43 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.967 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 46.6 m-80 -66.81 -10.4 47.33 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.898 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.835 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp -65.98 -45.97 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 170.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.853 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.0 m-85 -75.06 -50.77 15.36 Favored 'General case' 0 C--O 1.174 -2.919 0 CA-C-O 117.229 -1.367 . . . . 15.0 113.055 -171.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.115 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.356 0.1 OUTLIER -39.76 -44.61 1.6 Allowed 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 124.772 1.229 . . . . 15.0 110.204 163.151 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -64.68 -48.17 75.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.453 -0.573 . . . . 15.0 109.453 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.035 HD13 ' HB2' ' A' ' 39' ' ' ASP . 7.5 mt -61.73 -32.57 72.81 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.687 -0.857 . . . . 15.0 108.687 171.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.066 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.8 m-30 -77.73 -26.07 49.74 Favored 'General case' 0 N--CA 1.393 -3.281 0 N-CA-C 108.408 -0.96 . . . . 15.0 108.408 -167.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.42 -44.57 19.1 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.278 -0.874 . . . . 15.0 110.12 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.06 -30.63 62.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.131 -0.94 . . . . 15.0 110.494 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.541 ' HD2' HG22 ' A' ' 34' ' ' ILE . 13.1 m-30 -101.29 3.05 40.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.84 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 50.69 59.93 4.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.756 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' A' ' 30' ' ' GLN . 56.7 mt -81.28 146.68 30.29 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 122.734 1.254 . . . . 15.0 111.252 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.3 m-20 -77.31 91.04 3.78 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 112.386 -2.188 . . . . 15.0 106.355 169.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.999 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -66.14 -23.92 66.57 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.671 -1.604 . . . . 15.0 111.241 -171.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -99.79 -12.0 20.31 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.739 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -83.45 -84.05 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 15.0 111.799 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -124.99 163.96 21.18 Favored 'General case' 0 CA--C 1.466 -2.286 0 CA-C-O 122.21 1.005 . . . . 15.0 109.074 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.104 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.2 t-105 -78.51 -52.28 8.74 Favored 'General case' 0 C--N 1.275 -2.664 0 CA-C-N 113.516 -1.674 . . . . 15.0 109.792 168.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.874 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.337 6.1 p -81.67 -34.58 30.65 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 118.937 2.939 . . . . 15.0 118.937 -171.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -49.86 -28.44 6.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.28 -1.748 . . . . 15.0 106.28 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 1.004 ' HB3' HD13 ' A' ' 21' ' ' LEU . 12.9 mp0 -81.86 -50.21 9.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 112.771 -2.013 . . . . 15.0 110.213 173.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.874 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 29.2 p -80.26 -34.76 36.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.469 2.396 . . . . 15.0 117.469 -176.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.3 ptmm? -67.39 -9.55 42.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.433 -1.321 . . . . 15.0 107.433 170.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 24.3 ttmm -95.7 -49.08 5.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.501 -1.681 . . . . 15.0 110.158 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 30' ' ' GLN . 2.7 pt -81.97 -5.83 9.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 121.262 0.553 . . . . 15.0 110.625 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 27.5 tt0 -44.67 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.181 1.178 . . . . 15.0 114.181 -174.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.53 -14.17 4.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.77 -1.105 . . . . 15.0 113.185 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.95 158.89 85.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 15.0 111.064 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.66 -8.91 23.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.813 2.342 . . . . 15.0 112.611 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.035 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.3 p-10 -79.96 -42.53 23.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.658 -0.246 . . . . 15.0 110.504 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.843 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -49.08 -40.07 30.34 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.494 0.664 . . . . 15.0 110.47 174.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -84.31 18.2 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.677 . . . . 15.0 112.41 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 67.7 mmtt -81.86 -30.1 32.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 15.0 111.398 177.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.853 HG12 ' CE1' ' A' ' 12' ' ' PHE . 28.9 mm -97.84 137.73 24.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.821 -0.352 . . . . 15.0 110.504 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.658 ' HD3' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -60.28 -22.71 63.45 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.855 -0.611 . . . . 15.0 112.011 -177.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.78 ' H ' HG22 ' A' ' 43' ' ' ILE . 27.9 m-20 -127.03 134.94 50.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.671 0.272 . . . . 15.0 110.99 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' HD2' ' A' ' 49' ' ' ARG . 32.1 t70 -68.72 -26.63 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.977 -0.749 . . . . 15.0 108.977 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -67.66 -9.27 41.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.008 -0.996 . . . . 15.0 111.518 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' HG21 ' A' ' 43' ' ' ILE . 53.5 t -106.59 -23.48 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.791 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 88.7 mtt180 -58.88 -50.15 75.09 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.002 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.104 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.38 -22.39 41.36 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 119.035 -1.066 . . . . 15.0 112.122 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.4 m -60.55 -15.79 31.1 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.011 -0.676 . . . . 15.0 110.336 165.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.791 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -80.26 -51.44 8.92 Favored 'General case' 0 CA--C 1.461 -2.451 0 CA-C-O 125.492 2.568 . . . . 15.0 113.746 -171.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' HD1' ' HG2' ' A' ' 54' ' ' GLU 0.519 0.1 OUTLIER -40.29 -44.84 1.99 Allowed 'General case' 2 C--N 1.209 -5.535 1 CA-C-N 106.793 -4.73 . . . . 15.0 112.079 171.535 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.575 ' HG2' ' HD1' ' A' ' 53' ' ' PHE . 2.9 mt-10 -62.93 -49.86 73.09 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.514 -0.767 . . . . 15.0 110.588 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HB3' HH11 ' A' ' 9' ' ' ARG . 5.7 mm-40 -60.76 -50.37 73.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.123 -178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.115 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 37.7 t90 -63.29 -30.43 71.57 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.579 1.18 . . . . 15.0 111.3 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 46.5 t -60.25 -49.1 78.96 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.098 -1.865 . . . . 15.0 109.415 -177.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.76 36.95 3.96 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.327 -1.109 . . . . 15.0 110.327 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.771 -0.714 . . . . 15.0 109.933 -173.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 109.358 -0.608 . . . . 15.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.833 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 32.5 pt 23.45 91.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 124.776 1.297 . . . . 15.0 114.143 -174.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.58 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.0 t70 -168.16 -59.74 0.02 OUTLIER 'General case' 0 CA--C 1.462 -2.428 0 CA-C-O 126.666 3.127 . . . . 15.0 110.477 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -63.95 -40.33 96.19 Favored 'General case' 1 C--N 1.196 -6.093 1 CA-C-N 103.732 -6.122 . . . . 15.0 110.578 -178.772 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.833 ' HE ' ' HA ' ' A' ' 6' ' ' ILE . 11.4 ptp180 -66.37 -47.85 72.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.061 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.948 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 9.5 m-80 -66.69 -17.41 64.84 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 123.448 0.699 . . . . 15.0 109.622 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.889 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 40.3 mm -61.92 -44.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.924 169.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.4 m-85 -72.52 -51.11 21.35 Favored 'General case' 0 C--O 1.175 -2.862 0 CA-C-O 117.028 -1.463 . . . . 15.0 111.976 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.105 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.39 0.2 OUTLIER -39.55 -43.64 1.32 Allowed 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 125.193 1.397 . . . . 15.0 110.256 163.493 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.683 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 9.9 tp10 -62.94 -50.49 70.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.244 1.021 . . . . 15.0 109.859 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.028 HD13 ' HB3' ' A' ' 39' ' ' ASP . 8.3 mt -61.92 -32.78 73.21 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 113.469 -1.696 . . . . 15.0 108.775 172.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 5.7 m-30 -80.1 -24.55 40.48 Favored 'General case' 0 N--CA 1.387 -3.575 0 N-CA-C 107.2 -1.407 . . . . 15.0 107.2 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 13' ' ' PHE . 32.1 t70 -80.44 -45.53 17.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.25 -0.886 . . . . 15.0 109.876 170.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm180 -50.17 -34.52 22.76 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.911 -1.495 . . . . 15.0 111.506 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -113.52 8.01 17.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.777 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 50.43 74.51 0.22 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 114.858 -1.065 . . . . 15.0 111.742 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.915 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -82.68 167.8 17.87 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-O 121.622 0.725 . . . . 15.0 110.806 -177.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.46 96.61 8.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.553 -1.647 . . . . 15.0 106.553 163.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.937 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -67.67 -26.38 66.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.704 -1.589 . . . . 15.0 111.156 -171.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.16 -49.26 7.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 15.0 112.007 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -45.87 -79.61 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -168.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.77 155.02 45.62 Favored 'General case' 0 CA--C 1.467 -2.214 0 CA-C-O 121.949 0.881 . . . . 15.0 109.485 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.121 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.0 t-105 -69.77 -51.67 31.9 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 113.449 -1.705 . . . . 15.0 109.421 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.871 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.311 2.9 p -81.32 -25.18 36.64 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 117.768 2.507 . . . . 15.0 117.768 -173.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.626 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.4 OUTLIER -46.84 -35.18 6.04 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 105.348 -2.093 . . . . 15.0 105.348 171.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.915 ' HB3' HD12 ' A' ' 21' ' ' LEU . 7.6 mm-40 -81.63 -50.63 9.1 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.857 -1.974 . . . . 15.0 111.568 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.871 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 5.5 p -73.83 -44.07 56.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.628 2.084 . . . . 15.0 116.628 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.722 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.63 -9.8 15.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.262 0.937 . . . . 15.0 109.051 178.573 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 20.3 ptmt -107.71 -42.76 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.292 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.725 HD13 ' HE1' ' A' ' 16' ' ' PHE . 3.1 pt -76.48 -12.52 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.297 -177.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 5.9 pt-20 -62.04 -27.29 68.78 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.823 0.344 . . . . 15.0 111.826 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -81.22 -2.39 48.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.281 0.562 . . . . 15.0 110.393 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -101.34 143.39 26.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.5 -0.926 . . . . 15.0 108.5 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.61 -3.9 10.01 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.387 2.058 . . . . 15.0 111.223 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.119 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 39.9 m-20 -79.59 -29.66 41.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.813 -1.085 . . . . 15.0 111.275 -177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -65.4 -34.42 78.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 171.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -84.71 9.78 13.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.812 -1.085 . . . . 15.0 110.844 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.119 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mptt -63.09 -32.32 73.66 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.179 0.514 . . . . 15.0 109.764 173.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.503 HD12 HD11 ' A' ' 52' ' ' LEU . 69.3 mt -117.49 138.15 49.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.318 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -68.29 -39.03 82.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.436 -0.347 . . . . 15.0 111.887 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.73 125.83 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.375 0.607 . . . . 15.0 112.015 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 23.0 t70 -78.05 -26.05 48.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.307 -0.86 . . . . 15.0 110.247 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -63.9 -10.79 22.79 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.483 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.4 t -105.93 -25.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.482 177.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.5 mtt180 -58.05 -43.92 87.15 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.666 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.121 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.73 -20.92 41.73 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 113.994 1.109 . . . . 15.0 113.994 -179.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -65.2 -9.82 26.6 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.812 -0.755 . . . . 15.0 111.116 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 16.8 mt -73.9 -50.41 20.32 Favored 'General case' 0 CA--C 1.457 -2.601 0 CA-C-O 125.775 2.702 . . . . 15.0 114.273 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 57' ' ' CYS 0.541 0.0 OUTLIER -72.61 -31.84 65.48 Favored 'General case' 2 C--N 1.199 -5.978 1 CA-C-N 107.344 -4.48 . . . . 15.0 110.072 -165.635 . . . . . . . . 6 4 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 2.3 mt-10 -57.09 -47.66 80.49 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.836 -1.529 . . . . 15.0 109.905 173.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.635 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 36.2 mt-10 -68.71 -50.3 51.93 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.282 -176.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.105 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 48.4 t90 -63.93 -24.29 67.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.183 0.992 . . . . 15.0 111.438 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 42.0 t -62.19 -50.16 72.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.654 -1.612 . . . . 15.0 109.743 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.01 43.61 1.68 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 109.874 -1.29 . . . . 15.0 109.874 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.847 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.452 -0.785 . . . . 15.0 110.082 -174.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 122.284 1.04 . . . . 15.0 111.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.0 mm 64.32 33.16 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.56 0 CA-C-O 125.802 2.715 . . . . 15.0 110.814 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.19 2.57 1.15 Allowed 'General case' 0 C--N 1.247 -3.86 1 CA-C-N 107.265 -4.516 . . . . 15.0 115.572 169.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.706 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.49 -37.25 28.22 Favored 'General case' 1 C--N 1.241 -4.123 0 CA-C-N 110.797 -2.911 . . . . 15.0 107.772 174.56 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.645 ' HA ' HD22 ' A' ' 52' ' ' LEU . 34.1 ptt85 -66.47 -50.3 63.76 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.286 -2.234 . . . . 15.0 112.112 -168.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.898 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 41.4 m-80 -65.3 -13.04 57.53 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.485 -173.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.836 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 66.4 mt -66.47 -50.06 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.817 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 4.4 m-85 -69.15 -50.61 46.31 Favored 'General case' 0 C--O 1.17 -3.12 0 CA-C-O 117.187 -1.387 . . . . 15.0 112.732 -170.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.118 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.447 0.7 OUTLIER -39.47 -44.77 1.44 Allowed 'General case' 0 N--CA 1.512 2.652 0 C-N-CA 125.738 1.615 . . . . 15.0 111.085 165.985 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.94 -45.23 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.291 -1.003 . . . . 15.0 108.291 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.902 HD13 ' HB3' ' A' ' 39' ' ' ASP . 5.6 mt -64.93 -30.62 71.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.121 171.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.049 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.2 m-30 -75.54 -30.08 59.62 Favored 'General case' 0 N--CA 1.395 -3.181 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 -170.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -80.49 -41.89 23.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.48 169.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 18' ' ' ARG . 14.1 ttm180 -55.69 -27.72 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.235 -0.893 . . . . 15.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 15' ' ' LEU . 79.3 m-85 -114.15 9.52 17.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.116 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 44.71 77.96 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.937 -1.029 . . . . 15.0 112.906 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD13 ' HB3' ' A' ' 30' ' ' GLN . 17.4 mt -87.17 -168.78 2.36 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.89 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.916 ' H ' ' CG ' ' A' ' 30' ' ' GLN . 15.8 m-20 -130.8 107.19 8.96 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.031 -1.47 . . . . 15.0 107.031 168.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.957 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -82.31 -6.74 59.45 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 114.119 -1.4 . . . . 15.0 110.141 -162.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 66.6 t80 -127.85 -28.81 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.245 -1.343 . . . . 15.0 110.841 -173.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 19.7 m -60.25 -74.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.573 -0.74 . . . . 15.0 111.61 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.16 164.71 27.06 Favored 'General case' 0 CA--C 1.461 -2.451 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 174.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.12 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.7 t-105 -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.274 -2.714 0 CA-C-N 114.097 -1.41 . . . . 15.0 110.312 168.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.835 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.316 2.0 p -81.49 -26.89 34.83 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 118.952 2.945 . . . . 15.0 118.952 -170.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 1.4 tt -52.05 -30.34 25.24 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 121.655 2.025 . . . . 15.0 106.073 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.916 ' CG ' ' H ' ' A' ' 22' ' ' ASP . 3.8 mp0 -81.77 -47.3 13.05 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 112.111 -2.313 . . . . 15.0 109.564 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.015 ' HA ' HD11 ' A' ' 34' ' ' ILE 0.253 60.4 p -80.28 -23.98 40.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 118.597 2.814 . . . . 15.0 118.597 -179.135 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.768 ' HG2' ' O ' ' A' ' 28' ' ' SER . 22.0 ptmt -76.8 -9.98 59.06 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.082 -1.451 . . . . 15.0 107.082 168.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.4 ttmp? -88.61 -70.75 0.63 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.508 -1.678 . . . . 15.0 112.228 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.015 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -57.85 -27.96 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 113.808 1.04 . . . . 15.0 113.808 -177.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.875 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 1.2 tm-20 -28.54 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.044 1.338 . . . . 15.0 114.31 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.402 HD22 ' C ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -61.74 29.32 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.381 1.252 . . . . 15.0 114.381 178.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' GLU . 19.7 m-20 -123.4 142.22 38.21 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 174.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' O ' ' HE3' ' A' ' 42' ' ' LYS . 50.3 Cg_exo -55.31 -24.05 40.66 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.064 2.51 . . . . 15.0 112.871 -176.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.902 ' HB3' HD13 ' A' ' 15' ' ' LEU . 17.1 m-20 -71.51 -43.37 66.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.565 -175.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.875 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 82.3 t80 -73.22 -10.08 59.39 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.718 -0.614 . . . . 15.0 109.899 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -92.25 1.28 57.31 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.628 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.817 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 8.0 mmpt? -54.61 -53.72 50.97 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.111 0.481 . . . . 15.0 110.523 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 8' ' ' GLU . 44.8 mm -91.02 130.67 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.259 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -59.32 -51.38 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.805 . . . . 15.0 111.413 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -83.06 123.25 29.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.271 0.558 . . . . 15.0 111.235 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.7 t70 -76.26 -29.01 57.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.398 -0.819 . . . . 15.0 110.584 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' OE2' ' A' ' 50' ' ' GLU . 10.7 t -73.24 2.02 8.21 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.249 0.547 . . . . 15.0 111.144 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.0 t -106.73 -28.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 172.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 96.0 mtt180 -57.3 -42.81 82.48 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 115.195 -0.911 . . . . 15.0 111.642 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.12 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.51 -31.77 37.06 Favored 'General case' 0 N--CA 1.432 -1.367 0 C-N-CA 119.171 -1.012 . . . . 15.0 112.791 -176.238 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.3 m -63.7 -9.78 15.88 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.341 0.591 . . . . 15.0 110.157 171.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 25.3 mt -70.6 -50.17 39.99 Favored 'General case' 0 CA--C 1.464 -2.341 0 CA-C-O 125.39 2.519 . . . . 15.0 113.961 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.75 ' HB2' ' CE2' ' A' ' 16' ' ' PHE 0.533 0.0 OUTLIER -79.87 -28.76 39.94 Favored 'General case' 2 C--N 1.204 -5.723 1 CA-C-N 107.955 -4.202 . . . . 15.0 110.624 -158.567 . . . . . . . . 6 4 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.609 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 1.6 mt-10 -60.76 -36.8 79.86 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 112.935 -1.939 . . . . 15.0 109.919 170.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.65 -50.17 39.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.289 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.118 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 23.5 t90 -69.62 -14.42 62.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 122.596 1.188 . . . . 15.0 111.223 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 24' ' ' PHE . 14.2 t -62.85 -50.24 71.71 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 113.782 -1.554 . . . . 15.0 110.124 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.3 26.85 21.57 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.025 -1.23 . . . . 15.0 110.025 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.048 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 5.1 tp10 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.225 -0.988 . . . . 15.0 110.058 -173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.225 -0.192 0 CA-C-O 121.605 0.717 . . . . 15.0 110.222 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG22 ' HD3' ' A' ' 9' ' ' ARG . 40.3 pt 43.0 93.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 114.514 -1.221 . . . . 15.0 113.699 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -173.72 -52.46 0.01 OUTLIER 'General case' 0 CA--C 1.47 -2.118 0 CA-C-O 126.911 3.243 . . . . 15.0 110.189 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.564 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.79 -30.71 40.68 Favored 'General case' 1 C--N 1.197 -6.033 1 CA-C-N 103.694 -6.139 . . . . 15.0 111.05 -176.562 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 52' ' ' LEU . 18.1 ptt180 -57.23 -50.34 73.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.513 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.93 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 43.1 m-80 -62.72 -19.72 64.2 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.943 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.844 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.0 mt -58.98 -49.44 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.794 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 3.7 m-85 -70.38 -51.02 32.8 Favored 'General case' 0 C--O 1.17 -3.112 0 CA-C-O 116.621 -1.657 . . . . 15.0 112.385 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.14 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.368 0.3 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 N--CA 1.511 2.584 0 C-N-CA 125.423 1.489 . . . . 15.0 110.631 165.239 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.38 -43.26 86.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.044 -0.354 . . . . 15.0 110.044 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.056 HD13 ' HB3' ' A' ' 39' ' ' ASP . 9.7 mt -64.71 -31.61 72.91 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 170.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.072 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.5 m-30 -75.91 -29.86 58.55 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 108.453 -0.943 . . . . 15.0 108.453 -169.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.23 -46.12 16.81 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.995 -1.002 . . . . 15.0 110.803 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.92 -28.91 62.58 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.807 -1.088 . . . . 15.0 110.927 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -111.09 11.56 21.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.08 -0.711 . . . . 15.0 109.08 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 3.6 mptp? 48.28 84.51 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 114.564 -1.198 . . . . 15.0 112.972 175.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.946 HD13 ' HB3' ' A' ' 30' ' ' GLN . 48.5 mt -97.45 147.85 23.8 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 122.487 1.137 . . . . 15.0 111.36 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 5.2 m-20 -87.06 81.99 7.88 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 112.669 -2.06 . . . . 15.0 105.818 168.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.967 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -53.65 -19.81 4.49 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.39 -2.187 . . . . 15.0 112.985 -163.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -108.47 -3.71 17.91 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 t -79.4 -76.56 0.2 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.861 0.362 . . . . 15.0 111.206 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -136.07 161.9 34.42 Favored 'General case' 0 CA--C 1.456 -2.67 0 N-CA-C 107.798 -1.186 . . . . 15.0 107.798 174.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.15 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 5.4 t-105 -67.53 -52.9 33.42 Favored 'General case' 0 C--N 1.269 -2.923 0 C-N-CA 117.096 -1.842 . . . . 15.0 109.957 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.865 ' HB2' ' HG2' ' A' ' 32' ' ' LYS 0.448 2.7 p -82.86 -30.62 28.48 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 120.556 3.539 . . . . 15.0 120.556 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 0.6 OUTLIER -48.02 -34.05 8.85 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 105.524 -2.028 . . . . 15.0 105.524 177.488 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.946 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -82.28 -50.75 8.61 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 112.783 -2.008 . . . . 15.0 111.704 173.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.725 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 95.1 p -74.1 -14.65 61.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.327 1.603 . . . . 15.0 115.327 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.865 ' HG2' ' HB2' ' A' ' 28' ' ' SER . 11.0 mmmm -65.56 -9.54 27.36 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 166.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 8.7 mtpm? -102.55 -9.88 19.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.312 -171.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.688 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -113.49 -27.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.706 -1.134 . . . . 15.0 109.093 173.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.705 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 23.3 tt0 -27.68 -83.78 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.966 1.307 . . . . 15.0 114.471 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 15.0 112.154 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 1.9 m-20 -93.89 141.92 24.37 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.955 -0.757 . . . . 15.0 108.955 174.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.68 -25.72 35.01 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.96 2.44 . . . . 15.0 113.053 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.056 ' HB3' HD13 ' A' ' 15' ' ' LEU . 16.5 m-20 -80.04 -25.57 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.496 0.554 . . . . 15.0 112.496 -174.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.705 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 48.2 t80 -71.27 -23.0 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.153 -0.684 . . . . 15.0 109.153 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -88.52 7.95 30.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.215 -0.902 . . . . 15.0 110.827 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 32.1 mmtp -66.67 -28.54 68.54 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.422 -0.585 . . . . 15.0 109.422 173.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 12' ' ' PHE . 37.6 mm -110.67 126.88 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.514 -0.767 . . . . 15.0 109.792 175.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.3 -59.69 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.966 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.8 m-20 -80.29 116.44 20.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.471 -0.786 . . . . 15.0 111.22 -174.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 24.3 t70 -63.21 -29.88 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.454 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -2.46 17.57 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.305 0.574 . . . . 15.0 110.878 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 58.0 t -104.99 -24.07 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 15.0 109.792 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 79.8 mtt180 -64.07 -48.21 77.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.35 0.595 . . . . 15.0 111.003 -177.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.15 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.75 -9.86 59.77 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.273 1.035 . . . . 15.0 113.28 178.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.707 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 21.4 m -74.06 -9.42 58.61 Favored 'General case' 0 C--N 1.277 -2.566 0 O-C-N 121.709 -0.619 . . . . 15.0 110.076 161.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 9' ' ' ARG . 47.2 mt -77.54 -50.07 13.37 Favored 'General case' 0 CA--C 1.467 -2.243 0 CA-C-O 125.191 2.424 . . . . 15.0 113.847 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.7 ' HD1' ' O ' ' A' ' 50' ' ' GLU 0.52 0.0 OUTLIER -79.91 -32.87 40.21 Favored 'General case' 2 C--N 1.204 -5.747 0 CA-C-N 108.666 -3.879 . . . . 15.0 109.4 -162.311 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.707 ' OE2' ' HA ' ' A' ' 51' ' ' SER . 4.1 pt-20 -59.13 -33.85 71.37 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 112.729 -2.032 . . . . 15.0 110.597 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' OE1' ' HD2' ' A' ' 9' ' ' ARG . 26.9 mt-10 -80.34 -50.46 10.12 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 111.932 0.345 . . . . 15.0 111.932 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.14 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 30.7 t90 -62.72 -19.92 64.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.068 0.937 . . . . 15.0 111.404 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.4 t -62.98 -49.99 72.51 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.129 -1.396 . . . . 15.0 110.171 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.43 45.78 1.27 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.817 -1.313 . . . . 15.0 109.817 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.918 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.592 -0.718 . . . . 15.0 109.903 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 CA--C 1.5 -0.964 0 CA-C-O 122.108 0.956 . . . . 15.0 108.726 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.593 HG22 ' HD3' ' A' ' 9' ' ' ARG . 27.3 pt 28.72 89.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 112.288 -2.233 . . . . 15.0 114.236 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -168.35 -51.9 0.02 OUTLIER 'General case' 0 CA--C 1.466 -2.271 0 CA-C-O 126.491 3.043 . . . . 15.0 111.492 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.485 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -74.83 -25.24 58.86 Favored 'General case' 1 C--N 1.197 -6.041 1 CA-C-N 104.6 -5.727 . . . . 15.0 109.26 -178.939 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.9 ptt180 -54.01 -50.41 66.68 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.74 -1.118 . . . . 15.0 110.567 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.937 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 36.7 m-80 -62.57 -20.53 64.79 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.093 -175.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.853 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 49.0 mm -61.3 -44.18 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 174.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.765 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -77.09 -50.76 12.32 Favored 'General case' 0 C--O 1.172 -3.022 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.835 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.097 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.374 0.2 OUTLIER -39.17 -44.33 1.19 Allowed 'General case' 0 N--CA 1.511 2.616 0 CA-C-N 120.404 1.456 . . . . 15.0 110.117 164.639 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 1.1 tm-20 -64.71 -48.12 75.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.174 -0.676 . . . . 15.0 109.174 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.853 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.6 mt -63.78 -31.04 72.08 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.39 171.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.031 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.1 m-30 -77.49 -26.36 51.2 Favored 'General case' 0 N--CA 1.398 -3.038 0 N-CA-C 107.809 -1.182 . . . . 15.0 107.809 -168.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -80.23 -45.9 17.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.813 -1.085 . . . . 15.0 110.11 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 18' ' ' ARG . 41.3 ttp180 -62.6 -21.88 65.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.739 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.82 7.34 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.731 -0.47 . . . . 15.0 109.731 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 45.54 67.53 0.72 Allowed 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.722 -1.126 . . . . 15.0 112.571 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.932 HD13 ' HB3' ' A' ' 30' ' ' GLN . 25.4 mt -81.87 144.41 31.02 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 122.296 1.046 . . . . 15.0 111.162 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -82.91 86.37 6.96 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 113.007 -1.906 . . . . 15.0 106.36 170.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -59.08 -27.77 65.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.084 -1.871 . . . . 15.0 111.854 -165.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -96.48 -14.97 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.621 0.6 . . . . 15.0 112.621 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -69.44 -74.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.136 0.493 . . . . 15.0 111.405 -171.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -148.85 161.62 41.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 107.802 -1.185 . . . . 15.0 107.802 179.198 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.155 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 11.5 t-105 -68.87 -52.44 29.65 Favored 'General case' 0 C--N 1.271 -2.826 0 C-N-CA 116.963 -1.895 . . . . 15.0 109.455 174.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.823 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.373 3.0 p -82.44 -24.34 34.36 Favored 'General case' 0 N--CA 1.423 -1.798 0 N-CA-C 119.718 3.229 . . . . 15.0 119.718 -176.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB2' ' OG1' ' A' ' 26' ' ' THR . 4.1 tt -51.85 -33.16 35.06 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 105.087 -2.19 . . . . 15.0 105.087 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.932 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -82.43 -50.21 9.12 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.444 -2.162 . . . . 15.0 111.279 175.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.823 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 11.2 p -78.55 -10.14 59.61 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 117.207 2.299 . . . . 15.0 117.207 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.01 -9.82 59.72 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 169.166 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 48.2 mmtt -85.49 -68.41 0.73 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.054 -1.884 . . . . 15.0 111.029 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.95 ' HB ' ' HB2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -57.76 -31.58 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.881 0.697 . . . . 15.0 112.881 -176.205 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.778 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-10 -38.12 117.15 0.58 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.205 1.003 . . . . 15.0 112.599 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 87.16 -0.06 0.52 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 112.087 -2.324 . . . . 15.0 111.249 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -90.39 143.17 28.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.006 -0.739 . . . . 15.0 109.006 170.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.94 -27.57 64.17 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.911 2.408 . . . . 15.0 113.018 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.726 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.2 m-20 -62.66 -48.77 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.174 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.95 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 54.5 t80 -70.09 -11.35 60.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.826 -175.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -94.38 4.4 53.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.623 -0.262 . . . . 15.0 111.568 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.624 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 64.2 mmtt -63.35 -44.81 93.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.63 0.253 . . . . 15.0 111.292 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.765 HG12 ' CE1' ' A' ' 12' ' ' PHE . 36.2 mm -89.26 131.07 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -58.26 -43.92 88.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.035 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.55 123.55 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.443 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 22.4 t70 -77.52 -21.98 51.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.126 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -74.39 -2.42 25.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.335 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 87.2 t -110.43 -24.57 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.244 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 95.6 mtt180 -56.29 -49.77 73.31 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.29 0.567 . . . . 15.0 111.422 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.155 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.95 -10.28 59.73 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 113.882 1.067 . . . . 15.0 113.882 177.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.8 m -76.83 -9.73 58.88 Favored 'General case' 0 C--N 1.28 -2.455 0 C-N-CA 119.463 -0.895 . . . . 15.0 110.138 163.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' ARG . 32.7 mt -75.58 -44.46 43.04 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-O 125.191 2.424 . . . . 15.0 114.126 -174.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 54' ' ' GLU 0.517 0.0 OUTLIER -79.74 -28.94 40.43 Favored 'General case' 2 C--N 1.204 -5.757 0 CA-C-N 108.534 -3.939 . . . . 15.0 110.038 -160.854 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.58 ' HG2' ' CD1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -56.06 -38.13 70.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.065 -1.879 . . . . 15.0 109.81 171.362 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.05 -50.69 18.54 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.568 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.097 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.2 t90 -68.25 -18.93 64.67 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.281 1.039 . . . . 15.0 111.01 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.1 t -65.23 -47.78 75.59 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 113.409 -1.723 . . . . 15.0 109.258 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.73 40.29 2.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.12 -1.192 . . . . 15.0 110.12 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.957 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.085 -173.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 pt 42.11 92.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.835 1.254 . . . . 15.0 114.085 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 179.43 -44.74 0.01 OUTLIER 'General case' 0 CA--C 1.471 -2.069 0 CA-C-O 126.602 3.096 . . . . 15.0 111.505 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.59 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -79.94 -18.59 50.08 Favored 'General case' 1 C--N 1.196 -6.101 1 CA-C-N 104.775 -5.648 . . . . 15.0 110.564 179.775 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.802 ' HA ' HD22 ' A' ' 52' ' ' LEU . 15.2 ptt180 -58.45 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.505 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.935 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 39.1 m-80 -63.45 -22.46 66.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.125 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.817 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 63.7 mt -60.43 -46.9 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.862 ' HE1' ' HB2' ' A' ' 42' ' ' LYS . 2.7 m-85 -70.48 -50.76 34.67 Favored 'General case' 0 C--O 1.173 -2.946 0 CA-C-O 116.655 -1.64 . . . . 15.0 112.291 -174.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.08 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.4 0.4 OUTLIER -39.32 -47.03 1.67 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.024 1.33 . . . . 15.0 110.439 164.14 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.25 -39.34 86.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.936 0.398 . . . . 15.0 110.256 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 11.1 mt -70.58 -28.9 65.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 171.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.056 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.0 m-30 -79.86 -25.3 40.75 Favored 'General case' 0 N--CA 1.393 -3.302 0 N-CA-C 106.804 -1.554 . . . . 15.0 106.804 -171.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' PHE . 31.9 t70 -80.33 -46.55 15.93 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.202 . . . . 15.0 109.864 171.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.8 ttp180 -59.05 -24.61 63.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.598 -1.183 . . . . 15.0 111.183 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -105.1 -2.59 24.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 120.592 -0.443 . . . . 15.0 109.826 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.599 ' NZ ' ' HB2' ' A' ' 20' ' ' LYS . 5.2 mtmp? 54.39 72.53 0.45 Allowed 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.457 -0.792 . . . . 15.0 110.654 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -82.63 166.13 19.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 121.679 0.752 . . . . 15.0 110.456 -177.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.591 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 19.0 m-20 -96.32 86.09 4.12 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.817 -1.549 . . . . 15.0 106.817 166.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.975 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.52 -31.21 71.95 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 112.772 -2.013 . . . . 15.0 110.941 -169.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -101.13 -2.29 31.81 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.847 -0.615 . . . . 15.0 112.619 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 t -80.74 -79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.087 0.47 . . . . 15.0 110.773 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -144.53 153.1 41.49 Favored 'General case' 0 CA--C 1.467 -2.236 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.127 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 14.8 t-105 -67.23 -51.41 53.52 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 113.845 -1.525 . . . . 15.0 109.233 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.822 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.268 2.3 p -81.28 -23.84 37.65 Favored 'General case' 0 N--CA 1.416 -2.128 0 N-CA-C 117.414 2.376 . . . . 15.0 117.414 -173.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.7 tt -53.52 -28.72 32.86 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.532 -2.025 . . . . 15.0 105.532 173.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.919 ' HB3' HD12 ' A' ' 21' ' ' LEU . 9.3 mm-40 -81.67 -50.32 9.45 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 113.179 -1.828 . . . . 15.0 110.569 173.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.067 ' HA ' HD11 ' A' ' 34' ' ' ILE . 54.4 p -78.64 -24.71 45.11 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 117.866 2.543 . . . . 15.0 117.866 -175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 28' ' ' SER . 9.3 ptmm? -80.16 -10.69 59.77 Favored 'General case' 0 C--N 1.313 -1.022 0 O-C-N 120.609 -1.307 . . . . 15.0 107.496 166.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 62.7 tttp -86.02 -67.59 0.8 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.76 -1.564 . . . . 15.0 112.105 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.067 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -52.97 -45.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 120.923 0.392 . . . . 15.0 111.774 -177.314 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.795 ' H ' HD12 ' A' ' 34' ' ' ILE . 2.4 tm-20 17.92 -102.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.534 1.934 . . . . 15.0 114.934 -177.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 6.9 p30 -72.82 5.53 3.15 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.227 1.195 . . . . 15.0 114.227 -172.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.03 144.16 67.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.015 -0.428 . . . . 15.0 110.597 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.98 -27.74 55.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.322 2.681 . . . . 15.0 112.407 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 18' ' ' ARG . 1.1 m-20 -62.2 -50.01 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.321 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.908 ' HB2' ' HB ' ' A' ' 34' ' ' ILE . 73.7 t80 -74.99 -10.16 59.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.107 0.48 . . . . 15.0 110.722 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 36' ' ' ASN . 17.3 m-30 -100.16 10.58 41.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.444 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.862 ' HB2' ' HE1' ' A' ' 12' ' ' PHE . 74.3 mmtt -69.84 -21.97 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.207 0.527 . . . . 15.0 110.199 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.75 HD12 HD11 ' A' ' 52' ' ' LEU . 72.0 mt -122.17 125.96 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 15.0 109.818 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.859 -0.609 . . . . 15.0 112.392 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.58 119.44 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.205 0.526 . . . . 15.0 111.624 -174.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 26.4 t70 -72.78 -25.51 61.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.09 -0.959 . . . . 15.0 110.316 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.06 1.28 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 15.0 111.984 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.4 t -107.03 -26.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 172.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.9 mtt180 -60.34 -48.76 80.35 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.856 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.127 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.82 -14.04 58.4 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 114.057 1.132 . . . . 15.0 114.057 179.313 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' OE2' ' A' ' 54' ' ' GLU . 49.5 m -71.62 -9.68 58.62 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.56 -0.856 . . . . 15.0 110.378 165.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.1 mt -76.97 -50.4 13.29 Favored 'General case' 0 CA--C 1.46 -2.504 0 CA-C-O 125.959 2.79 . . . . 15.0 113.713 -174.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.852 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.537 0.0 OUTLIER -70.24 -30.63 67.73 Favored 'General case' 2 C--N 1.2 -5.897 1 CA-C-N 107.108 -4.587 . . . . 15.0 110.193 -165.627 . . . . . . . . 6 4 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 3.6 mt-10 -55.87 -50.12 71.48 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.841 -1.527 . . . . 15.0 109.77 172.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.72 -48.81 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.154 -176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.08 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 61.1 t90 -71.39 -20.46 62.14 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.177 0.989 . . . . 15.0 111.656 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 51.1 t -69.76 -50.05 47.07 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.822 -1.081 . . . . 15.0 109.232 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.79 41.18 2.27 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.078 -1.209 . . . . 15.0 110.078 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.832 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.701 -0.749 . . . . 15.0 109.43 -173.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 121.564 0.697 . . . . 15.0 109.965 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 HG22 ' HD3' ' A' ' 9' ' ' ARG . 30.1 pt 39.3 90.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 114.49 -1.232 . . . . 15.0 113.321 -174.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -164.39 -53.86 0.03 OUTLIER 'General case' 0 CA--C 1.468 -2.18 0 CA-C-O 126.657 3.122 . . . . 15.0 110.775 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HB2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -68.08 -30.61 69.84 Favored 'General case' 1 C--N 1.199 -5.96 2 CA-C-N 103.788 -6.096 . . . . 15.0 109.969 -179.938 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.682 ' HA ' HD22 ' A' ' 52' ' ' LEU . 19.4 ptt180 -54.29 -50.14 68.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.113 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.938 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 26.2 m-80 -61.87 -19.86 63.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.663 -0.698 . . . . 15.0 110.904 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.849 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 70.4 mt -60.47 -45.69 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.386 -0.598 . . . . 15.0 109.386 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.709 ' CE1' HG12 ' A' ' 43' ' ' ILE . 3.6 m-85 -73.63 -51.08 17.99 Favored 'General case' 0 C--O 1.176 -2.803 0 CA-C-O 116.828 -1.558 . . . . 15.0 112.447 -173.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.094 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.341 0.2 OUTLIER -39.73 -44.19 1.52 Allowed 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 124.822 1.249 . . . . 15.0 110.155 163.828 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.73 -50.01 68.57 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.504 0.669 . . . . 15.0 109.459 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 39' ' ' ASP . 12.2 mt -60.55 -31.6 70.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.89 -1.05 . . . . 15.0 108.835 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.047 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 6.3 m-30 -79.98 -26.58 39.87 Favored 'General case' 0 N--CA 1.389 -3.489 0 N-CA-C 107.575 -1.269 . . . . 15.0 107.575 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' PHE . 29.5 t70 -80.54 -45.22 17.78 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.927 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 18' ' ' ARG . 32.2 ttt85 -60.58 -24.9 65.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.592 -1.186 . . . . 15.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -104.74 1.02 28.87 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.298 -1.001 . . . . 15.0 108.298 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 39.59 83.17 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.978 -1.465 . . . . 15.0 111.941 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -86.32 164.42 17.11 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 114.295 -1.321 . . . . 15.0 110.073 -177.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.695 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 15.7 m-20 -90.56 79.61 6.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.706 -1.59 . . . . 15.0 106.706 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -62.84 -28.87 70.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.018 -2.356 . . . . 15.0 110.876 -169.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -106.6 28.74 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.838 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -117.77 -80.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.965 0.412 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -142.06 154.56 45.05 Favored 'General case' 0 CA--C 1.47 -2.119 0 CA-C-O 121.777 0.799 . . . . 15.0 109.092 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.138 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 13.8 t-105 -68.53 -51.48 42.56 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.677 -1.602 . . . . 15.0 109.494 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.846 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.284 2.6 p -81.31 -23.76 37.62 Favored 'General case' 0 N--CA 1.412 -2.359 0 N-CA-C 117.005 2.224 . . . . 15.0 117.005 -173.147 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 tp -49.2 -32.57 10.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.096 -1.816 . . . . 15.0 106.096 170.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.986 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -81.8 -50.44 9.23 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.63 -2.077 . . . . 15.0 111.396 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.978 ' HA ' HD11 ' A' ' 34' ' ' ILE . 16.4 p -79.1 -20.78 47.84 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 117.529 2.418 . . . . 15.0 117.529 -175.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -80.24 -15.61 56.6 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.058 -1.46 . . . . 15.0 107.058 165.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 52.7 tttp -84.01 -63.08 1.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 113.394 -1.73 . . . . 15.0 112.516 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.978 HD11 ' HA ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -56.67 -34.77 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -176.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.919 ' H ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -36.62 139.2 0.19 Allowed 'General case' 0 N--CA 1.428 -1.538 0 CA-C-O 123.388 1.566 . . . . 15.0 112.57 173.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 t30 81.29 -20.45 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 110.02 -3.264 . . . . 15.0 111.549 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 52.7 m-20 -79.02 144.45 63.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.126 -0.359 . . . . 15.0 110.084 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HA ' ' CZ ' ' A' ' 41' ' ' TYR . 26.5 Cg_exo -62.36 -13.7 34.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.656 2.238 . . . . 15.0 112.602 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.942 ' HB3' HD13 ' A' ' 15' ' ' LEU . 53.7 m-20 -80.12 -37.03 34.46 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -175.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CG ' HD13 ' A' ' 34' ' ' ILE . 30.8 t80 -65.54 -30.31 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.226 -0.59 . . . . 15.0 111.133 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.719 ' CZ ' ' HA ' ' A' ' 38' ' ' PRO . 12.3 p90 -99.3 25.96 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.881 -0.728 . . . . 15.0 111.549 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.65 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 35.6 mmtm -63.6 -30.92 71.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.263 0.554 . . . . 15.0 109.791 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.709 HG12 ' CE1' ' A' ' 12' ' ' PHE . 39.5 mm -103.03 135.54 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.117 176.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -58.0 -29.63 65.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.354 -0.839 . . . . 15.0 112.714 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.629 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m-20 -117.84 146.07 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.491 0.663 . . . . 15.0 111.642 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 17.9 t70 -92.56 -28.8 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 15.0 111.116 -175.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -80.93 16.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.93 0.871 . . . . 15.0 109.998 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 t -117.35 -22.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 114.947 -1.024 . . . . 15.0 108.513 169.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.632 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 91.0 mtt180 -63.67 -47.93 79.26 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.139 -0.937 . . . . 15.0 111.255 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.138 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.58 -9.81 59.76 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.695 0.998 . . . . 15.0 113.695 177.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 m -76.42 -9.7 58.85 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 119.567 -0.853 . . . . 15.0 110.615 162.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.682 HD22 ' HA ' ' A' ' 9' ' ' ARG . 49.6 mt -76.11 -46.71 27.55 Favored 'General case' 0 CA--C 1.466 -2.278 0 CA-C-O 125.053 2.359 . . . . 15.0 114.02 -174.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' HD1' ' CD ' ' A' ' 23' ' ' LYS 0.506 0.1 OUTLIER -80.06 -31.58 39.4 Favored 'General case' 2 C--N 1.203 -5.766 0 CA-C-N 108.687 -3.869 . . . . 15.0 110.312 -162.363 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.76 -45.59 74.22 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.718 -1.583 . . . . 15.0 109.331 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.38 -50.49 45.65 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.567 -0.742 . . . . 15.0 112.305 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.094 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 33.4 t90 -66.08 -19.59 65.9 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 122.143 0.973 . . . . 15.0 111.175 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.428 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 53.3 t -64.83 -45.89 84.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.026 -1.443 . . . . 15.0 109.774 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.27 24.99 10.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.519 -1.033 . . . . 15.0 110.519 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.974 ' HB2' ' HA ' ' A' ' 56' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.46 -0.87 . . . . 15.0 109.864 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.514 -0.439 0 N-CA-C 109.16 -0.681 . . . . 15.0 109.16 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 pt 29.92 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 113.821 -1.536 . . . . 15.0 114.198 -176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -166.82 -52.3 0.03 OUTLIER 'General case' 0 CA--C 1.467 -2.236 0 CA-C-O 126.672 3.13 . . . . 15.0 111.002 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.92 -30.59 71.19 Favored 'General case' 1 C--N 1.198 -6.005 1 CA-C-N 104.124 -5.944 . . . . 15.0 110.538 -178.994 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.77 ' HA ' HD22 ' A' ' 52' ' ' LEU . 47.1 ptt85 -55.25 -50.35 69.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.769 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.949 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 24.6 m-80 -59.29 -25.67 64.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.589 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.773 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.4 mt -54.89 -50.09 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 O-C-N 123.499 0.5 . . . . 15.0 109.657 173.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.7 m-85 -71.6 -50.86 26.93 Favored 'General case' 0 C--O 1.167 -3.237 0 CA-C-O 116.63 -1.652 . . . . 15.0 112.293 -172.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.09 ' HB3' ' CD1' ' A' ' 56' ' ' TRP 0.38 0.3 OUTLIER -39.71 -47.39 2.02 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.425 1.466 . . . . 15.0 110.594 165.618 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' ASN . 38.2 mt-10 -69.41 -39.41 77.94 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.582 -0.447 . . . . 15.0 109.983 -177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 10.1 mt -66.32 -32.37 73.73 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 107.813 -1.18 . . . . 15.0 107.813 169.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 1.05 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 4.5 m-30 -77.97 -24.61 48.02 Favored 'General case' 0 N--CA 1.392 -3.346 0 N-CA-C 107.532 -1.284 . . . . 15.0 107.532 -168.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.9 t70 -80.47 -44.85 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.481 0.658 . . . . 15.0 109.994 170.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -58.93 -27.45 65.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.702 -1.136 . . . . 15.0 110.899 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -106.23 11.56 31.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm 39.6 70.08 0.25 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.852 1.345 . . . . 15.0 112.055 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.95 HD12 ' HB3' ' A' ' 30' ' ' GLN . 0.8 OUTLIER -79.08 165.5 23.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.442 -175.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.57 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 5.2 m-20 -97.73 87.31 4.01 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.563 -1.643 . . . . 15.0 106.563 165.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.961 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -63.09 -30.0 71.25 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 112.617 -2.083 . . . . 15.0 110.876 -169.391 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -87.91 -30.4 20.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.522 0.564 . . . . 15.0 112.522 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -63.47 -80.59 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -170.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.52 154.47 47.68 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-O 121.854 0.835 . . . . 15.0 109.27 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.115 ' CD2' ' HB3' ' A' ' 50' ' ' GLU . 8.4 t-105 -66.53 -51.56 55.23 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 113.597 -1.638 . . . . 15.0 108.932 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.872 ' HA ' ' OG ' ' A' ' 31' ' ' SER 0.283 5.5 p -81.36 -31.96 33.14 Favored 'General case' 0 N--CA 1.413 -2.297 0 N-CA-C 117.608 2.447 . . . . 15.0 117.608 -172.173 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 33.9 tp -49.83 -27.98 5.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 175.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.95 ' HB3' HD12 ' A' ' 21' ' ' LEU . 8.2 mm-40 -82.06 -50.31 9.22 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 112.851 -1.977 . . . . 15.0 111.186 170.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.872 ' OG ' ' HA ' ' A' ' 28' ' ' SER . 57.7 p -80.18 -40.9 26.32 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.759 2.133 . . . . 15.0 116.759 -173.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.801 ' HG2' ' O ' ' A' ' 28' ' ' SER . 14.9 ptmm? -64.82 -9.66 22.35 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.965 -1.124 . . . . 15.0 107.965 170.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.09 -51.87 3.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.593 -1.185 . . . . 15.0 110.614 177.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.694 HD13 ' HE1' ' A' ' 16' ' ' PHE . 4.0 pt -73.06 -5.6 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.333 0.587 . . . . 15.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.978 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 9.2 tt0 -45.76 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.419 -1.264 . . . . 15.0 112.242 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -50.08 -27.34 5.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.966 176.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 34' ' ' ILE . 28.3 m-20 -68.17 158.41 84.31 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 15.0 110.875 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.94 2.41 4.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.02 1.813 . . . . 15.0 110.745 168.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' HB3' ' HB ' ' A' ' 34' ' ' ILE . 9.1 t0 -67.76 -50.5 56.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.912 -1.04 . . . . 15.0 109.674 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.978 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.59 -44.47 85.41 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.611 -0.722 . . . . 15.0 111.238 175.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.89 9.74 3.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.152 -0.931 . . . . 15.0 113.099 -165.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . 70.5 mmtt -77.68 -25.9 49.87 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.46 -0.571 . . . . 15.0 109.46 172.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 52' ' ' LEU . 75.9 mt -127.46 126.34 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.444 -0.798 . . . . 15.0 109.358 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 14.0 ptt180 -65.46 -42.87 91.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 15.0 111.348 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.541 ' N ' ' HG3' ' A' ' 44' ' ' ARG . 9.3 m-20 -77.13 106.42 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.197 0.523 . . . . 15.0 111.234 -174.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 25.6 t70 -67.67 -23.94 65.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.533 -0.758 . . . . 15.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -73.4 -6.31 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 15.0 111.339 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.9 t -104.45 -28.82 2.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.592 -0.522 . . . . 15.0 109.592 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 89.2 mtt180 -55.52 -49.44 72.59 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.018 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.115 ' HB3' ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -80.81 -10.12 59.75 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.278 1.214 . . . . 15.0 114.278 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.7 m -71.98 -9.5 58.45 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.183 -1.007 . . . . 15.0 110.446 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 9' ' ' ARG . 19.8 mt -76.86 -50.08 14.23 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-O 125.333 2.492 . . . . 15.0 113.895 -173.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HD2' ' HZ2' ' A' ' 23' ' ' LYS 0.518 0.0 OUTLIER -78.14 -29.99 49.04 Favored 'General case' 2 C--N 1.199 -5.965 0 CA-C-N 108.415 -3.993 . . . . 15.0 110.161 -163.636 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -47.31 69.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.933 -1.485 . . . . 15.0 109.428 171.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.757 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 23.4 mm-40 -75.24 -50.54 15.81 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.668 -0.696 . . . . 15.0 112.018 -172.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.09 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 41.8 t90 -60.98 -23.56 65.45 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.546 1.165 . . . . 15.0 111.312 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.513 ' CA ' ' HG3' ' A' ' 23' ' ' LYS . 42.8 t -68.74 -50.36 51.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.528 -1.669 . . . . 15.0 111.167 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.96 41.87 2.06 Favored Glycine 0 CA--C 1.495 -1.166 0 N-CA-C 109.211 -1.555 . . . . 15.0 109.211 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.757 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 20.5 tt0 . . . . . 0 N--CA 1.435 -1.184 0 CA-C-N 114.626 -0.787 . . . . 15.0 110.898 -170.504 . . . . . . . . 1 1 . 1 stop_ save_