data_5hvc_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 5hvc _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.677 ' O ' ' HG3' ' A' 2060 ' ' GLN . 47.1 Cg_exo . . . . . 0 N--CA 1.466 -0.105 0 N-CA-C 113.881 0.685 . . . . 1.09 113.881 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.11 -39.94 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.062 0.226 . . . . 2.45 111.347 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -55.2 -45.65 75.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.235 0.54 . . . . 2.21 109.821 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.503 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.2 mt-30 -63.73 -45.85 88.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.316 -0.857 . . . . 1.5 110.947 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.677 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.4 mt-30 -56.92 -60.61 3.32 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.392 -0.367 . . . . 1.24 110.629 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.505 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.8 mt-30 -52.95 -35.43 58.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.975 0.416 . . . . 1.89 111.794 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' 2059 ' ' GLN . 99.3 m -56.25 -54.13 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 1.24 111.353 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -81.44 -18.01 46.81 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.836 0.827 . . . . 1.88 109.74 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.68 -49.08 64.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.071 -1.422 . . . . 1.08 108.417 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 95.3 m -61.01 -37.63 83.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.98 -1.464 . . . . 1.08 110.296 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' 2109 ' ' ASN . 0.0 OUTLIER -58.52 -58.25 9.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.831 -0.803 . . . . 2.03 108.831 176.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' 2063 ' ' LEU . 52.6 t -53.13 -44.68 52.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.294 -0.866 . . . . 1.09 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.22 -53.36 50.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 1.03 111.595 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.444 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.69 -28.94 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 1.09 110.774 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.81 82.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.641 -0.708 . . . . 1.04 110.402 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.814 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.62 -26.97 24.12 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.934 -0.706 . . . . 1.07 109.991 -176.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.557 ' HB3' ' C ' ' A' 2078 ' ' HIS . . . -49.54 -47.95 48.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.873 -0.788 . . . . 1.07 108.873 167.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 1.17 111.402 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.65 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.5 -40.56 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 112.647 0.61 . . . . 1.15 112.647 -177.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.814 ' HG ' ' O ' ' A' 2071 ' ' THR . 10.3 mt -80.07 -37.29 34.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 1.18 109.773 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.39 12.01 16.29 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.799 -0.715 . . . . 0.93 113.159 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 13.4 p80 -100.17 -7.31 24.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.228 0.514 . . . . 1.23 111.321 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.557 ' C ' ' HB3' ' A' 2072 ' ' ALA . 95.1 m-70 70.86 -31.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.126 1.528 . . . . 1.56 115.126 166.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.8 p -81.38 126.08 77.32 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 118.966 0.803 . . . . 2.1 113.016 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.444 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -85.22 -13.24 6.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.631 2.887 . . . . 0.56 111.205 173.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.19 -18.73 38.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 1.54 110.538 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 18.6 t -92.81 21.61 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.697 . . . . 1.02 110.086 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.439 HG13 ' HB1' ' A' 2068 ' ' ALA . 9.7 mm -105.77 108.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.486 -0.779 . . . . 1.03 110.275 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 48.5 m -86.03 115.57 62.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.346 -0.388 . . . . 0.86 110.678 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.82 -28.12 51.28 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 C-N-CA 122.797 2.331 . . . . 0.18 112.929 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.54 -23.32 40.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.731 -0.668 . . . . 0.98 110.877 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.451 ' O ' HG23 ' A' 2124 ' ' THR . 39.0 m -80.26 146.83 31.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.934 -0.765 . . . . 1.03 108.934 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.55 145.54 27.33 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 1.06 109.596 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.535 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.1 m-85 -50.8 -35.28 31.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.58 -0.736 . . . . 0.16 111.904 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.1 -64.66 0.73 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.091 0.472 . . . . 2.13 110.575 171.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -60.06 -24.36 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.271 -0.877 . . . . 2.27 111.325 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' 2075 ' ' LEU . 88.2 mt -80.52 -12.64 59.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.995 -0.548 . . . . 1.06 112.085 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.6 2.65 14.76 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.247 -0.978 . . . . 0.22 114.3 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.7 mm -64.68 130.72 30.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.203 0.816 . . . . 1.1 113.203 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -103.69 171.57 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.918 -1.037 . . . . 1.86 108.629 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 34.5 p -57.86 -41.69 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.451 0.569 . . . . 1.67 111.092 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' 2101 ' ' GLU . 14.1 tp -60.86 -55.68 30.17 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.954 -0.566 . . . . 2.14 110.59 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.435 HG22 ' OE1' ' A' 2101 ' ' GLU . 0.2 OUTLIER -68.1 -25.78 65.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 113.164 0.802 . . . . 1.07 113.164 -178.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.492 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.46 -24.28 65.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.894 0.854 . . . . 1.06 109.308 170.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -39.16 12.41 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.942 -1.026 . . . . 1.73 109.175 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.8 mt-10 -66.27 -34.92 79.09 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.808 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.82 -52.38 51.12 Favored 'General case' 0 N--CA 1.418 -2.05 0 CA-C-O 121.472 0.653 . . . . 1.76 109.628 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -48.56 -41.32 30.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 2.66 110.755 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.9 m-20 -58.63 -49.51 77.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.44 110.793 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 39.7 m -65.75 -48.17 72.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.423 -0.353 . . . . 1.07 111.561 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' 2106 ' ' LEU . 2.0 mm? -59.82 -49.97 75.64 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 111.933 0.346 . . . . 2.08 111.933 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -28.44 69.86 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.18 0.515 . . . . 1.15 110.329 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.5 t60 -73.54 -48.45 32.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.521 -0.763 . . . . 1.66 110.535 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.425 ' HB3' HD12 ' A' 2066 ' ' LEU . 9.6 m-80 -67.51 -44.61 78.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.119 -0.946 . . . . 0.45 112.402 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 58.6 p -74.01 -25.49 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.772 0.796 . . . . 1.1 109.377 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.24 5.05 87.7 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.039 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -96.44 -160.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.406 0.622 . . . . 1.23 110.157 -178.15 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -135.19 120.41 18.91 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.109 -0.951 . . . . 0.43 109.694 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 71.4 mt -129.4 157.4 76.38 Favored Pre-proline 0 C--N 1.306 -1.312 0 CA-C-N 114.502 -1.226 . . . . 1.84 110.886 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.592 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.1 Cg_endo -80.68 149.95 18.66 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 123.017 2.478 . . . . 0.39 111.972 176.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.88 5.05 2.73 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.251 1.967 . . . . 0.52 111.598 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 21.1 p -101.42 0.38 36.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 1.12 111.646 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 2115 ' ' PRO . 56.1 mt -38.02 -62.86 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.734 0.778 . . . . 1.5 112.094 173.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.494 ' O ' ' HB3' ' A' 2123 ' ' PRO . 7.9 mm -60.05 -21.95 23.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 113.826 -1.533 . . . . 1.07 111.748 -174.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -90.73 -34.66 15.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.383 -0.371 . . . . 0.45 111.778 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.73 -32.72 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 1.34 111.333 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -129.5 71.04 82.13 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 108.583 -0.895 . . . . 0.52 108.583 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.628 ' O ' HG22 ' A' 2124 ' ' THR . 28.5 Cg_endo -91.9 102.89 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.045 0 C-N-CA 121.878 1.719 . . . . 0.31 112.438 -171.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.628 HG22 ' O ' ' A' 2123 ' ' PRO . 1.5 p 167.2 155.54 0.12 Allowed Pre-proline 0 C--N 1.321 -0.638 0 C-N-CA 127.546 2.339 . . . . 1.03 105.359 161.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 44.0 Cg_exo -55.18 -39.55 90.39 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 121.276 1.492 . . . . 0.14 109.999 172.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' 2130 ' ' GLN . 60.0 t60 -62.04 -48.65 79.29 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.029 -0.532 . . . . 0.5 111.58 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -54.63 -41.36 69.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.144 0.497 . . . . 1.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' 2089 ' ' PHE . 52.3 mt -76.9 -32.85 57.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.157 -0.474 . . . . 0.98 111.731 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 89.4 m -58.18 -31.96 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.954 0.883 . . . . 1.08 108.936 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.7 mm100 -80.38 -42.94 21.92 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.785 -1.098 . . . . 1.66 111.058 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -63.59 -52.76 59.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.412 0.153 . . . . 0.41 111.412 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.18 -34.76 78.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.744 -0.207 . . . . 1.72 111.518 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -66.69 -37.05 83.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.342 -0.614 . . . . 0.35 109.342 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.4 m -63.41 -52.34 61.96 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.775 -0.648 . . . . 1.15 110.25 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.45 ' HB3' HD12 ' A' 2112 ' ' LEU . 10.7 mmm180 -51.71 -48.56 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.841 0.682 . . . . 1.97 112.841 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.35 -31.95 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.37 0.507 . . . . 1.61 112.37 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.051 0.453 . . . . 1.11 110.985 -177.257 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.667 ' O ' ' HG3' ' A' 2060 ' ' GLN . 48.0 Cg_exo . . . . . 0 N--CA 1.462 -0.343 0 N-CA-C 113.529 0.55 . . . . 1.09 113.529 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2057 ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 59.8 tt0 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.556 0.206 . . . . 2.45 111.556 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -61.0 -42.7 98.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.325 0.583 . . . . 2.21 109.554 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.518 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.2 mt-30 -63.39 -39.07 93.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.25 -0.886 . . . . 1.5 110.67 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' A' 2056 ' ' PRO . 48.3 mt-30 -58.24 -60.93 3.0 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 110.197 -0.297 . . . . 1.24 110.197 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.506 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 75.3 mt-30 -51.24 -34.75 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.506 0.504 . . . . 1.89 111.9 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.4 m -57.08 -51.64 68.46 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.557 -0.747 . . . . 1.24 111.286 173.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.585 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 7.4 mt -78.41 -22.06 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.783 0.802 . . . . 1.88 109.323 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -66.88 -49.64 65.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.104 -1.407 . . . . 1.08 108.363 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 90.1 m -66.6 -35.3 79.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.861 -1.518 . . . . 1.08 110.427 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.585 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 15.3 tp -58.92 -62.88 1.55 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.612 -0.722 . . . . 2.03 110.449 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.464 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.5 t -53.79 -41.91 49.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.18 -1.373 . . . . 1.09 110.935 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.471 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -62.65 -51.07 68.69 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.002 -0.999 . . . . 1.03 111.41 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.485 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.95 -28.08 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.13 0.491 . . . . 1.09 110.876 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.44 74.34 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.765 -0.652 . . . . 1.04 110.395 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.774 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.4 t -87.82 -22.99 24.17 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.953 -0.699 . . . . 1.07 109.863 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.481 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -51.79 -44.82 63.58 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.66 -0.867 . . . . 1.07 108.66 165.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.3 m -70.15 -52.09 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.338 -0.846 . . . . 1.17 110.765 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -58.53 -41.68 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 113.408 0.892 . . . . 1.15 113.408 -175.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.774 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.8 mt -82.52 -18.9 39.9 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-O 121.274 0.559 . . . . 1.18 110.215 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 87.69 39.38 7.15 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.556 -0.747 . . . . 0.93 113.499 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.407 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 11.8 p80 -125.38 -7.83 6.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.288 0.544 . . . . 1.23 111.414 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.481 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.2 m-70 69.97 -23.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.627 1.714 . . . . 1.56 115.627 166.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.8 p -89.54 124.51 64.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 119.311 0.96 . . . . 2.1 113.064 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.485 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.87 -15.85 5.6 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.868 3.046 . . . . 0.56 111.177 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.17 -19.82 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 1.54 110.523 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 16.1 t -94.5 21.63 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 1.02 110.195 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2068 ' ' ALA . 9.7 mm -103.22 117.12 48.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.653 -0.703 . . . . 1.03 110.277 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 36.5 m -84.48 108.79 15.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.202 -0.454 . . . . 0.86 110.282 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.44 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 23.2 Cg_endo -66.78 -28.52 43.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.444 2.096 . . . . 0.18 112.484 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.01 57.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.654 -0.703 . . . . 0.98 111.273 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.492 ' O ' HG23 ' A' 2124 ' ' THR . 33.3 m -75.39 148.13 39.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.085 -0.709 . . . . 1.03 109.085 175.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.12 144.44 29.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.222 -0.899 . . . . 1.06 109.861 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.503 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.8 m-85 -48.09 -39.44 20.3 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.705 0.628 . . . . 0.16 111.986 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.29 -65.48 0.56 Allowed 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 123.718 0.636 . . . . 2.13 110.675 175.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.28 -28.26 66.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.085 -0.961 . . . . 2.27 111.206 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' 2089 ' ' PHE . 88.7 mt -73.6 -14.87 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 1.06 112.618 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.65 8.08 11.35 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.847 -1.168 . . . . 0.22 113.35 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' 2089 ' ' PHE . 4.6 mm -74.8 127.72 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.364 0.602 . . . . 1.1 112.253 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.74 -178.65 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.86 109.446 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 6.5 p -63.57 -43.22 97.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 1.67 110.914 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.585 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.6 tp -59.99 -56.71 18.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.432 -0.804 . . . . 2.14 110.616 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -25.66 64.76 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 113.151 0.797 . . . . 1.07 113.151 -178.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.491 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -24.48 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.903 0.859 . . . . 1.06 109.374 170.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.683 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.98 -40.12 11.85 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.631 -1.168 . . . . 1.73 109.191 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.1 mt-10 -66.77 -33.09 74.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.171 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' 2106 ' ' LEU . 13.9 tp -65.06 -55.61 17.85 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 116.175 -0.466 . . . . 1.76 110.658 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.683 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -57.47 -30.96 65.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.431 -0.804 . . . . 2.66 110.55 176.111 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' 2101 ' ' GLU . 87.5 m-20 -58.93 -54.21 49.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.036 0.446 . . . . 0.44 110.29 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 35.2 m -63.0 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 1.07 110.725 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.1 mt -64.46 -50.22 68.35 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.273 -0.421 . . . . 2.08 111.174 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' 2103 ' ' ARG . 0.4 OUTLIER -60.92 -29.22 69.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.331 0.586 . . . . 1.15 110.327 -178.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.27 -46.11 57.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.324 -0.853 . . . . 1.66 110.709 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -73.17 -34.6 66.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.19 -0.913 . . . . 0.45 112.484 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.588 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 55.3 p -86.26 -26.81 24.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.361 0.6 . . . . 1.1 110.757 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.19 4.62 89.83 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.412 -0.813 . . . . 0.36 111.093 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.588 ' CD1' ' HB ' ' A' 2110 ' ' THR . 6.8 mt -91.8 -174.6 3.88 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.653 0.74 . . . . 1.23 110.557 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -128.42 116.05 19.16 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.474 -1.239 . . . . 0.43 109.68 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -120.19 152.52 54.71 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 114.254 -1.339 . . . . 1.84 110.94 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -75.91 158.5 38.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.251 2.634 . . . . 0.39 111.907 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.483 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.4 Cg_endo -76.19 2.3 7.35 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.237 1.958 . . . . 0.52 111.195 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.9 p -102.89 4.15 37.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.534 -0.757 . . . . 1.12 111.919 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 12.2 mt -41.05 -64.16 0.58 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.451 0.643 . . . . 1.5 112.438 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.499 HG23 HG22 ' A' 2094 ' ' ILE . 8.7 mm -55.97 -24.55 17.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.151 -1.386 . . . . 1.07 111.74 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -88.53 -28.54 20.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.095 -0.502 . . . . 0.45 111.57 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.32 -36.89 14.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.245 0.545 . . . . 1.34 111.005 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -130.68 77.82 74.98 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.472 -0.936 . . . . 0.52 108.472 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.684 ' O ' HG22 ' A' 2124 ' ' THR . 32.9 Cg_endo -91.98 102.47 0.21 Allowed 'Trans proline' 0 N--CA 1.436 -1.902 0 C-N-CA 121.755 1.637 . . . . 0.31 112.412 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.684 HG22 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 155.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 127.694 2.397 . . . . 1.03 105.344 161.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.44 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 49.2 Cg_exo -55.39 -38.39 93.92 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.38 1.529 . . . . 0.14 110.228 171.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.544 ' O ' ' HG3' ' A' 2130 ' ' GLN . 53.1 t60 -64.27 -46.94 81.52 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.5 111.731 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.29 74.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.985 0.422 . . . . 1.0 111.328 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.23 -32.09 61.04 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 116.437 -0.347 . . . . 0.98 111.451 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 95.0 m -57.2 -30.91 64.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.555 0.693 . . . . 1.08 109.23 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -77.01 -49.05 16.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.016 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' 2135 ' ' ARG . 76.7 t60 -65.14 -52.36 55.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 0.41 111.749 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.88 -32.97 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.084 -0.247 . . . . 1.72 111.202 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -64.16 -37.9 89.13 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.349 0.595 . . . . 0.35 109.428 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 49.8 m -68.57 -33.91 74.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.092 -0.958 . . . . 1.15 110.933 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 2131 ' ' HIS . 14.3 mmm180 -68.53 -42.63 78.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.898 0.332 . . . . 1.97 111.898 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.454 HD23 HD12 ' A' 2112 ' ' LEU . 3.6 mm? -68.79 -37.92 79.62 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.074 0.464 . . . . 1.61 111.984 176.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 1.11 112.385 -169.398 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.9 Cg_exo . . . . . 0 N--CA 1.462 -0.342 0 N-CA-C 114.295 0.844 . . . . 1.09 114.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.03 -36.19 81.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.702 0.287 . . . . 2.45 110.668 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -58.16 -38.96 77.63 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.255 0.55 . . . . 2.21 110.147 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.487 ' O ' ' HB ' ' A' 2062 ' ' THR . 53.9 mt-30 -71.09 -43.01 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.529 -0.759 . . . . 1.5 110.75 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.9 mt-30 -59.51 -61.29 2.74 Favored 'General case' 0 C--O 1.205 -1.257 0 CA-C-N 116.277 -0.42 . . . . 1.24 111.11 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.483 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 91.0 mt-30 -48.23 -35.19 11.48 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.485 0.491 . . . . 1.89 111.903 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' 2059 ' ' GLN . 89.0 m -58.79 -57.09 14.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.447 -0.797 . . . . 1.24 111.409 173.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -76.65 -19.09 58.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.827 0.822 . . . . 1.88 109.592 -176.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -66.44 -50.52 63.1 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.093 -1.412 . . . . 1.08 108.422 175.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.8 m -65.63 -33.19 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.915 -1.493 . . . . 1.08 110.3 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.556 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.0 tp -60.67 -61.62 2.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 2.03 110.75 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 2063 ' ' LEU . 58.1 t -50.1 -45.11 23.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.886 -1.052 . . . . 1.09 110.768 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.508 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.39 -47.44 86.07 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.843 -1.071 . . . . 1.03 111.429 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.54 -30.45 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 1.09 111.18 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -64.72 -45.87 84.7 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.877 -0.602 . . . . 1.04 109.735 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.723 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.6 t -87.39 -25.9 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.154 -0.618 . . . . 1.07 111.235 -176.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.26 -42.83 64.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.73 -0.841 . . . . 1.07 108.73 167.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.9 m -75.38 -48.83 21.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.412 -0.813 . . . . 1.17 111.099 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.1 -40.55 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 113.119 0.785 . . . . 1.15 113.119 -175.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.4 mt -83.56 -14.21 52.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.346 0.593 . . . . 1.18 110.156 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.28 38.59 25.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.93 112.91 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.2 p80 -121.51 -15.68 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.179 0.49 . . . . 1.23 111.274 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 99.4 m-70 66.07 -178.74 0.2 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.371 -0.831 . . . . 1.56 111.266 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 25.6 p 54.09 115.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 114.528 1.307 . . . . 2.1 114.528 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.2 Cg_exo -80.99 -16.69 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.459 3.439 . . . . 0.56 111.085 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -78.89 -17.58 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.386 -0.825 . . . . 1.54 109.872 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -93.74 21.51 6.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.38 0.61 . . . . 1.02 109.853 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.508 HG13 ' HB1' ' A' 2068 ' ' ALA . 12.5 mm -105.96 122.33 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.509 -0.769 . . . . 1.03 110.168 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 18.9 m -87.55 110.62 35.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.337 -0.392 . . . . 0.86 110.511 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.476 ' O ' ' HB ' ' A' 2124 ' ' THR . 30.7 Cg_endo -67.63 -26.57 39.47 Favored 'Trans proline' 0 CA--C 1.514 -0.51 0 C-N-CA 122.739 2.293 . . . . 0.18 112.797 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.64 44.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.002 -0.544 . . . . 0.98 111.055 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.447 ' O ' HG22 ' A' 2124 ' ' THR . 28.0 m -75.95 145.75 40.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.2 -0.667 . . . . 1.03 109.2 174.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.63 142.42 32.77 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.194 -0.912 . . . . 1.06 109.082 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.52 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.0 m-85 -47.27 -37.62 11.02 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.004 0.815 . . . . 0.16 111.774 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.543 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.27 -65.64 0.53 Allowed 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.551 0.532 . . . . 2.13 110.776 174.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.6 t70 -56.0 -31.68 63.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.447 -0.797 . . . . 2.27 111.108 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' 2089 ' ' PHE . 81.8 mt -69.54 -17.43 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.973 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.67 -1.26 11.15 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.511 -0.852 . . . . 0.22 113.416 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -64.32 132.47 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.984 0.735 . . . . 1.1 112.984 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.45 165.45 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.791 -1.095 . . . . 1.86 108.253 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 27.9 t -53.54 -35.13 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 118.706 0.685 . . . . 1.67 111.551 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.7 mt -67.49 -53.74 26.14 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.246 0.546 . . . . 2.14 110.092 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.465 HG21 HG11 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.85 -26.27 65.06 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 1.07 112.303 178.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.28 -24.41 64.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.887 0.851 . . . . 1.06 109.405 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -37.49 14.07 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.633 -1.167 . . . . 1.73 109.005 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' 2097 ' ' LEU . 26.9 mt-10 -66.19 -36.96 84.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.988 -0.551 . . . . 0.46 111.315 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.426 HD23 ' CA ' ' A' 2071 ' ' THR . 11.1 mt -54.61 -62.09 1.88 Allowed 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.219 0.533 . . . . 1.76 109.685 173.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -48.81 -39.74 26.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.232 -1.349 . . . . 2.66 111.171 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -57.15 -53.1 61.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.44 111.314 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 99.8 m -71.51 -40.23 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 1.07 111.19 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' 2107 ' ' THR . 0.6 OUTLIER -72.45 -42.92 64.46 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 123.439 0.695 . . . . 2.08 112.01 -174.188 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.52 ' N ' HD23 ' A' 2106 ' ' LEU . 1.3 t -69.69 -27.04 64.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.307 -0.627 . . . . 1.15 109.307 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.03 -52.71 32.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.324 -0.853 . . . . 1.66 110.255 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -63.29 -37.33 86.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.256 -0.883 . . . . 0.45 112.661 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.5 p -83.02 -19.08 37.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.46 0.648 . . . . 1.1 110.298 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 73.08 6.71 69.17 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.265 -0.879 . . . . 0.36 111.307 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.576 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.6 mt -86.99 -171.85 3.7 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.613 0.72 . . . . 1.23 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.9 t70 -134.26 109.7 9.03 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.589 -1.187 . . . . 0.43 109.941 174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' 2112 ' ' LEU . 2.7 mm? -121.88 154.24 60.76 Favored Pre-proline 0 C--N 1.298 -1.645 0 CA-C-N 113.718 -1.583 . . . . 1.84 111.123 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.637 ' O ' ' HG ' ' A' 2118 ' ' LEU . 87.8 Cg_endo -77.03 152.2 31.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 123.134 2.556 . . . . 0.39 111.487 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.5 -7.01 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.214 1.943 . . . . 0.52 111.389 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -91.24 4.26 52.74 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.765 -0.652 . . . . 1.12 111.748 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.7 mt -39.36 -61.31 0.8 Allowed 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.968 0.889 . . . . 1.5 111.306 171.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' 2099 ' ' ALA . 9.8 mm -56.18 -25.63 20.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.362 -1.745 . . . . 1.07 111.902 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -90.36 -34.51 15.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.856 0.36 . . . . 0.45 111.602 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -85.82 -32.66 21.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.592 0.71 . . . . 1.34 110.744 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -132.15 75.93 73.98 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 108.279 -1.008 . . . . 0.52 108.279 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.689 ' O ' HG21 ' A' 2124 ' ' THR . 32.4 Cg_endo -91.55 102.96 0.23 Allowed 'Trans proline' 0 N--CA 1.436 -1.862 0 C-N-CA 121.403 1.402 . . . . 0.31 112.74 -171.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.689 HG21 ' O ' ' A' 2123 ' ' PRO . 3.3 p 166.82 158.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 127.944 2.498 . . . . 1.03 105.146 158.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.474 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.1 Cg_exo -55.75 -37.89 95.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 CA-C-N 121.405 1.538 . . . . 0.14 110.113 170.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.425 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 53.5 t60 -67.64 -42.0 82.95 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.728 -0.669 . . . . 0.5 112.03 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.5 80.52 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.105 0.479 . . . . 1.0 110.615 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 46.9 mt -75.46 -26.72 58.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 0.98 111.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.489 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 31.9 m -60.47 -28.83 68.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.648 0.737 . . . . 1.08 109.118 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.26 -53.15 6.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.205 -0.907 . . . . 1.66 110.665 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -61.45 -49.98 74.63 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.159 0.429 . . . . 0.41 112.159 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.409 HD12 HD22 ' A' 2106 ' ' LEU . 2.6 mm? -67.41 -28.58 68.03 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.991 -0.284 . . . . 1.72 111.415 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -67.19 -45.03 78.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.756 -0.831 . . . . 0.35 108.756 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 84.9 m -58.74 -38.05 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.012 -0.995 . . . . 1.15 111.509 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -63.23 -44.53 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 1.97 111.611 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.45 HD22 HD23 ' A' 2112 ' ' LEU . 90.9 mt -75.13 -32.06 61.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.751 0.648 . . . . 1.61 112.751 -175.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 121.337 0.589 . . . . 1.11 111.925 -174.009 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.699 ' O ' ' HG3' ' A' 2060 ' ' GLN . 33.7 Cg_exo . . . . . 0 N--CA 1.466 -0.144 0 N-CA-C 114.096 0.768 . . . . 1.09 114.096 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.58 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.604 0.24 . . . . 2.45 111.319 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -66.96 -42.01 85.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.08 0.467 . . . . 2.21 110.0 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.499 ' O ' ' HB ' ' A' 2062 ' ' THR . 45.0 mt-30 -59.89 -41.64 92.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.646 -0.706 . . . . 1.5 109.61 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.699 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.43 -59.05 6.08 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.401 -0.818 . . . . 1.24 110.651 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.452 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 78.8 mt-30 -52.17 -34.48 45.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.085 0.469 . . . . 1.89 111.924 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.8 m -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.721 -0.672 . . . . 1.24 111.129 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -78.74 -18.41 54.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.889 0.852 . . . . 1.88 109.29 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -66.26 -44.22 84.29 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.125 -1.398 . . . . 1.08 108.737 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.7 m -61.95 -39.25 91.46 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 113.873 -1.512 . . . . 1.08 110.132 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -55.81 30.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.536 -0.756 . . . . 2.03 108.996 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' 2063 ' ' LEU . 70.5 t -52.04 -47.6 42.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.053 -0.976 . . . . 1.09 111.275 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.417 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -65.57 -49.32 69.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.32 -0.855 . . . . 1.03 111.567 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.39 70.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.177 0.513 . . . . 1.09 110.671 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.04 82.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.54 -0.755 . . . . 1.04 110.531 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.784 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.5 t -86.45 -25.01 25.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.05 -0.66 . . . . 1.07 110.475 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.592 ' HA ' ' NE2' ' A' 2077 ' ' HIS . . . -48.84 -49.23 40.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.13 -0.693 . . . . 1.07 109.13 166.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.6 m -67.73 -49.17 63.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.43 -0.804 . . . . 1.17 110.99 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.564 0.95 . . . . 1.15 113.564 -175.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -80.31 -16.53 54.41 Favored 'General case' 0 CA--C 1.523 -0.067 0 O-C-N 121.952 -0.467 . . . . 1.18 110.297 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.98 27.01 11.5 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.844 -0.693 . . . . 0.93 113.422 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.592 ' NE2' ' HA ' ' A' 2072 ' ' ALA . 5.3 p80 -121.63 1.28 10.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.397 0.598 . . . . 1.23 111.758 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.462 ' C ' ' HB1' ' A' 2072 ' ' ALA . 81.4 m-70 67.66 -54.1 0.49 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.466 1.654 . . . . 1.56 115.466 168.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.505 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 3.5 t -91.73 144.94 30.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.17 -1.012 . . . . 2.1 112.102 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -84.67 -1.62 9.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 124.979 3.786 . . . . 0.56 111.67 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.2 -11.54 59.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.365 -0.834 . . . . 1.54 111.603 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.0 t -118.45 21.68 12.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 1.02 110.538 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.45 HD13 HG21 ' A' 2071 ' ' THR . 23.2 mm -96.13 106.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.03 110.389 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 17.9 m -83.11 112.7 40.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.251 -0.432 . . . . 0.86 110.133 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.493 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.58 -27.63 53.46 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 122.593 2.195 . . . . 0.18 112.499 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.09 53.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.481 -0.781 . . . . 0.98 111.2 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.427 ' O ' HG22 ' A' 2124 ' ' THR . 35.4 m -78.48 146.68 34.28 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.546 0.689 . . . . 1.03 109.362 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -81.43 140.36 34.7 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.968 -1.015 . . . . 1.06 109.419 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.498 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.8 m-85 -46.71 -34.71 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.82 -1.082 . . . . 0.16 112.217 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.59 -64.99 0.64 Allowed 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 123.392 0.433 . . . . 2.13 110.755 173.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.61 -24.74 65.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.577 -0.738 . . . . 2.27 111.343 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' 2089 ' ' PHE . 85.7 mt -76.32 -14.72 60.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 1.06 111.903 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.57 11.7 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.21 -0.995 . . . . 0.22 113.825 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.507 HG21 HG22 ' A' 2119 ' ' ILE . 2.8 mm -63.78 130.87 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.763 0.653 . . . . 1.1 112.763 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -107.81 175.61 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.919 -0.771 . . . . 1.86 108.919 170.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 14.8 m -60.87 -32.54 71.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.055 0.455 . . . . 1.67 111.223 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' 2101 ' ' GLU . 59.6 mt -70.1 -52.56 22.76 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.917 -0.583 . . . . 2.14 110.11 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.477 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -70.49 -26.59 63.68 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.631 -0.713 . . . . 1.07 112.619 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.37 -23.64 65.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.025 0.917 . . . . 1.06 109.262 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.08 -35.95 15.16 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.56 -1.2 . . . . 1.73 109.305 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' A' 2098 ' ' THR . 25.2 mt-10 -66.01 -38.76 89.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.547 . . . . 0.46 110.782 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' 2071 ' ' THR . 6.3 mt -54.69 -64.82 0.71 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.229 -0.441 . . . . 1.76 111.358 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.596 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -49.9 -36.33 26.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.169 -0.923 . . . . 2.66 110.684 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' 2103 ' ' ARG . 18.8 m-20 -60.38 -46.3 90.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.44 111.069 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -72.44 -42.91 64.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 1.07 110.824 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' 2102 ' ' LEU . 85.9 mt -67.14 -52.16 45.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 2.08 111.674 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.3 t -65.04 -27.62 68.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.083 0.468 . . . . 1.15 110.106 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -64.66 -55.87 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 1.66 110.405 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.42 -43.68 96.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.79 -1.096 . . . . 0.45 112.597 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.528 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.7 p -75.3 -22.1 57.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.723 0.773 . . . . 1.1 109.79 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.97 3.72 88.23 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.889 -1.051 . . . . 0.36 111.509 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.528 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.1 mt -83.36 -173.74 4.88 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 114.702 -0.749 . . . . 1.23 111.181 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.01 119.37 27.49 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.164 -1.38 . . . . 0.43 108.872 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.411 ' HB3' HD11 ' A' 2118 ' ' LEU . 63.4 mt -135.44 149.5 69.72 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.765 -1.107 . . . . 1.84 111.275 -170.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.87 158.62 27.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.505 2.803 . . . . 0.39 111.96 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.9 Cg_endo -77.16 3.49 6.64 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.208 1.939 . . . . 0.52 111.401 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 -0.38 42.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.652 -0.704 . . . . 1.12 111.678 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' 2114 ' ' LEU . 18.4 mt -39.28 -63.34 0.56 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.669 0.747 . . . . 1.5 112.689 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.3 mm -57.35 -24.91 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.044 -1.435 . . . . 1.07 111.6 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -90.17 -29.16 18.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.401 0.619 . . . . 0.45 111.222 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.64 -35.58 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.269 -0.878 . . . . 1.34 111.028 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -137.11 77.64 42.17 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.038 -1.097 . . . . 0.52 108.038 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.728 ' O ' HG21 ' A' 2124 ' ' THR . 12.2 Cg_endo -90.88 103.4 0.27 Allowed 'Trans proline' 0 N--CA 1.437 -1.811 0 C-N-CA 121.894 1.73 . . . . 0.31 112.393 -170.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.728 HG21 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.86 155.45 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 127.739 2.416 . . . . 1.03 104.842 160.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.5 Cg_exo -55.33 -37.68 94.4 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 CA-C-N 121.359 1.521 . . . . 0.14 110.164 172.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.531 ' O ' ' HG3' ' A' 2130 ' ' GLN . 59.6 t60 -65.93 -48.42 71.44 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.597 -0.729 . . . . 0.5 111.732 177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.36 74.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.1 0.409 . . . . 1.0 111.307 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' 2128 ' ' LEU . 27.9 mt -71.51 -36.85 71.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.549 -0.296 . . . . 0.98 111.445 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.5 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 87.0 m -58.04 -26.45 62.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.712 0.768 . . . . 1.08 109.549 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' 2126 ' ' HIS . 7.1 mt-30 -80.59 -50.58 9.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.04 -0.982 . . . . 1.66 110.186 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.2 t60 -65.0 -48.17 74.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.941 0.4 . . . . 0.41 111.527 -174.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 2128 ' ' LEU . 20.8 mt -64.53 -30.9 71.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.997 -0.547 . . . . 1.72 111.031 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -67.46 -43.07 81.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.814 -0.81 . . . . 0.35 108.814 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 59.6 m -60.69 -31.72 70.96 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.096 -0.956 . . . . 1.15 111.502 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' 2131 ' ' HIS . 21.1 mmm180 -73.32 -31.79 64.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.733 0.301 . . . . 1.97 111.472 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.414 HD22 HD22 ' A' 2112 ' ' LEU . 95.0 mt -82.31 -43.68 17.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.863 0.363 . . . . 1.61 111.667 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.447 -0.599 0 CA-C-N 115.977 -0.556 . . . . 1.11 111.34 -175.17 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.676 ' O ' ' HG3' ' A' 2060 ' ' GLN . 6.7 Cg_exo . . . . . 0 N--CA 1.458 -0.614 0 N-CA-C 113.73 0.627 . . . . 1.09 113.73 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.89 -40.74 97.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.061 0.226 . . . . 2.45 111.191 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -56.08 -47.95 77.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.52 -0.548 . . . . 2.21 109.52 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.487 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.3 mt-30 -59.58 -43.81 93.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.487 -0.779 . . . . 1.5 110.659 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.676 ' HG3' ' O ' ' A' 2056 ' ' PRO . 43.1 mt-30 -58.82 -57.79 11.48 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 116.2 -0.454 . . . . 1.24 110.473 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.472 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 98.1 mt-30 -55.23 -35.9 65.42 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 123.346 0.404 . . . . 1.89 111.394 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.6 m -56.62 -53.8 53.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.791 -0.64 . . . . 1.24 111.188 173.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.2 -17.91 53.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.001 0.905 . . . . 1.88 109.572 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -67.76 -46.29 72.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.024 -1.444 . . . . 1.08 108.345 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.5 m -64.59 -36.28 83.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.054 -1.43 . . . . 1.08 110.457 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -58.11 10.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.054 -0.721 . . . . 2.03 109.054 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.425 ' HA ' HD23 ' A' 2106 ' ' LEU . 53.0 t -55.32 -45.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.063 -0.971 . . . . 1.09 110.977 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.71 -46.11 83.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.206 -0.906 . . . . 1.03 111.196 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.49 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.95 -33.34 74.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.241 0.543 . . . . 1.09 110.719 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.22 92.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.273 -0.876 . . . . 1.04 110.46 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.721 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -88.39 -24.75 22.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.998 -0.681 . . . . 1.07 110.925 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.14 47.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.059 -0.719 . . . . 1.07 109.059 165.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.6 m -72.56 -50.92 22.3 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.879 -1.055 . . . . 1.17 110.962 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.66 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -57.66 -42.82 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 113.273 0.842 . . . . 1.15 113.273 -175.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.1 mt -77.49 -15.41 59.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.317 0.579 . . . . 1.18 110.307 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 83.8 35.56 15.82 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.484 -0.78 . . . . 0.93 112.939 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 25.1 p80 -120.68 -14.52 8.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.12 -0.632 . . . . 1.23 112.053 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 65.37 161.33 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.918 -0.583 . . . . 1.56 112.5 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.0 t 43.6 138.68 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 126.369 1.868 . . . . 2.1 115.186 -170.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.49 ' HB3' ' N ' ' A' 2069 ' ' ALA . 1.9 Cg_endo -83.21 -2.42 10.67 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 124.837 3.692 . . . . 0.56 111.91 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.51 -7.95 47.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.409 -0.814 . . . . 1.54 111.248 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.1 t -117.04 14.07 14.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.979 -0.555 . . . . 1.02 110.254 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.443 HD13 HG23 ' A' 2071 ' ' THR . 29.2 mm -89.68 120.05 37.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.056 -0.52 . . . . 1.03 110.568 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 9.3 m -89.53 109.4 31.49 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.985 -0.552 . . . . 0.86 110.206 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.493 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.6 Cg_endo -66.13 -26.99 49.62 Favored 'Trans proline' 0 CA--C 1.513 -0.558 0 C-N-CA 122.551 2.167 . . . . 0.18 112.491 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.69 52.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.541 -0.754 . . . . 0.98 111.38 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.484 ' O ' HG22 ' A' 2124 ' ' THR . 47.5 m -75.67 145.99 40.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.322 0.582 . . . . 1.03 109.488 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -82.42 144.17 30.67 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.065 -0.97 . . . . 1.06 109.69 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.53 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.7 m-85 -48.82 -38.83 23.27 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 123.845 0.716 . . . . 0.16 111.917 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.49 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.14 -65.33 0.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.111 -0.495 . . . . 2.13 110.948 172.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.91 -23.67 65.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.491 -0.777 . . . . 2.27 111.544 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' 2089 ' ' PHE . 89.8 mt -76.03 -21.19 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.343 -0.39 . . . . 1.06 111.915 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.49 11.43 6.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.289 -0.958 . . . . 0.22 113.583 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.53 HG13 ' HB3' ' A' 2089 ' ' PHE . 2.0 mm -70.63 130.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.889 0.7 . . . . 1.1 112.889 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.65 177.41 4.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.845 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 19.4 m -64.76 -38.0 89.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.103 0.411 . . . . 1.67 110.489 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.8 tp -60.59 -54.65 42.85 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 123.44 0.696 . . . . 2.14 110.737 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -71.25 -26.8 63.06 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 112.85 0.685 . . . . 1.07 112.85 -179.284 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.486 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.83 -23.35 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.819 0.818 . . . . 1.06 109.276 170.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.36 -37.48 14.84 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.863 -1.062 . . . . 1.73 108.825 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' 2097 ' ' LEU . 28.8 mt-10 -65.1 -37.77 88.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.095 -0.502 . . . . 0.46 110.835 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.4 mt -56.36 -60.0 4.15 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.12 0.486 . . . . 1.76 110.223 171.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.5 OUTLIER -47.72 -45.56 28.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.598 -1.183 . . . . 2.66 110.948 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -53.69 -53.29 54.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.44 111.174 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.3 m -67.69 -43.64 79.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 1.07 111.338 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 2102 ' ' LEU . 74.5 mt -67.33 -48.47 67.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 2.08 111.605 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.52 -28.19 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.102 0.477 . . . . 1.15 110.017 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.88 -51.54 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 1.66 110.399 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.61 -39.54 94.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.217 -0.901 . . . . 0.45 112.24 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 43.0 p -78.33 -26.28 46.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.652 0.739 . . . . 1.1 109.64 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.08 8.71 83.5 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.928 -1.033 . . . . 0.36 112.211 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -101.48 -160.38 0.79 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.13 0.491 . . . . 1.23 109.728 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -135.69 121.89 20.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.358 -0.837 . . . . 0.43 110.009 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.93 157.76 76.99 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 114.643 -1.162 . . . . 1.84 111.21 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.61 ' O ' ' HG ' ' A' 2118 ' ' LEU . 79.3 Cg_endo -79.52 153.95 23.87 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.264 2.642 . . . . 0.39 111.696 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.01 2.92 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.083 1.856 . . . . 0.52 111.352 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 18.6 p -96.6 -1.09 47.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.815 -0.629 . . . . 1.12 111.889 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' 2115 ' ' PRO . 87.2 mt -38.33 -59.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.712 0.768 . . . . 1.5 111.79 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.486 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.0 mm -57.31 -25.7 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 113.778 -1.556 . . . . 1.07 111.681 -175.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -90.9 -34.69 15.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.07 0.462 . . . . 0.45 111.48 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.95 -29.97 26.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.34 110.878 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -136.52 75.42 51.2 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.11 -1.071 . . . . 0.52 108.11 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.691 ' O ' HG21 ' A' 2124 ' ' THR . 34.0 Cg_endo -91.95 103.31 0.22 Allowed 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 121.71 1.606 . . . . 0.31 112.37 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.691 HG21 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.6 155.96 0.13 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 127.743 2.417 . . . . 1.03 105.027 160.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 38.2 Cg_exo -55.34 -37.48 94.57 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 121.268 1.489 . . . . 0.14 110.337 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.424 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 75.0 t60 -69.46 -43.08 73.99 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.5 112.052 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.0 73.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.154 0.502 . . . . 1.0 110.501 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 45.5 mt -74.8 -27.29 60.25 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.952 -0.567 . . . . 0.98 111.544 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.423 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 32.2 m -61.58 -30.64 70.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.704 0.764 . . . . 1.08 109.035 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -80.78 -43.34 20.27 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.266 -0.879 . . . . 1.66 110.18 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.449 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.0 t60 -66.46 -52.59 44.65 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.114 -0.494 . . . . 0.41 111.477 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.05 -31.97 73.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.199 -0.2 . . . . 1.72 111.28 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -68.39 -44.32 75.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.162 -0.681 . . . . 0.35 109.162 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.8 m -57.32 -51.76 68.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.594 -0.73 . . . . 1.15 110.327 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.509 ' HB3' HD13 ' A' 2112 ' ' LEU . 20.3 mmm180 -50.61 -48.65 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 1.97 112.584 -176.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.7 -37.01 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.076 0.399 . . . . 1.61 112.076 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.11 111.133 -178.277 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.691 ' O ' ' HG3' ' A' 2060 ' ' GLN . 23.9 Cg_exo . . . . . 0 C--O 1.229 0.06 0 N-CA-C 115.079 1.146 . . . . 1.09 115.079 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.03 -37.64 88.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.432 0.16 . . . . 2.45 111.432 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -60.18 -46.18 90.6 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.079 0.466 . . . . 2.21 109.901 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.488 ' O ' ' HB ' ' A' 2062 ' ' THR . 54.1 mt-30 -59.25 -41.1 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.319 -0.855 . . . . 1.5 110.535 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.691 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.79 -61.6 2.49 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.037 -0.529 . . . . 1.24 110.884 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 77.5 mt-30 -53.0 -35.71 59.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.335 0.397 . . . . 1.89 111.76 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' 2059 ' ' GLN . 82.4 m -52.3 -54.01 36.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.7 -0.682 . . . . 1.24 111.197 172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.05 -24.57 47.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.622 0.725 . . . . 1.88 109.426 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.252 -1.34 . . . . 1.08 108.707 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 84.9 m -77.0 -37.34 55.27 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.975 -1.466 . . . . 1.08 110.82 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -57.74 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.579 0.704 . . . . 2.03 109.504 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.505 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 68.6 t -56.11 -43.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.662 -1.154 . . . . 1.09 110.984 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.413 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -66.07 -46.33 78.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.051 -0.977 . . . . 1.03 110.997 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.454 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.76 -33.49 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 1.09 110.654 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.22 88.68 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.098 -0.955 . . . . 1.04 110.649 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.731 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -86.9 -22.74 25.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.825 -0.75 . . . . 1.07 110.441 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.8 -43.21 65.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.267 -0.642 . . . . 1.07 109.267 167.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.9 m -77.91 -46.95 19.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.359 -0.837 . . . . 1.17 111.162 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.39 -43.19 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 112.824 0.676 . . . . 1.15 112.824 -177.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.3 mt -75.58 -32.96 60.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.352 -0.61 . . . . 1.18 109.352 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 100.91 15.41 28.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.93 112.775 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.558 ' HE2' ' CD1' ' A' 2083 ' ' ILE . 8.5 p80 -95.17 -17.67 21.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.405 . . . . 1.23 110.919 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 69.57 159.36 0.18 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.127 -0.942 . . . . 1.56 112.67 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.4 t 46.59 141.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 126.614 1.966 . . . . 2.1 115.272 -172.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.3 Cg_endo -85.33 1.72 8.17 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 124.75 3.633 . . . . 0.56 111.834 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2081 ' ' GLU . . . . . 0.416 ' HG2' ' CG2' ' A' 2079 ' ' THR . 9.8 pt-20 -67.34 -18.22 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.605 -0.725 . . . . 1.54 111.078 -176.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.3 t -114.2 20.11 15.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.117 0.484 . . . . 1.02 110.53 -174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.558 ' CD1' ' HE2' ' A' 2077 ' ' HIS . 18.7 mm -95.27 123.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.3 -0.409 . . . . 1.03 110.668 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 16.4 m -91.42 109.01 33.16 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 0.86 110.23 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.2 Cg_endo -65.62 -27.91 52.95 Favored 'Trans proline' 0 CA--C 1.513 -0.557 0 C-N-CA 122.507 2.138 . . . . 0.18 112.529 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.21 56.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.817 -0.629 . . . . 0.98 111.296 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.434 ' O ' HG22 ' A' 2124 ' ' THR . 57.2 m -76.82 146.48 37.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.58 0.705 . . . . 1.03 109.621 176.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -82.74 143.33 30.95 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.765 -1.107 . . . . 1.06 109.94 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.505 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 38.5 m-85 -47.71 -39.95 18.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.613 -0.721 . . . . 0.16 112.182 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -48.55 -61.58 1.95 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.784 -0.644 . . . . 2.13 110.82 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.18 -18.71 63.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.899 -1.046 . . . . 2.27 111.975 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' 2089 ' ' PHE . 95.8 mt -83.5 -16.66 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.257 -0.428 . . . . 1.06 112.011 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.53 8.04 11.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.292 -0.956 . . . . 0.22 113.139 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.477 HG13 ' HB3' ' A' 2089 ' ' PHE . 4.6 mm -72.28 127.0 33.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.276 0.473 . . . . 1.1 112.276 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -99.95 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 1.86 109.398 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.1 m -68.23 -30.71 69.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.166 0.439 . . . . 1.67 111.065 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.574 ' O ' ' HG3' ' A' 2101 ' ' GLU . 58.2 mt -71.22 -54.66 10.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.315 0.579 . . . . 2.14 109.677 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.477 HG22 HG12 ' A' 2074 ' ' VAL . 0.7 OUTLIER -67.83 -25.84 65.76 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.441 -0.799 . . . . 1.07 112.777 -179.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.536 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.44 -25.69 64.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.896 0.855 . . . . 1.06 109.719 170.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -36.07 14.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.865 -1.061 . . . . 1.73 109.011 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.4 mt-10 -67.77 -34.53 76.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.744 -0.662 . . . . 0.46 111.505 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.422 ' O ' HD11 ' A' 2106 ' ' LEU . 9.9 mt -56.51 -60.57 3.34 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.422 0.63 . . . . 1.76 109.976 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.8 OUTLIER -49.11 -40.36 31.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.197 -1.365 . . . . 2.66 111.064 175.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 2101 ' ' GLU . 85.0 m-20 -53.66 -54.7 34.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.361 -0.381 . . . . 0.44 110.695 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -39.26 82.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 1.07 111.103 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' 2102 ' ' LEU . 5.0 mp -60.55 -56.6 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 2.08 112.172 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.3 t -68.52 -28.19 66.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.15 110.309 -175.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.99 -46.6 64.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 1.66 110.247 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.57 -51.34 63.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.083 -0.962 . . . . 0.45 112.005 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.473 ' OG1' ' HG ' ' A' 2112 ' ' LEU . 31.9 p -71.49 -31.32 66.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 1.1 109.891 -171.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.92 7.54 61.17 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 114.791 -1.095 . . . . 0.36 111.727 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.473 ' HG ' ' OG1' ' A' 2110 ' ' THR . 0.1 OUTLIER -99.8 -158.27 0.66 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.118 -0.541 . . . . 1.23 110.024 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -136.43 124.82 23.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.048 -0.978 . . . . 0.43 110.017 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 68.5 mt -133.73 153.57 80.15 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.168 -0.924 . . . . 1.84 111.617 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.569 ' O ' ' HG ' ' A' 2118 ' ' LEU . 43.6 Cg_endo -84.91 153.19 11.3 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 123.548 2.832 . . . . 0.39 112.0 176.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.2 -2.47 12.11 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.223 1.948 . . . . 0.52 111.451 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.5 p -91.96 0.2 57.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.08 -0.509 . . . . 1.12 111.523 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.5 mt -38.82 -65.46 0.36 Allowed 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 112.657 0.614 . . . . 1.5 112.657 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.536 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.8 mm -55.54 -26.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.57 -1.195 . . . . 1.07 111.728 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -85.35 -29.48 24.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.45 111.532 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.56 -30.1 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 1.34 110.828 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -138.95 76.97 32.82 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.558 -0.746 . . . . 0.52 109.175 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.725 ' O ' HG21 ' A' 2124 ' ' THR . 18.0 Cg_endo -92.51 103.13 0.19 Allowed 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.007 1.805 . . . . 0.31 112.333 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.725 HG21 ' O ' ' A' 2123 ' ' PRO . 2.8 p 168.33 154.59 0.14 Allowed Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 127.598 2.359 . . . . 1.03 105.214 161.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.3 Cg_exo -55.81 -37.32 95.86 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 CA-C-N 121.135 1.441 . . . . 0.14 110.267 172.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.546 ' O ' ' HG3' ' A' 2130 ' ' GLN . 46.4 t60 -65.18 -48.14 74.48 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.435 -0.802 . . . . 0.5 111.57 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.65 70.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.933 0.396 . . . . 1.0 111.324 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' 2132 ' ' LEU . 46.0 mt -74.53 -32.13 62.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.365 -0.38 . . . . 0.98 111.506 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.3 m -59.28 -29.07 67.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 1.08 109.208 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -79.32 -48.05 14.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.007 -0.997 . . . . 1.66 109.649 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.577 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.6 t60 -60.81 -51.56 68.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.834 -0.621 . . . . 0.41 111.31 -176.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 2128 ' ' LEU . 27.0 mt -63.4 -32.08 73.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.04 -0.527 . . . . 1.72 111.178 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -69.54 -39.47 77.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.114 -0.698 . . . . 0.35 109.114 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 98.6 m -61.97 -42.84 99.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.666 -0.697 . . . . 1.15 110.503 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' 2131 ' ' HIS . 20.2 mmm180 -59.39 -50.76 72.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.799 0.333 . . . . 1.97 111.611 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.62 -25.18 67.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.675 0.62 . . . . 1.61 112.675 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.029 0.442 . . . . 1.11 111.551 -175.256 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.626 ' O ' ' HG3' ' A' 2060 ' ' GLN . 63.6 Cg_exo . . . . . 0 N--CA 1.464 -0.254 0 N-CA-C 113.553 0.559 . . . . 1.09 113.553 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.74 -35.68 78.81 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 123.169 0.293 . . . . 2.45 111.284 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.22 -42.3 93.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.944 0.402 . . . . 2.21 110.021 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.745 ' O ' ' HB ' ' A' 2062 ' ' THR . 38.4 mt-30 -63.83 -39.01 93.21 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.175 -0.466 . . . . 1.5 109.765 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.5 mt-30 -56.68 -53.12 61.37 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.95 -0.389 . . . . 1.24 109.95 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.515 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 78.2 mt-30 -51.86 -31.75 29.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 1.89 111.463 176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.745 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.7 m -56.18 -57.27 12.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.553 -0.749 . . . . 1.24 111.143 173.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' 2059 ' ' GLN . 1.4 mm? -65.51 -36.88 85.16 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.123 0.963 . . . . 1.88 109.162 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -59.06 -32.49 69.81 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 113.512 -1.676 . . . . 1.08 110.291 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 41.1 m -89.58 -43.72 10.58 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.256 -1.338 . . . . 1.08 110.532 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.523 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.4 tp -56.4 -60.04 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 2.03 110.836 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.462 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 62.6 t -54.47 -42.32 58.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.224 -1.353 . . . . 1.09 111.271 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.18 64.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.806 -0.634 . . . . 1.03 111.228 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.42 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -64.04 -27.85 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.307 0.575 . . . . 1.09 110.33 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.56 -47.18 79.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.384 -0.825 . . . . 1.04 110.125 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.782 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.2 t -86.24 -24.83 25.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.856 -0.738 . . . . 1.07 110.442 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.02 -51.56 30.21 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.459 -0.941 . . . . 1.07 108.459 165.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -62.73 -51.29 67.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.149 -0.932 . . . . 1.17 111.197 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -60.73 -42.0 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 113.566 0.95 . . . . 1.15 113.566 -175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.782 ' HG ' ' O ' ' A' 2071 ' ' THR . 17.4 mt -76.83 -28.47 55.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.939 -0.476 . . . . 1.18 110.715 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.21 13.17 13.82 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.644 -0.789 . . . . 0.93 112.56 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.403 ' NE2' HD13 ' A' 2075 ' ' LEU . 15.6 p80 -122.37 96.04 4.88 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.993 -0.743 . . . . 1.23 108.993 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -49.43 -35.59 19.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.158 1.54 . . . . 1.56 115.158 -162.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.5 t -88.45 145.21 35.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 118.655 -1.218 . . . . 2.1 112.371 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -85.37 -2.36 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 125.116 3.877 . . . . 0.56 112.014 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.19 -18.62 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 1.54 110.71 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 45.4 t -106.58 19.74 20.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.87 -0.605 . . . . 1.02 110.096 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.459 HD13 HG22 ' A' 2071 ' ' THR . 19.6 mm -98.4 112.58 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.137 -0.483 . . . . 1.03 110.408 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 38.4 m -82.94 113.1 43.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.278 -0.419 . . . . 0.86 110.157 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.465 ' O ' ' HB ' ' A' 2124 ' ' THR . 22.8 Cg_endo -65.67 -28.5 52.29 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 122.454 2.102 . . . . 0.18 112.558 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.87 -30.46 45.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.98 111.491 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.497 ' O ' HG21 ' A' 2124 ' ' THR . 41.3 m -74.87 145.61 42.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.147 -0.686 . . . . 1.03 109.147 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.01 145.62 29.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.192 -0.913 . . . . 1.06 110.05 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.509 ' HB3' HG13 ' A' 2094 ' ' ILE . 40.6 m-85 -48.98 -38.88 24.49 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.929 0.768 . . . . 0.16 111.936 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -47.59 -61.4 1.95 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.972 -0.558 . . . . 2.13 111.0 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.0 -17.15 64.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.526 -0.761 . . . . 2.27 111.804 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.35 -14.83 48.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 1.06 111.831 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 115.29 12.67 9.6 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.335 -0.936 . . . . 0.22 113.457 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.509 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -75.7 132.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 112.566 0.58 . . . . 1.1 112.566 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -107.97 -178.27 3.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.969 -0.752 . . . . 1.86 108.969 172.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 25.2 m -64.15 -38.02 89.54 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.824 -0.35 . . . . 1.67 111.1 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.4 tp -62.06 -55.46 28.82 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.406 0.682 . . . . 2.14 110.746 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.45 HG22 HG13 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.77 -25.99 63.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.639 -0.709 . . . . 1.07 112.827 -178.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.523 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.61 -23.8 64.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.833 0.825 . . . . 1.06 109.496 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.88 -36.59 14.97 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.786 -1.097 . . . . 1.73 108.853 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.5 mt-10 -67.51 -38.15 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.46 111.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.499 ' O ' HD13 ' A' 2106 ' ' LEU . 10.7 mt -56.86 -65.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.002 0.43 . . . . 1.76 111.034 174.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -51.23 -34.39 32.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.89 -1.05 . . . . 2.66 110.55 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -57.71 -53.13 61.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.429 . . . . 0.44 110.606 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.3 m -64.78 -41.32 95.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.879 -0.6 . . . . 1.07 110.646 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' 2102 ' ' LEU . 6.7 mp -63.05 -53.78 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 2.08 111.387 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.531 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 4.8 t -65.21 -28.6 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.195 0.522 . . . . 1.15 110.295 -176.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.42 -45.68 65.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 1.66 110.303 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.62 -39.35 67.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.969 -1.014 . . . . 0.45 112.723 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 41.5 p -80.2 -22.05 42.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.295 0.569 . . . . 1.1 109.587 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 85.29 1.34 88.25 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.114 -0.948 . . . . 0.36 112.032 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -95.26 -159.22 0.7 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.166 0.507 . . . . 1.23 109.876 -177.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2113 ' ' ASP . . . . . 0.531 ' HA ' ' OG1' ' A' 2107 ' ' THR . 24.6 t70 -140.13 113.72 8.65 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.927 -1.033 . . . . 0.43 110.016 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -116.6 151.26 46.89 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 113.808 -1.542 . . . . 1.84 110.557 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' 2118 ' ' LEU . 92.7 Cg_endo -72.03 157.44 54.45 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.411 2.741 . . . . 0.39 111.723 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.515 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.9 Cg_endo -75.3 -2.8 13.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.06 1.84 . . . . 0.52 111.281 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -97.5 4.69 50.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.5 -0.773 . . . . 1.12 110.856 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' 2115 ' ' PRO . 14.6 tp -43.69 -58.1 2.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.636 0.775 . . . . 1.5 112.723 177.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.523 HG13 ' HA ' ' A' 2099 ' ' ALA . 31.6 mm -55.64 -31.05 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.071 -0.968 . . . . 1.07 111.373 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -84.4 -29.97 25.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.891 -0.595 . . . . 0.45 111.439 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.88 -34.06 33.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.671 . . . . 1.34 111.232 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.58 79.77 28.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.345 -0.983 . . . . 0.52 108.345 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.631 ' O ' HG23 ' A' 2124 ' ' THR . 36.1 Cg_endo -91.58 103.14 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.859 1.706 . . . . 0.31 112.642 -169.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.631 HG23 ' O ' ' A' 2123 ' ' PRO . 1.4 p 167.21 157.57 0.12 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.526 2.33 . . . . 1.03 105.419 160.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.464 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.7 Cg_exo -55.88 -38.7 94.2 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 CA-C-N 121.14 1.443 . . . . 0.14 110.163 172.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' 2130 ' ' GLN . 76.9 t60 -68.31 -45.19 73.64 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.76 -0.654 . . . . 0.5 111.716 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.59 -36.48 66.96 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.194 0.521 . . . . 1.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.97 -30.97 44.77 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.022 -0.536 . . . . 0.98 111.384 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 51.5 m -57.53 -33.15 67.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.075 -0.713 . . . . 1.08 109.075 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' 2126 ' ' HIS . 0.8 OUTLIER -79.41 -49.24 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.226 -0.897 . . . . 1.66 110.228 178.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.73 -54.83 37.25 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 111.781 0.289 . . . . 0.41 111.781 -175.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.26 -35.58 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.279 -0.168 . . . . 1.72 111.216 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -65.56 -40.12 92.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.566 -0.531 . . . . 0.35 109.566 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.7 m -64.45 -48.04 76.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.553 -0.748 . . . . 1.15 110.264 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.423 ' HB3' HD11 ' A' 2112 ' ' LEU . 19.9 mmm180 -52.45 -48.43 65.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 1.97 111.721 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.66 -26.67 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 112.189 0.44 . . . . 1.11 112.189 -170.775 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.64 ' O ' ' HG3' ' A' 2060 ' ' GLN . 7.0 Cg_exo . . . . . 0 N--CA 1.457 -0.651 0 N-CA-C 113.987 0.726 . . . . 1.09 113.987 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2057 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.8 tp-100 -62.87 -36.2 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.048 0.218 . . . . 2.45 110.922 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.64 -45.23 94.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.653 -0.499 . . . . 2.21 109.653 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' A' 2062 ' ' THR . 49.0 mt-30 -61.1 -40.2 92.84 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.957 -0.565 . . . . 1.5 110.232 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' 2056 ' ' PRO . 44.5 mt-30 -61.58 -54.86 37.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 116.2 -0.454 . . . . 1.24 110.202 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.482 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 25.7 mt-30 -54.2 -36.85 63.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 1.89 111.459 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.7 m -57.58 -52.69 64.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.76 -0.655 . . . . 1.24 111.246 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -78.71 -19.29 52.76 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.963 0.887 . . . . 1.88 109.567 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.05 -48.59 65.19 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.137 -1.392 . . . . 1.08 108.336 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 93.7 m -63.97 -35.91 82.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 113.978 -1.465 . . . . 1.08 110.506 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -59.68 4.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.894 -0.78 . . . . 2.03 108.894 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' 2063 ' ' LEU . 54.7 t -54.28 -44.9 67.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.795 -1.093 . . . . 1.09 110.92 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -63.48 -51.54 65.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.083 -0.962 . . . . 1.03 111.708 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.65 -29.75 70.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.008 0.432 . . . . 1.09 110.778 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.83 84.03 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.731 -0.668 . . . . 1.04 110.377 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.78 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.7 -24.98 23.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.078 -0.649 . . . . 1.07 110.347 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -45.9 60.26 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.905 -0.776 . . . . 1.07 108.905 166.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.2 m -71.92 -48.55 44.67 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 1.17 111.186 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.664 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.01 -42.62 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.095 0.776 . . . . 1.15 113.095 -176.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' 2071 ' ' THR . 9.2 mt -77.61 -27.01 51.07 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.301 0.572 . . . . 1.18 109.793 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 97.86 44.19 2.71 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.344 -0.844 . . . . 0.93 112.932 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.59 -1.47 2.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.243 0.521 . . . . 1.23 112.246 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.3 m-70 67.5 -38.48 0.35 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.463 1.653 . . . . 1.56 115.463 168.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.478 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.5 p -79.09 123.06 85.02 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 113.482 0.919 . . . . 2.1 113.482 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.7 Cg_exo -83.75 -19.71 4.92 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.972 3.115 . . . . 0.56 110.91 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.29 -22.31 57.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.467 -0.788 . . . . 1.54 110.372 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.2 t -94.38 20.43 8.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 1.02 110.036 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.469 HD12 HG23 ' A' 2071 ' ' THR . 13.4 mm -99.35 119.58 47.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.322 -0.854 . . . . 1.03 109.795 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 6.5 m -85.64 109.1 19.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.86 110.403 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 23.9 Cg_endo -65.9 -27.62 50.92 Favored 'Trans proline' 0 CA--C 1.515 -0.472 0 C-N-CA 122.519 2.146 . . . . 0.18 112.564 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -79.5 -29.95 41.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.686 -0.688 . . . . 0.98 111.008 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.487 ' O ' HG22 ' A' 2124 ' ' THR . 40.9 m -74.73 146.73 41.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.409 0.624 . . . . 1.03 109.722 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.409 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.59 143.89 29.83 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.007 -0.997 . . . . 1.06 109.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.502 ' HB3' HG13 ' A' 2094 ' ' ILE . 39.8 m-85 -49.59 -37.4 27.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.275 -0.875 . . . . 0.16 111.91 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.431 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.54 -64.7 0.7 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.141 -0.481 . . . . 2.13 110.883 172.011 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.45 ' HB2' ' CG2' ' A' 2087 ' ' THR . 8.0 m-20 -56.74 -30.47 63.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 2.27 111.422 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' 2089 ' ' PHE . 80.8 mt -75.06 -16.07 60.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.782 -0.644 . . . . 1.06 111.973 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 116.69 8.03 12.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.342 -0.932 . . . . 0.22 113.441 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.512 HG22 HG22 ' A' 2119 ' ' ILE . 2.4 mm -69.8 132.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.816 0.673 . . . . 1.1 112.816 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -108.7 178.76 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.14 -0.936 . . . . 1.86 109.016 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 10.4 p -60.68 -43.09 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.137 0.494 . . . . 1.67 110.627 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.647 ' O ' ' HB3' ' A' 2100 ' ' LEU . 12.8 tp -58.23 -52.63 64.78 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.279 -0.873 . . . . 2.14 111.366 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.439 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -73.33 -26.06 60.88 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 112.958 0.725 . . . . 1.07 112.958 -179.593 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.545 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.86 -21.56 63.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 1.06 109.325 171.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.647 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.1 OUTLIER -85.53 -48.48 8.9 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.347 -1.297 . . . . 1.73 108.469 177.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.571 ' N ' HD13 ' A' 2100 ' ' LEU . 22.9 mt-10 -56.98 -39.35 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.46 111.974 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' 2106 ' ' LEU . 6.9 mt -56.81 -64.09 0.99 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.144 0.497 . . . . 1.76 110.707 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.0 OUTLIER -48.55 -38.46 20.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.693 -1.14 . . . . 2.66 111.242 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -59.52 -38.94 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.309 . . . . 0.44 111.418 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.54 -39.16 28.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.155 0.503 . . . . 1.07 110.548 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' 2102 ' ' LEU . 6.2 mp -63.35 -56.05 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.539 -0.755 . . . . 2.08 111.423 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -64.36 -27.81 69.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.055 0.455 . . . . 1.15 110.115 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.5 t60 -67.98 -49.9 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.773 -0.649 . . . . 1.66 110.312 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.14 -42.57 84.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.011 -0.995 . . . . 0.45 112.502 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 41.5 p -78.66 -23.62 45.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.505 0.669 . . . . 1.1 109.777 -175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.58 7.65 85.88 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.999 -1.0 . . . . 0.36 112.099 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.31 -159.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.508 . . . . 1.23 109.761 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.96 121.51 14.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.16 -0.927 . . . . 0.43 109.36 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.67 161.01 66.31 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 114.966 -1.015 . . . . 1.84 111.359 -167.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' 2118 ' ' LEU . 62.7 Cg_endo -83.76 151.9 13.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.165 2.576 . . . . 0.39 111.899 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.98 -4.42 15.1 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.225 1.95 . . . . 0.52 111.5 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.9 p -93.21 1.97 56.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.855 -0.611 . . . . 1.12 111.728 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' 2115 ' ' PRO . 48.1 mt -41.22 -57.83 1.98 Allowed 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.959 0.885 . . . . 1.5 111.442 171.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.545 HG13 ' HA ' ' A' 2099 ' ' ALA . 9.5 mm -54.75 -27.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 113.163 -1.835 . . . . 1.07 111.495 -176.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -91.36 -33.56 15.23 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.002 -0.545 . . . . 0.45 111.664 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.89 -37.29 40.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.693 0.759 . . . . 1.34 110.743 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -132.71 77.93 67.92 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.992 -1.114 . . . . 0.52 107.992 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG21 ' A' 2124 ' ' THR . 38.9 Cg_endo -91.14 103.23 0.26 Allowed 'Trans proline' 0 N--CA 1.436 -1.858 0 C-N-CA 121.575 1.517 . . . . 0.31 112.607 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.724 HG21 ' O ' ' A' 2123 ' ' PRO . 5.2 p 167.78 158.31 0.14 Allowed Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 128.181 2.592 . . . . 1.03 104.789 159.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 36.3 Cg_exo -55.45 -37.6 94.71 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 CA-C-N 121.31 1.504 . . . . 0.14 110.367 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 76.6 t60 -71.09 -40.31 71.62 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.858 -0.61 . . . . 0.5 111.957 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.37 77.79 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.249 0.547 . . . . 1.0 110.496 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.81 -29.04 58.56 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.078 -0.51 . . . . 0.98 111.291 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.1 m -60.4 -28.84 68.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.815 -0.809 . . . . 1.08 108.815 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -80.49 -48.55 12.64 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.102 -0.954 . . . . 1.66 110.296 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.99 -52.09 66.5 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.537 -0.301 . . . . 0.41 111.417 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.28 -33.48 74.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.128 -0.229 . . . . 1.72 111.442 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -70.44 -37.08 74.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.48 -0.563 . . . . 0.35 109.48 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 35.0 m -65.97 -44.84 83.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.819 -0.628 . . . . 1.15 110.802 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.444 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -57.22 -47.53 81.09 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.972 0.36 . . . . 1.97 111.972 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.53 -45.96 64.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.502 0.556 . . . . 1.61 112.502 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.1 p . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 121.088 0.47 . . . . 1.11 111.464 -173.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.701 ' O ' ' HG3' ' A' 2060 ' ' GLN . 44.8 Cg_exo . . . . . 0 C--O 1.23 0.079 0 N-CA-C 113.913 0.697 . . . . 1.09 113.913 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2057 ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 25.8 tp60 -63.52 -38.35 90.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.819 -0.173 . . . . 2.45 111.417 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -61.48 -43.55 98.66 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.635 -0.505 . . . . 2.21 109.635 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' 2062 ' ' THR . 52.9 mt-30 -63.77 -41.08 98.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.555 -0.748 . . . . 1.5 110.244 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.701 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -60.26 -59.24 5.72 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.342 -0.39 . . . . 1.24 110.379 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.475 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 93.0 mt-30 -52.96 -35.87 59.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.341 0.4 . . . . 1.89 111.508 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' 2059 ' ' GLN . 90.1 m -56.34 -54.41 45.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.825 -0.625 . . . . 1.24 111.305 172.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -79.07 -19.34 51.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.911 0.862 . . . . 1.88 109.704 -175.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.13 -51.18 49.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.118 -1.401 . . . . 1.08 108.463 175.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.7 m -61.88 -33.88 75.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.828 -1.533 . . . . 1.08 110.522 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' 2109 ' ' ASN . 0.0 OUTLIER -59.98 -59.25 5.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.909 -0.774 . . . . 2.03 108.909 175.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' 2063 ' ' LEU . 55.7 t -54.29 -43.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 1.09 110.783 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.521 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.93 70.21 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.81 -1.086 . . . . 1.03 111.4 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.507 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -59.97 -32.92 71.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.971 0.415 . . . . 1.09 110.76 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.466 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -61.54 -46.81 88.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.409 -0.814 . . . . 1.04 110.467 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.738 ' O ' ' HG ' ' A' 2075 ' ' LEU . 11.8 t -88.55 -24.17 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 119.843 -0.743 . . . . 1.07 110.916 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.546 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -53.91 -45.15 71.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.644 -0.873 . . . . 1.07 108.644 167.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 76.1 m -71.85 -48.41 46.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.419 -0.809 . . . . 1.17 111.074 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.641 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.7 OUTLIER -59.94 -42.27 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.26 0.837 . . . . 1.15 113.26 -175.064 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.9 mt -82.43 -12.36 57.91 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.087 0.47 . . . . 1.18 110.069 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.72 18.08 76.1 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.93 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.2 p80 -100.55 -14.39 18.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 1.23 110.911 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 63.04 -176.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.28 -0.873 . . . . 1.56 111.68 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 23.0 p 53.21 115.47 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 114.514 1.301 . . . . 2.1 114.514 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.507 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.3 Cg_exo -80.86 -12.51 12.07 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 124.455 3.437 . . . . 0.56 111.193 174.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.06 -21.68 33.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.163 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.6 t -90.8 21.99 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 1.02 109.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' 2068 ' ' ALA . 11.6 mm -103.26 118.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 1.03 110.091 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 23.6 m -85.49 111.94 40.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.625 -0.261 . . . . 0.86 110.428 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 31.7 Cg_endo -68.04 -26.12 37.39 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.573 2.182 . . . . 0.18 112.563 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.34 -30.84 48.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.723 -0.671 . . . . 0.98 111.416 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 26.0 m -73.31 146.86 44.99 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.373 -0.602 . . . . 1.03 109.373 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.37 142.43 31.03 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 115.215 -0.902 . . . . 1.06 109.793 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.9 m-85 -46.88 -41.75 16.32 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 123.526 0.516 . . . . 0.16 112.17 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -49.51 -60.66 2.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.318 -0.401 . . . . 2.13 111.374 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.403 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.1 t70 -57.77 -31.87 66.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 2.27 110.963 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' 2089 ' ' PHE . 86.6 mt -70.59 -19.63 62.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 1.06 112.301 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.55 3.56 10.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.239 -0.981 . . . . 0.22 113.143 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.508 HG23 HG22 ' A' 2119 ' ' ILE . 7.8 mm -70.25 129.87 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.053 0.454 . . . . 1.1 112.054 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -110.26 -178.23 3.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.932 -0.766 . . . . 1.86 108.932 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 53.3 p -61.89 -35.22 77.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.185 0.517 . . . . 1.67 111.156 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' 2100 ' ' LEU . 61.3 mt -67.23 -50.97 58.66 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.509 -0.769 . . . . 2.14 110.391 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.498 HG23 HG11 ' A' 2074 ' ' VAL . 0.7 OUTLIER -74.0 -26.42 60.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 113.041 0.756 . . . . 1.07 113.041 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.519 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.52 -20.82 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.077 0.942 . . . . 1.06 109.376 170.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.732 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -84.48 -50.26 7.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.186 -1.37 . . . . 1.73 108.55 177.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.503 ' N ' HD11 ' A' 2100 ' ' LEU . 18.0 mt-10 -56.11 -42.53 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.46 111.997 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.4 mt -56.83 -61.39 2.47 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.266 0.555 . . . . 1.76 110.722 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.1 tmt_? -47.94 -42.91 28.59 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.395 -1.275 . . . . 2.66 111.216 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -58.46 -47.5 83.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.44 111.196 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 19.4 m -70.39 -42.06 72.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 1.07 111.277 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 2102 ' ' LEU . 61.6 mt -68.97 -46.73 67.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.329 . . . . 2.08 111.36 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.3 t -66.88 -27.68 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.345 0.593 . . . . 1.15 109.873 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.9 t60 -68.96 -48.14 63.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.523 -0.762 . . . . 1.66 110.405 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.456 ' CB ' HD12 ' A' 2066 ' ' LEU . 7.8 m-80 -68.97 -39.35 79.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.004 . . . . 0.45 112.798 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 40.8 p -81.12 -22.58 38.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.681 . . . . 1.1 109.971 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.48 10.73 84.11 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.077 -0.965 . . . . 0.36 112.237 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.15 -159.06 0.71 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.134 0.493 . . . . 1.23 109.882 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -138.29 116.84 12.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.147 -0.933 . . . . 0.43 109.904 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.91 151.89 76.43 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 114.297 -1.319 . . . . 1.84 111.609 -170.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 77.4 Cg_endo -79.06 152.49 24.47 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 123.591 2.861 . . . . 0.39 112.317 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.7 1.38 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.47 2.113 . . . . 0.52 111.695 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -100.7 3.14 42.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.549 . . . . 1.12 111.765 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 33.7 mt -39.66 -63.91 0.53 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 1.5 112.174 172.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.519 HG13 ' HA ' ' A' 2099 ' ' ALA . 10.9 mm -56.9 -25.68 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 113.847 -1.524 . . . . 1.07 111.564 -174.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -84.45 -31.94 24.32 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.808 0.337 . . . . 0.45 111.683 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -89.33 -39.1 13.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.198 0.523 . . . . 1.34 111.024 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -123.83 71.26 50.61 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.586 -0.894 . . . . 0.52 108.586 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.685 ' O ' HG21 ' A' 2124 ' ' THR . 10.7 Cg_endo -91.58 104.09 0.24 Allowed 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.134 1.89 . . . . 0.31 112.619 -172.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.685 HG21 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.63 155.89 0.13 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.706 2.403 . . . . 1.03 104.896 160.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.498 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.6 Cg_exo -54.97 -39.52 90.35 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 CA-C-N 121.475 1.562 . . . . 0.14 109.908 171.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' 2130 ' ' GLN . 38.4 t60 -62.92 -48.49 78.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.561 -0.745 . . . . 0.5 111.726 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.73 73.98 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.86 0.362 . . . . 1.0 111.193 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.32 -30.23 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.475 -0.329 . . . . 0.98 111.477 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.428 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 57.8 m -59.78 -28.8 67.72 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.743 0.782 . . . . 1.08 109.162 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.6 mt-30 -80.63 -47.0 14.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.955 . . . . 1.66 110.106 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.24 -52.79 63.3 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.382 -0.372 . . . . 0.41 111.673 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.85 -32.12 73.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.575 0.226 . . . . 1.72 111.143 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -70.45 -38.13 74.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.556 -0.535 . . . . 0.35 109.556 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 27.7 m -65.4 -50.31 65.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.881 -0.599 . . . . 1.15 110.457 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -47.54 -53.17 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.647 0.61 . . . . 1.97 112.647 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 67.1 mt -66.5 -39.91 88.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.009 -0.541 . . . . 1.61 112.304 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 1.11 112.215 -171.279 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.731 ' O ' ' HG3' ' A' 2060 ' ' GLN . 38.5 Cg_exo . . . . . 0 N--CA 1.466 -0.138 0 N-CA-C 114.056 0.752 . . . . 1.09 114.056 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.74 -39.18 87.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.894 0.331 . . . . 2.45 111.894 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.73 -41.3 86.1 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.277 0.56 . . . . 2.21 109.913 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' 2062 ' ' THR . 23.1 mt-30 -67.99 -44.67 76.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.595 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.731 ' HG3' ' O ' ' A' 2056 ' ' PRO . 19.6 mt-30 -59.31 -60.41 3.9 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.114 -0.494 . . . . 1.24 111.132 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.493 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 98.3 mt-30 -50.26 -37.19 34.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.025 0.44 . . . . 1.89 111.688 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' 2059 ' ' GLN . 87.0 m -55.96 -54.6 42.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.499 -0.773 . . . . 1.24 111.483 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.17 -19.9 46.05 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.905 0.859 . . . . 1.88 109.625 -176.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -66.82 -48.35 69.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.98 -1.464 . . . . 1.08 108.488 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 40.2 m -65.85 -34.75 78.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.311 -1.313 . . . . 1.08 110.942 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -57.94 10.47 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.063 -0.717 . . . . 2.03 109.063 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2067 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.25 -43.77 77.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.038 -0.983 . . . . 1.09 111.149 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.451 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.58 -47.6 75.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.175 -0.92 . . . . 1.03 111.446 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.445 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.62 -29.84 70.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.042 0.448 . . . . 1.09 110.745 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.27 80.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.54 -0.755 . . . . 1.04 110.241 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.798 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.9 t -85.53 -26.36 26.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 119.899 -0.721 . . . . 1.07 110.541 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.514 ' HB3' ' C ' ' A' 2078 ' ' HIS . . . -50.63 -46.84 58.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.167 -0.679 . . . . 1.07 109.167 166.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 91.4 m -70.79 -47.85 57.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.544 -0.753 . . . . 1.17 110.988 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.682 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.08 -42.23 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.086 0.773 . . . . 1.15 113.086 -176.34 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.3 mt -80.3 -21.09 42.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.21 0.528 . . . . 1.18 109.998 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 90.95 36.55 6.68 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.478 -0.783 . . . . 0.93 113.332 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.2 p80 -123.37 -9.53 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 1.23 111.061 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.514 ' C ' ' HB3' ' A' 2072 ' ' ALA . 90.0 m-70 71.65 -31.88 0.23 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.804 1.409 . . . . 1.56 114.804 166.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.2 p -81.15 124.32 81.05 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.27 0.841 . . . . 2.1 113.27 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 2079 ' ' THR . 4.4 Cg_exo -85.86 -10.76 7.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.963 3.109 . . . . 0.56 110.544 173.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.65 -18.81 43.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.109 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.8 t -97.61 21.79 9.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.234 0.54 . . . . 1.02 110.413 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.451 HG13 ' HB1' ' A' 2068 ' ' ALA . 13.9 mm -104.2 114.51 43.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.819 -0.628 . . . . 1.03 110.723 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.5 m -83.12 113.5 46.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.86 110.341 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.463 ' O ' ' HB ' ' A' 2124 ' ' THR . 26.5 Cg_endo -68.04 -26.39 37.11 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.4 2.066 . . . . 0.18 112.305 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.78 55.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.596 -0.729 . . . . 0.98 111.4 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.48 ' O ' HG21 ' A' 2124 ' ' THR . 26.7 m -76.31 145.6 39.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.357 0.598 . . . . 1.03 109.44 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' 2124 ' ' THR . . . -81.76 141.46 33.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.201 -0.909 . . . . 1.06 109.595 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.491 ' HB3' HG13 ' A' 2094 ' ' ILE . 43.8 m-85 -45.19 -42.76 9.51 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.691 0.619 . . . . 0.16 111.498 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.03 -64.16 0.68 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.316 -0.857 . . . . 2.13 111.746 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.5 t70 -60.94 -30.99 70.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 2.27 111.105 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' 2089 ' ' PHE . 86.2 mt -70.9 -12.86 61.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 1.06 112.41 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 110.88 14.56 12.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.245 -0.979 . . . . 0.22 112.683 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.502 HG22 HG22 ' A' 2119 ' ' ILE . 5.0 mm -79.83 118.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.202 0.525 . . . . 1.1 112.0 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.93 178.26 6.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.468 -0.787 . . . . 1.86 108.948 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.6 m -68.44 -30.52 69.41 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 118.231 0.469 . . . . 1.67 110.817 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' 2100 ' ' LEU . 69.7 mt -71.87 -48.89 42.68 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.245 0.545 . . . . 2.14 110.192 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.489 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -73.01 -27.35 61.73 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 112.963 0.727 . . . . 1.07 112.963 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.78 -25.08 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.504 -0.925 . . . . 1.06 108.504 168.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.768 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 4.0 tp -86.92 -41.32 14.05 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 114.343 -1.299 . . . . 1.73 109.667 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.489 ' HG3' ' HA ' ' A' 2098 ' ' THR . 20.2 mt-10 -60.76 -35.58 76.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.874 -0.603 . . . . 0.46 110.582 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.54 -70.7 0.13 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.345 0.498 . . . . 1.76 112.345 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.768 ' CZ ' ' HA ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -57.09 -26.21 60.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.903 -0.319 . . . . 2.66 111.027 -176.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -60.15 -56.74 17.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.08 0.466 . . . . 0.44 110.186 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 30.6 m -62.87 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.576 -0.738 . . . . 1.07 110.938 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.8 mp -61.51 -58.19 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.726 -0.67 . . . . 2.08 111.731 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 3.2 t -63.98 -28.05 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 1.15 110.294 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -66.43 -52.35 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.385 0.612 . . . . 1.66 110.442 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -66.96 -39.26 87.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.45 112.664 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.543 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 54.6 p -77.96 -23.87 48.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.648 0.737 . . . . 1.1 110.061 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.01 5.13 86.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.001 -1.0 . . . . 0.36 111.181 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.543 ' CD1' ' HB ' ' A' 2110 ' ' THR . 11.2 mt -85.16 -168.5 2.24 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.647 -0.776 . . . . 1.23 110.337 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -136.92 122.3 19.43 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.605 -1.18 . . . . 0.43 108.811 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.426 HD11 HD13 ' A' 2132 ' ' LEU . 64.7 mt -130.14 159.53 69.87 Favored Pre-proline 0 C--N 1.305 -1.357 0 CA-C-N 114.916 -1.038 . . . . 1.84 111.3 -168.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.87 151.51 27.86 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.648 2.232 . . . . 0.39 111.06 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.629 ' HB2' ' NH2' ' A' 2103 ' ' ARG . 87.9 Cg_endo -81.14 13.86 2.26 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.657 1.572 . . . . 0.52 110.866 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.4 p -106.92 2.23 25.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.281 -0.872 . . . . 1.12 111.619 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 15.3 mt -38.79 -67.09 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.344 0.868 . . . . 1.5 113.344 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' 2123 ' ' PRO . 12.5 mm -58.61 -21.35 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.202 -0.908 . . . . 1.07 111.605 -174.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.92 -38.83 16.33 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.301 -0.408 . . . . 0.45 111.642 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.5 -37.59 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.364 0.602 . . . . 1.34 111.175 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -127.52 74.37 77.88 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.52 108.692 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.763 ' O ' HG23 ' A' 2124 ' ' THR . 18.5 Cg_endo -91.91 101.97 0.21 Allowed 'Trans proline' 0 N--CA 1.434 -2.027 0 C-N-CA 121.922 1.748 . . . . 0.31 111.774 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.763 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 169.05 154.34 0.16 Allowed Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 127.808 2.443 . . . . 1.03 104.749 163.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.444 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.0 Cg_exo -55.72 -38.06 94.78 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 CA-C-N 121.087 1.424 . . . . 0.14 110.033 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.483 ' O ' ' HG3' ' A' 2130 ' ' GLN . 57.4 t60 -64.66 -47.11 79.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.5 111.966 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.01 -40.85 70.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.023 0.439 . . . . 1.0 111.228 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 46.7 mt -76.16 -30.33 58.07 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.317 -0.401 . . . . 0.98 111.452 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.4 m -59.92 -26.2 65.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.663 0.744 . . . . 1.08 109.206 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.0 mt-30 -80.24 -47.05 15.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.838 . . . . 1.66 110.068 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.98 -51.92 54.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.348 -0.387 . . . . 0.41 111.831 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.426 HD13 HD11 ' A' 2114 ' ' LEU . 2.3 mm? -62.57 -32.59 73.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.173 -0.211 . . . . 1.72 111.084 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -66.66 -39.62 88.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.249 -0.649 . . . . 0.35 109.249 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 41.4 m -67.27 -40.57 86.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.632 -0.713 . . . . 1.15 110.765 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.426 ' CB ' HD11 ' A' 2112 ' ' LEU . 7.2 mmm180 -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.61 0.243 . . . . 1.97 111.304 -175.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.76 -11.76 59.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.823 0.344 . . . . 1.61 111.831 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.8 p . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.517 . . . . 1.11 110.674 177.827 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.667 ' O ' ' HG3' ' A' 2060 ' ' GLN . 66.1 Cg_exo . . . . . 0 CA--C 1.531 0.369 0 N-CA-C 114.066 0.756 . . . . 1.09 114.066 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.85 -40.68 95.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 2.45 111.134 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.38 -42.39 96.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.29 -0.633 . . . . 2.21 109.29 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.575 ' O ' ' HB ' ' A' 2062 ' ' THR . 90.0 mt-30 -54.61 -43.12 71.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.803 -1.09 . . . . 1.5 110.656 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' A' 2056 ' ' PRO . 18.3 mt-30 -59.25 -60.81 3.26 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 115.779 -0.646 . . . . 1.24 110.245 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.493 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 41.8 mt-30 -52.61 -36.44 56.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 1.89 111.704 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.575 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.8 m -53.02 -57.11 11.48 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.432 -0.804 . . . . 1.24 111.581 171.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.7 pp -80.63 -18.39 48.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.917 0.865 . . . . 1.88 109.458 -174.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -65.66 -45.76 81.73 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.917 -1.492 . . . . 1.08 108.511 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -65.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.206 -1.361 . . . . 1.08 110.409 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -55.61 27.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.985 -0.746 . . . . 2.03 108.985 173.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' 2063 ' ' LEU . 75.1 t -52.45 -49.25 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.39 -0.823 . . . . 1.09 110.63 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.484 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -60.54 -49.8 76.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.537 -1.21 . . . . 1.03 111.827 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.83 -32.14 72.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.091 0.472 . . . . 1.09 110.895 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.76 85.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.614 -0.721 . . . . 1.04 110.346 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.8 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.17 -26.24 25.25 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.178 -0.609 . . . . 1.07 110.422 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.516 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.38 -44.26 54.81 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.187 -0.672 . . . . 1.07 109.187 167.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 81.8 m -71.55 -49.21 42.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.428 -0.805 . . . . 1.17 110.892 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.38 -42.35 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 113.189 0.811 . . . . 1.15 113.189 -176.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.0 mt -79.22 -24.54 43.04 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.377 0.608 . . . . 1.18 109.935 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.47 55.42 1.45 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.35 -0.841 . . . . 0.93 112.864 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.47 -5.0 0.44 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.328 0.492 . . . . 1.23 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.516 ' C ' ' HB1' ' A' 2072 ' ' ALA . 76.4 m-70 68.48 -34.0 0.25 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.311 1.597 . . . . 1.56 115.311 169.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.8 p -80.16 123.67 83.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.502 0.927 . . . . 2.1 113.502 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 2079 ' ' THR . 5.4 Cg_exo -83.62 -15.76 7.12 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.807 3.005 . . . . 0.56 111.156 174.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.56 -19.71 45.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.735 -0.666 . . . . 1.54 110.663 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.4 t -93.87 22.07 6.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 1.02 109.935 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.484 HG13 ' HB3' ' A' 2068 ' ' ALA . 11.4 mm -105.14 111.71 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.561 -0.745 . . . . 1.03 110.422 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 112.23 34.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.546 -0.297 . . . . 0.86 110.558 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.503 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 22.4 Cg_endo -67.21 -28.9 39.9 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 C-N-CA 122.55 2.167 . . . . 0.18 112.62 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.32 55.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.64 -0.709 . . . . 0.98 111.076 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 47.7 m -82.2 148.68 28.31 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.535 0.683 . . . . 1.03 109.285 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.408 ' HA ' HG23 ' A' 2124 ' ' THR . . . -82.56 142.17 32.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.797 -1.092 . . . . 1.06 109.583 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -49.1 -35.71 16.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.205 -0.907 . . . . 0.16 112.007 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.614 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.41 -64.8 0.7 Allowed 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 123.556 0.535 . . . . 2.13 110.574 174.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.447 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.8 t70 -55.58 -31.86 62.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 2.27 111.009 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' 2089 ' ' PHE . 79.3 mt -72.34 -18.11 61.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.807 -0.633 . . . . 1.06 112.048 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.84 9.23 7.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.397 -0.906 . . . . 0.22 113.708 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.59 HG23 HG23 ' A' 2119 ' ' ILE . 2.9 mm -76.27 129.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.249 0.547 . . . . 1.1 112.329 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.48 179.63 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.601 -0.727 . . . . 1.86 109.191 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 50.0 m -59.93 -34.02 72.67 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.357 0.526 . . . . 1.67 111.253 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.724 ' O ' ' HB3' ' A' 2100 ' ' LEU . 0.0 OUTLIER -64.0 -62.87 1.35 Allowed 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.628 0.771 . . . . 2.14 109.722 178.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.46 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.6 OUTLIER -64.05 -26.73 68.69 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 113.976 1.102 . . . . 1.07 113.976 179.139 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.506 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.45 -20.4 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.007 0.908 . . . . 1.06 109.58 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.724 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.2 OUTLIER -87.74 -48.29 7.98 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.275 -1.329 . . . . 1.73 108.595 177.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.523 ' N ' HD11 ' A' 2100 ' ' LEU . 24.6 mt-10 -56.52 -37.2 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.193 -0.912 . . . . 0.46 111.803 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.94 -61.74 2.32 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.458 -0.337 . . . . 1.76 111.178 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -47.99 -44.88 30.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.254 -0.885 . . . . 2.66 110.912 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.44 111.84 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.9 m -80.3 -43.45 21.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.926 0.393 . . . . 1.07 110.911 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.89 -46.87 73.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.116 -0.493 . . . . 2.08 111.864 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 2.0 t -67.3 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.397 0.618 . . . . 1.15 109.872 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.58 -48.96 52.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 1.66 110.173 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.8 -45.08 83.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.083 -0.962 . . . . 0.45 112.6 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.49 ' HB ' HD22 ' A' 2136 ' ' LEU . 38.5 p -75.32 -25.94 58.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.28 0.562 . . . . 1.1 109.761 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.56 0.85 83.92 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.105 -0.952 . . . . 0.36 111.934 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.507 ' CD2' HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -98.58 -160.35 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.455 -0.572 . . . . 1.23 109.455 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2113 ' ' ASP . . . . . 0.5 ' HA ' ' OG1' ' A' 2107 ' ' THR . 21.0 t70 -136.41 117.72 14.61 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.495 -0.775 . . . . 0.43 110.175 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.09 157.54 50.5 Favored Pre-proline 0 C--N 1.304 -1.393 0 CA-C-N 114.104 -1.407 . . . . 1.84 110.076 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' 2118 ' ' LEU . 83.5 Cg_endo -77.08 148.39 27.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.849 2.366 . . . . 0.39 111.854 174.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.73 -11.45 30.74 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.435 2.09 . . . . 0.52 111.153 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -91.98 6.23 47.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.477 -0.783 . . . . 1.12 111.93 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' 2115 ' ' PRO . 13.2 mt -37.72 -63.69 0.44 Allowed 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.598 0.713 . . . . 1.5 112.353 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.59 HG23 HG23 ' A' 2094 ' ' ILE . 6.4 mm -57.57 -24.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.113 -1.403 . . . . 1.07 111.792 -175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.07 -29.52 18.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.45 111.328 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.51 -32.02 20.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 1.34 110.881 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -140.77 79.8 18.73 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 108.609 -0.886 . . . . 0.52 108.609 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.718 ' O ' HG22 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.95 103.39 0.22 Allowed 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 121.864 1.71 . . . . 0.31 113.153 -172.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.718 HG22 ' O ' ' A' 2123 ' ' PRO . 4.8 p 167.87 157.23 0.14 Allowed Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 128.126 2.571 . . . . 1.03 104.766 160.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.503 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.1 -37.22 96.71 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 CA-C-N 121.528 1.581 . . . . 0.14 110.132 170.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 46.0 t60 -64.49 -48.95 73.27 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.789 -0.642 . . . . 0.5 111.395 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.33 -40.57 71.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.041 0.448 . . . . 1.0 110.961 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' 2128 ' ' LEU . 41.3 mt -75.14 -35.91 61.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.215 -0.448 . . . . 0.98 111.645 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 99.4 m -59.22 -30.93 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.648 0.737 . . . . 1.08 109.468 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.6 mm100 -78.87 -42.06 28.31 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.117 -0.947 . . . . 1.66 110.878 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.435 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.0 t60 -71.06 -52.05 21.69 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.41 110.814 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 25.7 mt -63.93 -27.94 69.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 1.72 111.721 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2133 ' ' HIS . . . . . 0.416 ' HB2' HD23 ' A' 2063 ' ' LEU . 16.1 t-80 -66.94 -42.83 84.62 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.894 -0.78 . . . . 0.35 108.894 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 30.9 m -62.25 -46.97 86.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.533 -0.758 . . . . 1.15 109.934 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2131 ' ' HIS . 14.1 mmm180 -57.68 -48.75 78.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.631 . . . . 1.97 112.412 -178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' 2112 ' ' LEU . 89.4 mt -65.49 -22.81 66.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.755 0.65 . . . . 1.61 112.755 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 112.649 0.611 . . . . 1.11 112.649 -172.385 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' 2060 ' ' GLN . 85.3 Cg_exo . . . . . 0 N--CA 1.461 -0.42 0 N-CA-C 112.873 0.297 . . . . 1.09 112.873 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2057 ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 50.6 tt0 -62.96 -38.96 93.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 2.45 111.441 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.98 -43.86 98.22 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.181 0.515 . . . . 2.21 109.622 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2059 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.855 . . . . 1.5 110.089 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -61.0 -59.15 5.82 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 116.071 -0.513 . . . . 1.24 110.263 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.479 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 92.1 mt-30 -50.92 -35.37 32.78 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.305 0.378 . . . . 1.89 111.601 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 86.6 m -58.22 -55.41 35.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.788 -0.642 . . . . 1.24 111.296 173.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.3 pp -77.79 -19.04 55.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.015 0.912 . . . . 1.88 109.519 -176.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.06 -48.86 64.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.989 -1.46 . . . . 1.08 108.329 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.4 m -62.48 -35.07 78.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 113.871 -1.513 . . . . 1.08 110.304 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -58.13 -61.91 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.644 -0.872 . . . . 2.03 108.644 175.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' 2063 ' ' LEU . 62.2 t -53.64 -45.89 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.779 -1.1 . . . . 1.09 111.087 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.404 ' HA ' HG23 ' A' 2083 ' ' ILE . . . -66.13 -46.52 77.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.344 -0.844 . . . . 1.03 111.797 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.76 71.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 1.09 110.509 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.05 88.98 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.501 -0.772 . . . . 1.04 110.257 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.733 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -85.87 -23.63 27.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.291 -0.564 . . . . 1.07 110.383 -177.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -52.83 -46.05 67.6 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.199 -0.667 . . . . 1.07 109.199 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.0 m -65.32 -50.18 66.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.686 -1.143 . . . . 1.17 110.675 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.2 t -62.65 -44.49 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.067 -0.97 . . . . 1.15 113.25 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.9 mt -75.82 -29.95 58.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.759 0.314 . . . . 1.18 110.591 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 113.29 49.11 0.57 Allowed Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.322 -0.942 . . . . 0.93 113.944 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.3 -10.23 0.74 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.66 0.615 . . . . 1.23 112.66 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 89.5 m-70 71.05 -49.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.232 0.827 . . . . 1.56 113.232 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.4 t -89.5 144.03 31.48 Favored Pre-proline 0 C--O 1.241 0.638 0 CA-C-O 121.957 0.885 . . . . 2.1 112.115 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.461 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 1.5 Cg_endo -86.36 2.61 7.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 125.326 4.017 . . . . 0.56 111.43 -178.217 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -74.07 -4.45 35.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.374 -0.83 . . . . 1.54 110.581 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 44.8 t -118.73 18.74 13.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 1.02 110.034 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' 2080 ' ' PRO . 14.3 mm -102.22 103.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.98 -0.555 . . . . 1.03 110.783 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 15.9 m -79.87 115.72 56.03 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.148 -0.478 . . . . 0.86 109.883 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.495 ' O ' ' HB ' ' A' 2124 ' ' THR . 18.9 Cg_endo -65.43 -28.78 54.03 Favored 'Trans proline' 0 CA--C 1.513 -0.571 0 C-N-CA 122.596 2.197 . . . . 0.18 112.494 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.28 53.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.718 -0.674 . . . . 0.98 111.113 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.44 ' O ' HG22 ' A' 2124 ' ' THR . 31.2 m -74.08 145.64 44.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.05 -0.722 . . . . 1.03 109.05 174.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.01 145.65 26.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.159 -0.928 . . . . 1.06 110.213 -177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.499 ' HB3' HG13 ' A' 2094 ' ' ILE . 44.2 m-85 -44.3 -40.43 5.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.135 -0.938 . . . . 0.16 111.204 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -45.35 -67.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 2.13 111.726 172.789 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.9 -27.67 66.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 2.27 111.66 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.51 -15.03 58.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.981 -0.554 . . . . 1.06 112.04 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.34 17.16 5.8 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.196 -1.002 . . . . 0.22 113.903 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.527 HG23 HG22 ' A' 2119 ' ' ILE . 0.5 OUTLIER -77.37 133.74 30.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 117.222 0.511 . . . . 1.1 112.092 178.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -110.34 179.99 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.722 -0.672 . . . . 1.86 109.3 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 57.5 p -63.22 -33.31 75.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.356 0.598 . . . . 1.67 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' 2100 ' ' LEU . 50.6 mt -69.08 -48.45 62.64 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.081 -0.963 . . . . 2.14 110.47 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.472 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -75.08 -26.46 59.36 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.32 -0.854 . . . . 1.07 112.98 178.114 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.53 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.21 -21.04 58.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.061 0.934 . . . . 1.06 109.423 171.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.728 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.4 OUTLIER -84.42 -49.84 8.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.104 -1.407 . . . . 1.73 108.507 178.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.483 ' N ' HD11 ' A' 2100 ' ' LEU . 25.7 mt-10 -55.23 -43.14 74.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.808 -1.087 . . . . 0.46 112.082 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' 2071 ' ' THR . 5.8 mt -53.77 -67.17 0.28 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.88 0.371 . . . . 1.76 111.811 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.1 OUTLIER -50.53 -34.11 24.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.236 -0.893 . . . . 2.66 110.732 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' 2103 ' ' ARG . 36.2 m-20 -59.59 -52.15 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.44 111.151 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.5 m -66.21 -39.09 89.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.98 0.419 . . . . 1.07 110.776 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' 2102 ' ' LEU . 6.9 mp -64.65 -54.22 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.896 -0.593 . . . . 2.08 111.558 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.9 t -64.9 -28.12 69.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 1.15 110.161 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.8 t60 -66.29 -53.18 39.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.518 -0.764 . . . . 1.66 110.215 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.8 -44.3 86.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.922 -1.036 . . . . 0.45 112.736 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 54.7 p -76.18 -24.45 54.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.768 0.794 . . . . 1.1 109.435 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.18 3.1 89.11 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.878 -1.056 . . . . 0.36 112.094 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.77 -157.8 0.53 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.259 0.552 . . . . 1.23 109.881 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -135.2 123.94 23.8 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.869 -1.06 . . . . 0.43 109.315 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.437 ' HB3' HD11 ' A' 2118 ' ' LEU . 72.7 mt -128.72 151.62 77.42 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.366 -0.833 . . . . 1.84 111.833 -169.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' 2118 ' ' LEU . 80.4 Cg_endo -80.57 155.83 21.38 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.16 2.574 . . . . 0.39 111.407 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.466 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.2 Cg_endo -77.94 -0.36 10.59 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.937 1.758 . . . . 0.52 111.432 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -96.06 -0.22 50.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.007 -0.542 . . . . 1.12 112.018 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' 2114 ' ' LEU . 30.9 mt -40.28 -62.37 0.76 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.737 0.78 . . . . 1.5 112.153 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.6 mm -57.67 -22.61 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.77 -1.559 . . . . 1.07 111.742 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -90.27 -33.32 16.18 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.45 111.698 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.26 -41.1 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.17 0.509 . . . . 1.34 111.554 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -128.22 74.76 79.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.251 -1.018 . . . . 0.52 108.251 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.721 ' O ' HG21 ' A' 2124 ' ' THR . 44.5 Cg_endo -92.28 102.31 0.19 Allowed 'Trans proline' 0 N--CA 1.433 -2.032 0 C-N-CA 121.622 1.548 . . . . 0.31 112.372 -170.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.721 HG21 ' O ' ' A' 2123 ' ' PRO . 2.1 p 168.97 157.05 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 127.736 2.414 . . . . 1.03 105.158 163.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.423 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 46.6 Cg_exo -55.96 -38.73 94.24 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 CA-C-N 120.828 1.332 . . . . 0.14 109.91 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.489 ' O ' ' HG3' ' A' 2130 ' ' GLN . 66.8 t60 -66.72 -46.46 75.41 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.5 112.022 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.85 73.3 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.082 0.468 . . . . 1.0 110.756 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 39.9 mt -75.81 -29.18 58.59 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.98 111.442 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.456 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 55.0 m -61.85 -26.06 67.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.611 0.719 . . . . 1.08 109.211 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.8 mt-30 -80.91 -52.16 7.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.28 -0.873 . . . . 1.66 110.245 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.581 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.8 t60 -58.92 -54.09 51.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.286 -0.415 . . . . 0.41 111.502 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' 2114 ' ' LEU . 2.1 mm? -64.28 -29.1 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.871 0.323 . . . . 1.72 111.871 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2133 ' ' HIS . . . . . 0.458 ' O ' HG21 ' A' 2137 ' ' THR . 11.3 t-160 -68.39 -46.04 71.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.35 109.252 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 42.0 m -64.7 -45.75 85.27 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.351 -0.386 . . . . 1.15 110.878 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.1 mmp_? -49.04 -49.32 41.88 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.847 0.356 . . . . 1.97 111.666 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.3 -38.58 90.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.089 -0.505 . . . . 1.61 112.171 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2137 ' ' THR . . . . . 0.458 HG21 ' O ' ' A' 2133 ' ' HIS . 82.5 p . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.943 0.401 . . . . 1.11 111.597 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.725 ' O ' ' HG3' ' A' 2060 ' ' GLN . 28.6 Cg_exo . . . . . 0 N--CA 1.465 -0.183 0 N-CA-C 113.55 0.558 . . . . 1.09 113.55 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.35 -39.22 86.37 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.244 0.34 . . . . 2.45 111.345 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.1 -43.93 91.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.368 0.604 . . . . 2.21 109.827 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.588 ' O ' ' HB ' ' A' 2062 ' ' THR . 43.1 mt-30 -66.69 -39.47 88.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.293 -0.867 . . . . 1.5 110.272 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.725 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.0 mt-30 -60.35 -58.58 7.89 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.112 -0.495 . . . . 1.24 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.508 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 56.6 mt-30 -54.48 -33.58 60.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.092 0.473 . . . . 1.89 111.573 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.9 m -53.15 -52.15 59.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.575 -0.739 . . . . 1.24 110.794 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.03 -23.77 41.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.775 0.798 . . . . 1.88 109.709 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -67.46 -32.05 72.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.391 -1.277 . . . . 1.08 108.858 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.1 m -85.64 -34.96 21.22 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.679 -1.601 . . . . 1.08 110.249 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -59.59 5.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.57 0.7 . . . . 2.03 109.304 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.512 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 55.5 t -55.76 -41.41 65.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.196 . . . . 1.09 110.897 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.468 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -64.76 -47.56 77.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.796 -1.093 . . . . 1.03 111.159 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.512 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.83 -31.55 70.97 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.116 0.484 . . . . 1.09 110.992 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.531 -0.759 . . . . 1.04 110.372 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.771 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -87.07 -24.81 24.45 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 119.869 -0.733 . . . . 1.07 110.598 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -50.71 -45.52 58.45 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.275 -0.639 . . . . 1.07 109.275 167.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.8 m -71.58 -48.95 44.96 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.296 -0.865 . . . . 1.17 110.803 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.665 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.31 -41.92 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 113.277 0.843 . . . . 1.15 113.277 -175.707 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.771 ' HG ' ' O ' ' A' 2071 ' ' THR . 8.9 mt -79.28 -24.29 43.0 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.199 0.523 . . . . 1.18 110.285 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.71 51.22 2.0 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.93 112.67 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.2 p80 -142.91 -3.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.625 -0.43 . . . . 1.23 111.843 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.52 ' C ' ' HB1' ' A' 2072 ' ' ALA . 36.3 m-70 66.52 -43.71 0.42 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.156 1.539 . . . . 1.56 115.156 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.3 p -73.4 123.47 89.49 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 113.599 0.963 . . . . 2.1 113.599 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.512 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.6 Cg_exo -84.37 -13.68 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.961 3.107 . . . . 0.56 110.761 174.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.93 -18.01 45.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.032 -0.986 . . . . 1.54 110.502 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.1 t -92.39 17.45 9.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.592 0.711 . . . . 1.02 110.067 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' 2068 ' ' ALA . 12.3 mm -102.68 124.57 56.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.729 -0.669 . . . . 1.03 110.61 -177.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 14.6 m -90.59 109.24 32.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.86 110.329 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.91 -26.78 51.43 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 C-N-CA 122.698 2.265 . . . . 0.18 112.583 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.65 -30.59 46.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.536 -0.756 . . . . 0.98 111.346 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.497 ' O ' HG23 ' A' 2124 ' ' THR . 33.1 m -75.12 146.91 40.98 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.45 0.643 . . . . 1.03 109.506 176.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -80.78 141.5 34.68 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.088 -0.96 . . . . 1.06 109.416 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.512 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 37.6 m-85 -46.35 -37.93 8.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.16 112.342 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.58 -64.73 0.72 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.263 0.554 . . . . 2.13 110.572 175.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.54 -30.87 65.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.843 -1.072 . . . . 2.27 111.274 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' 2089 ' ' PHE . 82.9 mt -71.06 -14.91 62.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 1.06 112.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.74 4.53 14.92 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.235 -0.983 . . . . 0.22 113.456 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.509 HG13 ' HB3' ' A' 2089 ' ' PHE . 6.1 mm -68.91 133.04 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.312 0.577 . . . . 1.1 112.485 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 30.7 t70 -110.42 167.98 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.159 -0.928 . . . . 1.86 108.794 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.2 m -52.45 -39.31 60.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.306 0.503 . . . . 1.67 111.926 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.3 tp -63.48 -55.35 24.81 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.132 0.573 . . . . 2.14 110.945 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.463 HG22 HG12 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.89 -25.96 63.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.878 0.696 . . . . 1.07 112.878 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.479 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.77 -24.64 64.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.871 0.843 . . . . 1.06 109.316 170.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -37.28 14.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.829 -1.078 . . . . 1.73 109.144 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' 2097 ' ' LEU . 27.8 mt-10 -65.54 -37.66 87.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.546 . . . . 0.46 110.882 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' 2106 ' ' LEU . 11.0 mt -55.43 -58.71 6.62 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.313 0.577 . . . . 1.76 110.055 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.0 tmt_? -48.14 -43.71 31.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.191 -1.368 . . . . 2.66 110.882 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.87 -44.14 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 0.44 111.359 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 62.6 m -75.31 -40.86 58.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 1.07 111.202 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 2102 ' ' LEU . 84.0 mt -68.4 -47.8 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 2.08 111.427 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.7 t -65.54 -27.02 68.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.31 0.576 . . . . 1.15 109.818 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.71 -52.44 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 1.66 110.411 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -60.32 -43.79 96.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.279 -0.873 . . . . 0.45 112.195 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.42 HG21 HD13 ' A' 2132 ' ' LEU . 40.4 p -78.22 -28.01 47.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.457 0.646 . . . . 1.1 110.072 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.94 7.17 74.64 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.151 -0.932 . . . . 0.36 112.062 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.85 -158.94 0.7 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.295 0.569 . . . . 1.23 109.973 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -135.67 124.34 23.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.941 -1.027 . . . . 0.43 109.646 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.1 mt -133.6 155.13 80.84 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 115.172 -0.922 . . . . 1.84 111.47 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -81.09 154.03 19.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.309 2.673 . . . . 0.39 111.843 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.17 1.1 7.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.1 1.867 . . . . 0.52 111.551 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.6 p -96.14 -0.02 50.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.12 111.786 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 51.4 mt -38.15 -62.26 0.59 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.578 0.704 . . . . 1.5 112.065 173.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.482 HG21 HG22 ' A' 2094 ' ' ILE . 9.3 mm -57.03 -25.28 22.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 113.86 -1.518 . . . . 1.07 111.718 -175.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -90.41 -32.18 16.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.331 -0.395 . . . . 0.45 111.967 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.62 -33.21 21.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.297 0.57 . . . . 1.34 110.671 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -132.3 74.34 76.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.529 -0.915 . . . . 0.52 108.529 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.711 ' O ' HG22 ' A' 2124 ' ' THR . 19.6 Cg_endo -91.61 102.94 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.771 0 C-N-CA 122.032 1.821 . . . . 0.31 112.625 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.711 HG22 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.56 156.31 0.13 Allowed Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 127.853 2.461 . . . . 1.03 105.206 160.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.1 Cg_exo -55.93 -37.44 95.99 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.356 1.52 . . . . 0.14 110.487 172.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.61 -43.16 76.99 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.5 111.618 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.45 75.52 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.959 0.409 . . . . 1.0 110.782 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.347 -0.388 . . . . 0.98 111.367 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 54.4 m -58.63 -31.96 68.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.095 -0.706 . . . . 1.08 109.095 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -80.35 -41.29 25.03 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.017 -0.992 . . . . 1.66 110.273 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.49 -53.89 36.03 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-N 116.413 -0.358 . . . . 0.41 111.404 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.42 HD13 HG21 ' A' 2110 ' ' THR . 2.1 mm? -61.55 -31.29 71.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.617 0.246 . . . . 1.72 111.167 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.58 -39.49 70.53 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.714 -0.476 . . . . 0.35 109.714 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 99.4 m -62.8 -51.12 68.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 1.15 110.257 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.445 ' HB3' HD12 ' A' 2112 ' ' LEU . 10.0 mmm180 -46.95 -56.46 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.722 0.638 . . . . 1.97 112.722 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.411 HD23 HD22 ' A' 2112 ' ' LEU . 79.8 mt -63.48 -38.74 92.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.173 -0.467 . . . . 1.61 112.215 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 120.957 0.408 . . . . 1.11 111.349 -174.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.596 ' O ' ' HG3' ' A' 2060 ' ' GLN . 12.6 Cg_exo . . . . . 0 CA--C 1.532 0.392 0 N-CA-C 114.712 1.005 . . . . 1.09 114.712 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -64.7 -42.82 95.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.613 0.188 . . . . 2.45 111.075 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2058 ' ' GLN . . . . . 0.562 ' HA ' HE21 ' A' 2058 ' ' GLN . 0.0 OUTLIER -60.19 -40.53 90.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.369 0.604 . . . . 2.21 109.449 175.394 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.635 ' O ' ' HB ' ' A' 2062 ' ' THR . 97.9 mt-30 -59.64 -40.9 89.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.047 -0.978 . . . . 1.5 110.266 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.6 mt-30 -62.21 -53.49 54.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.822 0.344 . . . . 1.24 110.45 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.522 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 49.2 mt-30 -52.5 -30.93 32.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.48 -0.782 . . . . 1.89 111.475 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.7 m -53.22 -57.28 11.03 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.378 -0.828 . . . . 1.24 111.722 174.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' 2059 ' ' GLN . 0.0 OUTLIER -72.28 -35.89 68.83 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 108.462 -0.94 . . . . 1.88 108.462 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -54.17 -42.14 69.29 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.643 -1.617 . . . . 1.08 109.706 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 33.1 m -78.41 -43.12 28.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.059 -1.428 . . . . 1.08 111.304 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.3 tp -57.13 -59.74 4.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.515 0.674 . . . . 2.03 110.975 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.459 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 53.3 t -52.98 -42.14 43.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.397 -1.274 . . . . 1.09 111.169 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.42 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -67.89 -46.88 70.4 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.426 -0.806 . . . . 1.03 111.051 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.505 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.46 -32.03 72.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.2 0.524 . . . . 1.09 110.626 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.72 86.97 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.49 -0.777 . . . . 1.04 110.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.783 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.0 t -86.79 -25.01 24.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.853 -0.739 . . . . 1.07 110.439 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -51.79 -44.28 63.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.221 -0.659 . . . . 1.07 109.221 166.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.3 m -69.82 -49.84 48.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.267 -0.879 . . . . 1.17 110.792 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.659 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -60.95 -40.13 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 113.421 0.897 . . . . 1.15 113.421 -174.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -81.2 -22.05 39.15 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.253 0.549 . . . . 1.18 110.16 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 91.44 54.11 2.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.582 -0.736 . . . . 0.93 112.607 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.6 p80 -145.66 -6.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.621 -0.432 . . . . 1.23 111.944 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.543 ' C ' ' HB1' ' A' 2072 ' ' ALA . 29.1 m-70 67.18 -34.29 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.286 1.587 . . . . 1.56 115.286 171.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 13.6 p -79.05 122.36 84.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 113.582 0.956 . . . . 2.1 113.582 -175.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.505 ' HB3' ' N ' ' A' 2069 ' ' ALA . 3.6 Cg_exo -85.15 -17.97 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.925 3.083 . . . . 0.56 111.086 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.68 -18.9 56.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.448 -0.796 . . . . 1.54 110.342 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -94.61 21.01 7.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.366 0.603 . . . . 1.02 110.219 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.473 HD11 HG21 ' A' 2071 ' ' THR . 12.8 mm -104.63 111.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.522 -0.763 . . . . 1.03 110.352 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.0 m -79.96 113.16 35.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.86 110.624 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.495 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 27.5 Cg_endo -66.78 -27.39 44.37 Favored 'Trans proline' 0 CA--C 1.513 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.18 112.995 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.01 53.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.939 -0.573 . . . . 0.98 111.441 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 29.4 m -74.63 146.89 42.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.45 0.643 . . . . 1.03 109.394 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.42 143.56 30.2 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.001 -0.999 . . . . 1.06 109.612 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.488 ' HB3' HG13 ' A' 2094 ' ' ILE . 33.5 m-85 -49.37 -38.94 30.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.655 -0.702 . . . . 0.16 112.056 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.62 -63.24 1.14 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.219 0.533 . . . . 2.13 110.628 174.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.434 ' HB3' ' CG2' ' A' 2087 ' ' THR . 15.0 t70 -57.53 -30.79 65.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.038 -0.983 . . . . 2.27 111.048 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 88.7 mt -73.27 -17.96 61.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.734 -0.666 . . . . 1.06 112.33 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.77 4.24 9.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.079 -1.058 . . . . 0.22 113.458 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.511 HG23 HG22 ' A' 2119 ' ' ILE . 5.5 mm -69.54 129.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.111 0.782 . . . . 1.1 113.111 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -105.48 178.02 4.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.343 -0.844 . . . . 1.86 108.854 172.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 12.4 p -60.64 -42.95 97.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.085 0.469 . . . . 1.67 111.372 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' 2101 ' ' GLU . 11.4 tp -60.54 -54.1 49.48 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.57 -0.741 . . . . 2.14 110.893 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.471 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -70.31 -26.54 63.83 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.039 0.755 . . . . 1.07 113.039 -179.012 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.452 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.13 -23.52 63.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.905 0.86 . . . . 1.06 109.521 170.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.82 -37.43 14.48 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.83 -1.077 . . . . 1.73 109.058 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.471 ' HG3' ' HA ' ' A' 2098 ' ' THR . 32.7 mt-10 -65.11 -36.87 85.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.072 -0.513 . . . . 0.46 111.37 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.451 ' O ' HD11 ' A' 2106 ' ' LEU . 12.8 mt -55.38 -61.44 2.33 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.285 0.564 . . . . 1.76 110.011 171.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.3 tmt_? -49.17 -40.1 31.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.413 -1.267 . . . . 2.66 111.248 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.7 m-20 -55.01 -51.94 64.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.44 110.827 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 8.4 m -67.83 -41.19 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.64 . . . . 1.07 110.498 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' 2102 ' ' LEU . 5.8 mp -60.52 -59.9 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 2.08 112.0 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.7 t -65.37 -27.92 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.998 0.427 . . . . 1.15 110.635 -174.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.7 -53.26 35.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.408 0.623 . . . . 1.66 110.136 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.93 -34.83 79.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.864 -1.062 . . . . 0.45 112.688 -176.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 32.9 p -83.78 -27.03 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.115 0.483 . . . . 1.1 111.01 -173.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.54 12.27 75.75 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.423 -0.808 . . . . 0.36 112.031 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -108.31 -160.08 0.71 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.316 0.579 . . . . 1.23 110.024 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -134.35 125.45 27.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.845 -1.07 . . . . 0.43 109.379 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 83.3 mt -133.56 152.66 79.47 Favored Pre-proline 0 C--N 1.309 -1.155 0 CA-C-N 115.148 -0.933 . . . . 1.84 110.879 -172.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.614 ' O ' ' HG ' ' A' 2118 ' ' LEU . 68.8 Cg_endo -79.75 150.72 21.5 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 123.135 2.556 . . . . 0.39 112.092 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.07 -0.32 8.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.277 1.985 . . . . 0.52 111.548 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 8.5 p -98.77 4.18 47.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.775 -0.648 . . . . 1.12 112.131 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' 2115 ' ' PRO . 49.9 mt -38.94 -63.02 0.56 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.522 0.677 . . . . 1.5 112.219 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.511 HG22 HG23 ' A' 2094 ' ' ILE . 6.9 mm -57.22 -23.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 113.978 -1.465 . . . . 1.07 111.784 -175.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -86.91 -31.12 20.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.258 -0.428 . . . . 0.45 111.706 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.23 -36.37 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.287 0.565 . . . . 1.34 111.014 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -126.06 72.16 70.18 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.659 -0.867 . . . . 0.52 108.659 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' 2124 ' ' THR . 14.4 Cg_endo -91.79 103.23 0.22 Allowed 'Trans proline' 0 N--CA 1.437 -1.824 0 C-N-CA 121.82 1.68 . . . . 0.31 112.838 -171.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.752 HG23 ' O ' ' A' 2123 ' ' PRO . 6.9 p 168.32 159.15 0.16 Allowed Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 128.031 2.532 . . . . 1.03 104.959 159.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -57.23 -37.11 98.82 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 CA-C-N 121.192 1.462 . . . . 0.14 110.21 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.605 ' O ' ' HG3' ' A' 2130 ' ' GLN . 70.2 t60 -67.27 -47.79 69.66 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.5 111.592 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.26 67.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.127 0.421 . . . . 1.0 110.801 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' 2128 ' ' LEU . 37.6 mt -76.32 -33.76 59.02 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.184 -0.462 . . . . 0.98 111.398 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 42.8 m -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.984 -0.747 . . . . 1.08 108.984 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -74.61 -47.24 33.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.109 -0.95 . . . . 1.66 110.097 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.09 -51.71 65.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.047 -0.524 . . . . 0.41 111.297 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' 2136 ' ' LEU . 2.2 mm? -63.28 -37.21 86.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 121.078 -0.249 . . . . 1.72 111.31 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.85 -32.66 73.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.124 -0.695 . . . . 0.35 109.124 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.7 m -69.94 -46.42 65.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 1.15 110.589 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.481 ' HB3' HD11 ' A' 2112 ' ' LEU . 7.8 mmm180 -62.87 -51.01 68.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.736 0.643 . . . . 1.97 112.736 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' 2132 ' ' LEU . 4.2 mm? -63.62 -17.89 63.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.057 0.762 . . . . 1.61 113.057 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.683 0.754 . . . . 1.11 111.298 -177.296 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.523 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.2 Cg_exo . . . . . 0 CA--C 1.531 0.341 0 N-CA-C 115.529 1.319 . . . . 1.09 115.529 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.49 -36.63 81.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 2.45 110.692 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -64.96 -40.27 94.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.575 -0.528 . . . . 2.21 109.575 174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.576 ' O ' ' HB ' ' A' 2062 ' ' THR . 29.3 mt-30 -57.87 -40.78 81.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.302 -0.863 . . . . 1.5 110.259 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.643 ' O ' ' HG ' ' A' 2063 ' ' LEU . 18.9 mt-30 -60.16 -58.8 6.98 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.123 -0.49 . . . . 1.24 110.201 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.7 mt-30 -53.28 -35.85 60.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.029 0.443 . . . . 1.89 111.3 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.1 m -53.47 -55.31 26.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 1.24 111.339 172.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.36 -21.62 45.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.862 0.839 . . . . 1.88 109.465 -175.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.7 -43.71 92.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.995 -1.457 . . . . 1.08 108.553 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.6 m -70.28 -34.85 73.27 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 113.522 -1.672 . . . . 1.08 110.607 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -52.72 64.36 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.312 -0.625 . . . . 2.03 109.312 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' 2063 ' ' LEU . 58.2 t -56.75 -46.38 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.02 -0.991 . . . . 1.09 111.088 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.67 83.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.573 -0.74 . . . . 1.03 111.246 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.514 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 1.09 110.491 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.75 84.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.487 -0.779 . . . . 1.04 110.396 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.729 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -87.67 -20.48 26.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 119.908 -0.717 . . . . 1.07 110.524 -176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.34 52.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.876 -0.602 . . . . 1.07 109.764 169.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.7 m -65.89 -49.04 69.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.055 -0.975 . . . . 1.17 110.877 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.663 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -59.89 -45.73 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.285 -0.87 . . . . 1.15 112.963 -176.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.5 mt -76.47 -31.11 57.6 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.9 0.381 . . . . 1.18 111.012 -176.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 114.76 47.66 0.56 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.381 -0.914 . . . . 0.93 113.923 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' 2078 ' ' HIS . 0.2 OUTLIER -139.62 -17.14 1.0 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 117.416 0.608 . . . . 1.23 112.503 174.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' 2077 ' ' HIS . 31.1 m-70 70.55 -38.86 0.43 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.429 HG23 ' OE1' ' A' 2081 ' ' GLU . 1.3 t -90.82 142.01 27.29 Favored Pre-proline 0 C--O 1.238 0.477 0 CA-C-O 121.713 0.768 . . . . 2.1 111.93 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.514 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.0 Cg_endo -89.43 -0.17 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.341 1 C-N-CA 125.44 4.093 . . . . 0.56 112.601 -178.205 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2081 ' ' GLU . . . . . 0.429 ' OE1' HG23 ' A' 2079 ' ' THR . 1.3 pm0 -67.77 -10.55 53.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.664 -0.698 . . . . 1.54 110.771 -175.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 42.2 t -116.68 18.98 14.77 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.14 -0.936 . . . . 1.02 110.552 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.463 HD13 HG23 ' A' 2071 ' ' THR . 15.0 mm -100.29 111.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 1.03 110.659 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.2 m -87.32 113.65 54.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.86 110.4 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 17.7 Cg_endo -65.54 -29.45 52.75 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.747 2.298 . . . . 0.18 112.811 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.903 -0.589 . . . . 0.98 111.185 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.462 ' O ' HG23 ' A' 2124 ' ' THR . 35.3 m -76.38 148.42 37.38 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.336 -0.616 . . . . 1.03 109.336 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.01 143.31 29.86 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.341 -0.845 . . . . 1.06 109.662 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.506 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.6 m-85 -47.95 -39.47 19.39 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.745 0.653 . . . . 0.16 111.784 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.59 -63.2 1.07 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.689 -0.687 . . . . 2.13 111.375 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' 2087 ' ' THR . 13.8 t70 -57.81 -31.93 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 2.27 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' 2089 ' ' PHE . 83.9 mt -73.54 -15.02 61.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.57 -0.741 . . . . 1.06 112.303 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.12 0.99 11.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.126 -1.035 . . . . 0.22 113.618 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.2 mm -67.69 129.94 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.492 0.663 . . . . 1.1 112.495 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -103.88 168.89 8.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.983 -1.117 . . . . 1.86 107.983 172.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 11.5 t -58.73 -31.89 68.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.619 0.645 . . . . 1.67 110.848 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.5 mt -68.39 -53.64 22.51 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.168 0.509 . . . . 2.14 109.771 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.428 ' CG2' HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.16 -26.24 64.76 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.819 -0.628 . . . . 1.07 112.547 179.084 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.512 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.76 -23.89 65.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.998 0.904 . . . . 1.06 109.527 170.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.627 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.16 -37.06 14.44 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.627 -1.17 . . . . 1.73 108.884 178.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.5 mt-10 -67.49 -35.91 80.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 0.46 111.5 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' 2071 ' ' THR . 9.5 mt -55.65 -63.77 1.06 Allowed 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.116 0.484 . . . . 1.76 111.012 174.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' 2100 ' ' LEU . 2.3 ppt_? -54.95 -30.13 58.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.926 -1.034 . . . . 2.66 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 2101 ' ' GLU . 69.3 m-20 -58.73 -48.36 81.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 0.44 110.617 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 28.0 m -70.52 -41.45 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.07 110.637 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.468 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.9 mp -61.12 -57.78 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 2.08 111.683 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.498 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 6.0 t -60.59 -28.06 68.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.256 0.551 . . . . 1.15 110.495 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.1 t60 -73.7 -48.79 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.66 110.623 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -66.54 -40.92 89.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.297 -0.865 . . . . 0.45 112.181 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.506 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.0 p -80.32 -24.53 39.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.979 -0.555 . . . . 1.1 110.364 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.13 9.55 82.05 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.36 112.121 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -103.08 -159.3 0.72 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.116 0.484 . . . . 1.23 109.776 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2113 ' ' ASP . . . . . 0.498 ' HA ' ' OG1' ' A' 2107 ' ' THR . 23.5 t70 -134.91 125.73 27.28 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.976 -1.011 . . . . 0.43 109.415 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' 2118 ' ' LEU . 72.2 mt -131.28 149.6 74.1 Favored Pre-proline 0 C--N 1.307 -1.28 0 CA-C-N 115.233 -0.894 . . . . 1.84 110.696 -172.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.44 157.0 25.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.251 2.634 . . . . 0.39 112.134 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -75.53 2.88 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.318 2.012 . . . . 0.52 111.158 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 19.4 p -106.57 5.96 29.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.471 -0.786 . . . . 1.12 112.081 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' 2114 ' ' LEU . 17.7 mt -42.42 -63.53 0.75 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.446 0.641 . . . . 1.5 112.088 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.2 mm -56.58 -24.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.044 -1.435 . . . . 1.07 111.786 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -88.62 -32.26 18.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.45 111.697 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.46 -34.75 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.266 0.555 . . . . 1.34 110.603 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -131.77 77.08 73.23 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.373 -0.973 . . . . 0.52 108.373 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.652 ' O ' HG22 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.07 102.95 0.26 Allowed 'Trans proline' 0 N--CA 1.44 -1.634 0 C-N-CA 121.443 1.429 . . . . 0.31 112.623 -172.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.652 HG22 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 158.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 127.757 2.423 . . . . 1.03 105.294 160.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.5 Cg_exo -57.08 -36.87 99.37 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 121.2 1.464 . . . . 0.14 110.074 170.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 71.3 t60 -69.29 -43.07 74.59 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.874 -0.603 . . . . 0.5 112.039 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.6 76.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.161 0.505 . . . . 1.0 110.424 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' 2128 ' ' LEU . 28.0 mt -71.98 -28.76 63.63 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.005 -0.543 . . . . 0.98 111.4 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.44 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.3 m -61.43 -29.22 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 1.08 109.277 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.17 -44.81 19.19 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.283 -0.872 . . . . 1.66 110.171 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.24 -52.02 31.82 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.495 -0.321 . . . . 0.41 111.613 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.86 -28.78 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.753 0.279 . . . . 1.72 111.753 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -68.46 -39.73 81.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.278 -0.638 . . . . 0.35 109.278 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.0 m -64.23 -46.55 83.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.964 -0.562 . . . . 1.15 110.392 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.497 ' HB3' HD12 ' A' 2112 ' ' LEU . 11.0 mmm180 -62.12 -46.24 89.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.158 -0.473 . . . . 1.97 111.986 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' 2110 ' ' THR . 95.3 mt -74.07 -5.13 39.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.842 0.682 . . . . 1.61 112.842 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.203 0.525 . . . . 1.11 111.116 179.199 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.59 ' O ' ' HB2' ' A' 2059 ' ' GLN . 5.2 Cg_exo . . . . . 0 CA--C 1.53 0.324 0 N-CA-C 115.549 1.327 . . . . 1.09 115.549 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -71.37 -35.42 71.09 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.139 -0.624 . . . . 2.45 110.845 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.88 -42.27 97.61 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.039 -0.726 . . . . 2.21 109.039 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' 2056 ' ' PRO . 93.4 mt-30 -53.55 -48.42 69.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.535 -1.212 . . . . 1.5 110.291 174.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.535 ' O ' ' HG ' ' A' 2063 ' ' LEU . 42.5 mt-30 -59.29 -54.28 48.58 Favored 'General case' 0 C--O 1.203 -1.362 0 CA-C-N 115.498 -0.774 . . . . 1.24 110.134 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.491 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 70.7 mt-30 -52.54 -38.69 60.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.913 0.387 . . . . 1.89 111.511 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.2 m -54.24 -55.45 27.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.645 . . . . 1.24 111.428 173.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.8 pp -80.49 -18.67 47.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.928 0.871 . . . . 1.88 109.63 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -66.01 -46.97 76.02 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.973 -1.467 . . . . 1.08 108.089 174.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 91.0 m -63.25 -38.79 92.54 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.595 -1.639 . . . . 1.08 110.306 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -54.91 41.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 2.03 109.254 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 2063 ' ' LEU . 55.7 t -57.3 -46.27 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.247 -0.888 . . . . 1.09 111.021 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.432 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -62.0 -48.02 82.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.265 -0.88 . . . . 1.03 111.35 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -32.65 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 1.09 110.748 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.64 92.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.62 -0.718 . . . . 1.04 110.501 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.778 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.4 -26.97 23.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 120.002 -0.679 . . . . 1.07 110.389 -176.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.512 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -44.33 59.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.977 -0.749 . . . . 1.07 108.977 166.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.9 m -70.39 -50.07 42.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.231 -0.895 . . . . 1.17 111.03 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.636 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.6 OUTLIER -59.43 -43.41 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.146 0.795 . . . . 1.15 113.146 -175.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.778 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.7 mt -78.47 -26.64 46.14 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.218 0.532 . . . . 1.18 110.139 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 95.2 47.34 2.63 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.381 -0.827 . . . . 0.93 112.76 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.401 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.0 p80 -137.31 -8.61 1.73 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 120.427 -0.509 . . . . 1.23 111.722 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.512 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.5 m-70 72.37 -30.59 0.21 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.269 1.581 . . . . 1.56 115.269 166.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.3 p -84.4 125.01 72.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 119.36 0.982 . . . . 2.1 113.393 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.1 Cg_exo -85.63 -13.05 6.12 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.919 3.079 . . . . 0.56 110.862 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.82 -13.22 51.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 1.54 110.379 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.1 t -100.83 19.33 17.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.45 0.643 . . . . 1.02 109.891 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.453 HD13 HG22 ' A' 2071 ' ' THR . 14.2 mm -100.53 115.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.505 -0.77 . . . . 1.03 109.913 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 13.9 m -84.65 110.47 27.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 0.86 110.331 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.49 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 25.7 Cg_endo -66.46 -27.67 46.61 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 C-N-CA 122.48 2.12 . . . . 0.18 112.585 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.68 -30.65 52.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.98 110.96 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.446 ' O ' HG23 ' A' 2124 ' ' THR . 63.0 m -74.98 148.53 39.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.188 -0.671 . . . . 1.03 109.188 175.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -82.86 144.29 30.19 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.974 -1.012 . . . . 1.06 109.654 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.495 ' HB3' HG13 ' A' 2094 ' ' ILE . 31.8 m-85 -49.14 -37.22 21.38 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.727 0.642 . . . . 0.16 111.873 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.579 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.08 -65.38 0.58 Allowed 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.917 -0.583 . . . . 2.13 110.865 174.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' 2087 ' ' THR . 23.5 t70 -57.77 -27.34 62.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.468 -0.787 . . . . 2.27 111.335 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' 2089 ' ' PHE . 84.9 mt -74.57 -14.5 60.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.854 -0.612 . . . . 1.06 112.018 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.39 0.79 14.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.322 -0.942 . . . . 0.22 113.583 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' 2089 ' ' PHE . 6.3 mm -66.62 132.19 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.883 0.697 . . . . 1.1 112.883 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -107.39 178.09 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.114 -0.948 . . . . 1.86 108.924 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.6 p -57.75 -39.66 77.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.176 0.512 . . . . 1.67 111.261 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' 2101 ' ' GLU . 51.9 mt -65.21 -53.94 37.06 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.395 -0.82 . . . . 2.14 110.24 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.472 HG21 HG13 ' A' 2074 ' ' VAL . 0.8 OUTLIER -71.06 -26.35 63.03 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.587 -0.733 . . . . 1.07 112.736 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.538 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.69 -24.32 65.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.012 0.91 . . . . 1.06 109.23 170.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -39.87 12.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.438 -1.256 . . . . 1.73 109.391 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.6 mt-10 -63.69 -36.39 83.7 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.826 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.1 mt -57.08 -59.32 5.25 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 121.251 0.548 . . . . 1.76 110.337 172.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -44.04 28.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.439 -1.255 . . . . 2.66 110.692 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -57.14 -53.38 58.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.909 -0.587 . . . . 0.44 111.493 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 95.1 m -66.88 -43.43 83.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.474 -0.33 . . . . 1.07 111.445 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 2102 ' ' LEU . 94.3 mt -64.81 -51.21 63.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.341 -0.39 . . . . 2.08 111.471 -177.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.65 -28.1 68.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.164 0.506 . . . . 1.15 110.183 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.87 -53.08 35.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 1.66 110.201 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -60.72 -49.5 77.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.45 112.006 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.49 ' HB ' HD23 ' A' 2136 ' ' LEU . 36.2 p -74.22 -21.72 59.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.37 0.605 . . . . 1.1 110.221 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.14 10.8 85.1 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.025 -0.989 . . . . 0.36 112.084 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.419 HD21 HD21 ' A' 2136 ' ' LEU . 0.0 OUTLIER -101.91 -160.17 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.362 0.601 . . . . 1.23 109.495 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.25 123.78 22.2 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.917 -1.038 . . . . 0.43 109.052 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 69.5 mt -129.95 154.98 81.27 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 114.825 -1.08 . . . . 1.84 111.007 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -80.76 148.46 17.72 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.151 2.567 . . . . 0.39 111.806 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.75 -2.47 11.47 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.03 1.82 . . . . 0.52 111.162 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.0 p -94.38 2.06 55.81 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.731 -0.668 . . . . 1.12 111.493 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' 2115 ' ' PRO . 16.9 mt -36.95 -67.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.812 0.671 . . . . 1.5 112.812 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.538 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.4 mm -56.7 -25.87 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 114.335 -1.302 . . . . 1.07 111.584 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -88.84 -32.64 17.7 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.241 -0.436 . . . . 0.45 111.751 -177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.64 -33.05 23.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.386 0.612 . . . . 1.34 110.631 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -133.87 78.23 60.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.55 -0.907 . . . . 0.52 108.55 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.687 ' O ' HG22 ' A' 2124 ' ' THR . 27.8 Cg_endo -91.56 102.68 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.826 0 C-N-CA 121.507 1.471 . . . . 0.31 112.56 -172.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.687 HG22 ' O ' ' A' 2123 ' ' PRO . 3.2 p 166.77 157.24 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 127.939 2.496 . . . . 1.03 105.055 160.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.49 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.8 Cg_exo -55.67 -39.34 91.64 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 CA-C-N 121.441 1.55 . . . . 0.14 109.986 171.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' A' 2130 ' ' GLN . 50.6 t60 -63.34 -46.88 84.55 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.628 -0.714 . . . . 0.5 111.65 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.61 77.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.998 0.428 . . . . 1.0 111.038 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' 2119 ' ' ILE . 44.4 mt -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.98 111.294 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.485 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 88.7 m -63.09 -25.03 68.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.615 0.721 . . . . 1.08 109.377 176.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.5 mt-30 -80.72 -47.44 13.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 1.66 109.75 176.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.2 t60 -65.47 -54.14 32.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.41 111.585 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.52 -27.69 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.6 0.222 . . . . 1.72 111.6 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2133 ' ' HIS . . . . . 0.407 ' CG ' ' HG2' ' A' 2060 ' ' GLN . 17.4 t-80 -69.57 -42.03 75.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.196 -0.668 . . . . 0.35 109.196 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.6 m -64.76 -30.89 71.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 1.15 111.339 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' 2131 ' ' HIS . 26.2 mmm180 -74.69 -48.58 25.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.173 0.511 . . . . 1.97 110.975 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.49 HD23 ' HB ' ' A' 2110 ' ' THR . 96.9 mt -75.93 -10.77 59.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 113.562 0.949 . . . . 1.61 113.562 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.585 0.707 . . . . 1.11 111.073 178.383 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.486 ' O ' ' HG3' ' A' 2060 ' ' GLN . 20.6 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 114.779 1.03 . . . . 1.09 114.779 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.48 -44.89 89.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.664 0.268 . . . . 2.45 110.98 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -57.55 -42.34 82.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.464 . . . . 2.21 109.853 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.7 mt-30 -56.64 -41.5 77.26 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.32 -0.854 . . . . 1.5 110.738 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.0 mt-30 -57.38 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.691 -0.686 . . . . 1.24 110.69 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.507 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 51.0 mt-30 -53.72 -34.04 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.007 -0.542 . . . . 1.89 111.588 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' 2059 ' ' GLN . 54.3 m -49.53 -53.96 20.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.466 -0.788 . . . . 1.24 111.229 171.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' 2136 ' ' LEU . 14.6 mt -82.29 -23.29 35.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.441 0.639 . . . . 1.88 109.873 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -64.43 -30.36 71.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.6 -1.182 . . . . 1.08 108.55 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 94.0 m -87.04 -39.09 15.95 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 113.541 -1.663 . . . . 1.08 110.619 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.04 26.06 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.488 0.661 . . . . 2.03 109.644 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.41 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.9 t -57.27 -40.47 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 114.762 -1.108 . . . . 1.09 110.791 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.82 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.92 -1.036 . . . . 1.03 111.108 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.479 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.27 -29.6 69.95 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.142 0.496 . . . . 1.09 110.913 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.68 79.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.517 -0.765 . . . . 1.04 110.314 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.804 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.3 t -87.4 -26.1 23.47 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.072 -0.651 . . . . 1.07 110.079 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.552 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -49.57 -45.5 47.79 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.91 -0.774 . . . . 1.07 108.91 166.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 56.3 m -70.62 -50.14 40.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.962 -1.017 . . . . 1.17 110.892 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.633 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.1 -37.25 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 113.554 0.946 . . . . 1.15 113.554 -175.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.1 mt -86.07 -9.22 57.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.191 0.52 . . . . 1.18 110.544 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 80.65 47.19 6.88 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.662 -0.699 . . . . 0.93 113.158 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.552 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.4 p80 -138.44 -4.75 1.63 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.306 0.553 . . . . 1.23 112.025 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.491 ' C ' ' HB3' ' A' 2072 ' ' ALA . 85.2 m-70 68.82 -42.29 0.48 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.256 1.576 . . . . 1.56 115.256 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 8.5 p -76.05 123.9 88.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 113.68 0.992 . . . . 2.1 113.68 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.479 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.73 -16.98 5.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 124.042 3.161 . . . . 0.56 111.247 174.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.93 -18.16 54.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.763 . . . . 1.54 109.981 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.7 t -93.08 21.59 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 1.02 110.012 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.43 HD13 HG23 ' A' 2071 ' ' THR . 12.1 mm -106.8 122.51 60.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.659 -0.701 . . . . 1.03 110.481 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.2 m -92.48 110.41 44.76 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.225 -0.443 . . . . 0.86 110.076 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.505 ' O ' ' HB ' ' A' 2124 ' ' THR . 21.9 Cg_endo -65.75 -27.35 52.23 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 122.536 2.158 . . . . 0.18 112.605 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.79 -30.04 58.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.722 -0.672 . . . . 0.98 111.499 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.453 ' O ' HG21 ' A' 2124 ' ' THR . 30.6 m -74.65 147.07 41.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.17 -0.678 . . . . 1.03 109.17 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' 2124 ' ' THR . . . -81.85 143.76 31.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.169 -0.923 . . . . 1.06 109.534 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.52 ' HB3' HG13 ' A' 2094 ' ' ILE . 29.4 m-85 -48.09 -39.77 21.29 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 123.748 0.655 . . . . 0.16 111.927 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.501 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.3 -65.65 0.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.278 0.561 . . . . 2.13 111.067 173.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -64.57 -12.41 44.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 2.27 111.945 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.15 -13.97 42.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 1.06 111.792 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.8 1.45 11.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.276 -0.964 . . . . 0.22 113.365 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.9 mm -68.85 128.88 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.309 0.576 . . . . 1.1 112.435 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.11 179.58 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.566 -0.902 . . . . 1.86 108.566 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.3 m -62.96 -34.11 76.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.259 0.552 . . . . 1.67 110.408 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.724 ' O ' ' HB3' ' A' 2100 ' ' LEU . 11.7 tp -62.99 -55.25 27.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.574 -0.739 . . . . 2.14 111.115 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.451 HG22 HG13 ' A' 2074 ' ' VAL . 0.6 OUTLIER -72.76 -24.92 61.01 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 112.784 0.661 . . . . 1.07 112.784 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.96 -20.29 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.958 0.885 . . . . 1.06 109.603 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.724 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -86.66 -52.0 5.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.333 -1.303 . . . . 1.73 108.188 176.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.514 ' N ' HD12 ' A' 2100 ' ' LEU . 24.2 mt-10 -58.86 -40.19 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.791 -1.095 . . . . 0.46 112.408 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.03 -54.26 33.11 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-O 120.885 0.374 . . . . 1.76 110.246 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.88 -44.42 29.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.214 -0.903 . . . . 2.66 110.226 172.262 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -59.13 -48.21 82.46 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.504 -0.771 . . . . 0.44 110.913 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.8 m -63.29 -45.94 89.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.639 -0.255 . . . . 1.07 111.298 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.0 -43.49 91.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.467 0.175 . . . . 2.08 110.827 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 79.3 m -63.52 -37.48 87.45 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 121.202 0.525 . . . . 1.15 111.097 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -70.5 -27.53 64.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.418 0.628 . . . . 1.66 111.116 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -86.27 -50.58 6.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.292 -0.867 . . . . 0.45 111.831 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.42 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 40.3 p -77.19 -30.73 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 1.1 110.381 -172.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.72 7.84 83.65 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.258 -0.883 . . . . 0.36 111.801 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.2 OUTLIER -93.13 -159.6 0.69 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.244 0.545 . . . . 1.23 109.738 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.41 117.51 13.44 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.134 -0.939 . . . . 0.43 109.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.79 158.38 62.75 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.28 -1.327 . . . . 1.84 110.702 -173.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.521 ' O ' ' HG3' ' A' 2103 ' ' ARG . 83.6 Cg_endo -79.92 148.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.992 2.461 . . . . 0.39 111.97 174.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.12 -5.29 13.3 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.382 2.055 . . . . 0.52 111.622 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.2 p -93.07 1.45 57.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.956 -0.565 . . . . 1.12 111.667 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2115 ' ' PRO . 15.0 mt -38.93 -65.1 0.39 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.725 0.774 . . . . 1.5 112.214 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.513 HG13 ' HA ' ' A' 2099 ' ' ALA . 9.8 mm -61.12 -18.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.893 -1.503 . . . . 1.07 111.819 -173.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -90.41 -34.96 15.44 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.381 -0.372 . . . . 0.45 111.463 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.45 -37.15 20.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.324 0.583 . . . . 1.34 110.927 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -128.0 71.35 78.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.69 -0.856 . . . . 0.52 108.69 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.789 ' O ' HG23 ' A' 2124 ' ' THR . 9.9 Cg_endo -91.74 102.27 0.22 Allowed 'Trans proline' 0 N--CA 1.436 -1.876 0 C-N-CA 122.057 1.838 . . . . 0.31 111.985 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.789 HG23 ' O ' ' A' 2123 ' ' PRO . 6.7 p 169.63 151.51 0.14 Allowed Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 128.187 2.595 . . . . 1.03 104.38 163.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.486 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 47.0 Cg_exo -55.19 -35.98 92.2 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 CA-C-N 121.425 1.545 . . . . 0.14 110.548 173.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.486 ' O ' ' HG3' ' A' 2130 ' ' GLN . 68.1 t60 -66.32 -45.65 79.59 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.5 111.641 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.26 73.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.031 0.443 . . . . 1.0 111.096 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' 2119 ' ' ILE . 44.5 mt -75.22 -30.68 60.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.224 -0.444 . . . . 0.98 111.29 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.9 m -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.066 -0.716 . . . . 1.08 109.066 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.2 mt-30 -80.21 -52.94 7.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.312 -0.858 . . . . 1.66 110.172 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.7 t60 -64.21 -53.27 51.89 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.264 -0.426 . . . . 0.41 112.112 -174.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.9 -26.14 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.144 -0.222 . . . . 1.72 111.295 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.79 -42.45 73.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.203 -0.666 . . . . 0.35 109.203 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 44.7 m -62.14 -39.48 92.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 1.15 110.773 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' 2131 ' ' HIS . 13.0 mmm180 -65.85 -46.32 78.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.467 -0.333 . . . . 1.97 111.408 -176.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.426 ' CD1' HD21 ' A' 2063 ' ' LEU . 91.7 mt -74.22 -5.2 40.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.322 -0.612 0 CA-C-O 121.034 0.445 . . . . 1.11 111.169 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.682 ' O ' ' HG3' ' A' 2060 ' ' GLN . 42.7 Cg_exo . . . . . 0 N--CA 1.464 -0.239 0 N-CA-C 113.582 0.57 . . . . 1.09 113.582 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2057 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 35.5 tt0 -62.11 -37.9 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.561 0.219 . . . . 2.45 111.26 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2058 ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 12.8 mm-40 -61.98 -45.91 91.57 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.383 0.611 . . . . 2.21 109.473 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.533 ' O ' ' HB ' ' A' 2062 ' ' THR . 93.2 mt-30 -60.29 -37.97 82.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.864 -1.062 . . . . 1.5 110.786 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.1 mt-30 -63.21 -57.96 8.77 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.421 -0.354 . . . . 1.24 110.216 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.518 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 45.8 mt-30 -53.92 -36.97 63.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 1.89 111.375 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' 2059 ' ' GLN . 98.3 m -49.54 -52.32 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 1.24 110.908 172.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.573 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 11.6 mt -79.91 -24.69 40.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.481 -0.782 . . . . 1.88 109.576 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.92 -41.83 82.02 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.466 -1.243 . . . . 1.08 109.387 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 53.7 m -79.04 -35.12 43.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.507 -1.224 . . . . 1.08 110.688 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 16.5 tp -58.78 -62.13 2.1 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.4 0.619 . . . . 2.03 110.808 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.48 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 51.9 t -51.6 -43.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.393 -1.276 . . . . 1.09 110.993 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.416 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.57 71.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.126 -0.943 . . . . 1.03 111.396 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.427 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.4 -32.7 71.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.094 0.473 . . . . 1.09 110.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.1 88.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.561 -0.745 . . . . 1.04 110.452 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.749 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.4 t -87.52 -20.42 26.53 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.135 -0.626 . . . . 1.07 110.194 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -55.05 -43.26 73.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.371 -0.603 . . . . 1.07 109.371 169.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.4 m -71.33 -49.26 44.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.09 -0.959 . . . . 1.17 110.425 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.667 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -60.0 -37.79 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 1.15 113.195 -174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.0 mt -84.42 -41.6 16.5 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.808 -0.557 . . . . 1.18 111.127 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 122.13 61.14 0.21 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.357 -0.925 . . . . 0.93 113.428 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.503 ' NE2' ' HB2' ' A' 2075 ' ' LEU . 0.2 OUTLIER -152.75 -26.5 0.16 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.808 0.304 . . . . 1.23 111.79 175.613 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 48.1 m-70 68.89 -6.48 0.87 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.831 0.678 . . . . 1.56 112.831 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.487 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.3 p -91.8 120.81 67.87 Favored Pre-proline 0 N--CA 1.452 -0.37 0 N-CA-C 112.834 0.679 . . . . 2.1 112.834 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.2 Cg_exo -84.83 -16.59 5.3 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 124.338 3.359 . . . . 0.56 110.887 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.54 -17.94 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.54 110.248 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 13.0 t -98.1 22.13 9.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 1.02 110.458 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.454 HD12 HG21 ' A' 2071 ' ' THR . 13.1 mm -107.22 115.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.555 . . . . 1.03 110.501 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.6 m -84.85 110.81 30.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.485 -0.325 . . . . 0.86 110.402 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.488 ' O ' ' HB ' ' A' 2124 ' ' THR . 24.8 Cg_endo -66.26 -27.08 48.54 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.704 2.269 . . . . 0.18 112.825 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.44 59.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.72 -0.673 . . . . 0.98 111.742 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.474 ' HB ' HD23 ' A' 2092 ' ' LEU . 36.0 m -78.65 148.08 33.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.378 -0.601 . . . . 1.03 109.378 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.01 141.08 36.26 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.144 -0.935 . . . . 1.06 109.603 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.529 ' HB3' HG13 ' A' 2094 ' ' ILE . 36.4 m-85 -45.53 -39.36 7.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.909 -1.041 . . . . 0.16 112.544 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.54 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.14 -64.79 0.7 Allowed 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.558 0.536 . . . . 2.13 110.603 175.276 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.6 -7.19 18.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.988 -1.006 . . . . 2.27 111.897 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.474 HD23 ' HB ' ' A' 2087 ' ' THR . 96.0 mt -89.86 -15.39 32.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 1.06 111.431 175.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.66 0.61 11.01 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.297 -0.954 . . . . 0.22 113.426 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.529 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -67.54 130.7 33.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.545 0.572 . . . . 1.1 112.545 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -103.52 178.65 4.5 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.706 -0.85 . . . . 1.86 108.706 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 31.0 m -65.93 -30.34 70.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.232 0.469 . . . . 1.67 111.18 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.64 -53.36 16.13 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.323 0.583 . . . . 2.14 110.098 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.8 OUTLIER -70.53 -25.9 63.32 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.6 -0.727 . . . . 1.07 112.809 -178.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.489 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.23 -24.31 63.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.962 0.887 . . . . 1.06 109.543 169.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.634 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.05 -38.37 13.63 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.697 -1.138 . . . . 1.73 109.162 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' 2104 ' ' ASN . 26.0 mt-10 -65.9 -34.86 79.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.264 -0.425 . . . . 0.46 111.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' 2071 ' ' THR . 8.8 mt -56.41 -65.33 0.63 Allowed 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 116.315 -0.402 . . . . 1.76 111.284 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.5 OUTLIER -52.58 -33.27 45.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.871 . . . . 2.66 110.974 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.1 m-20 -55.73 -51.56 66.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.44 110.447 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -69.71 -42.4 74.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 1.07 110.88 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.3 mp -62.11 -55.02 33.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 2.08 111.75 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.6 t -65.73 -27.54 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.235 0.541 . . . . 1.15 110.132 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.13 -46.88 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 1.66 110.588 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.45 -39.58 74.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.018 -0.992 . . . . 0.45 112.417 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.511 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 40.5 p -80.46 -25.51 38.85 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.415 0.626 . . . . 1.1 109.848 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.31 1.31 90.38 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.016 -0.993 . . . . 0.36 111.186 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.511 ' CD1' ' HB ' ' A' 2110 ' ' THR . 10.5 mt -80.82 -170.2 2.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.595 -0.802 . . . . 1.23 110.478 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.53 123.01 27.1 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.607 -1.179 . . . . 0.43 108.753 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 56.8 mt -138.17 148.89 61.65 Favored Pre-proline 0 C--N 1.312 -1.053 0 CA-C-N 115.14 -0.936 . . . . 1.84 111.856 -168.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.424 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.2 Cg_endo -79.61 159.3 25.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.387 2.724 . . . . 0.39 111.897 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.49 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.8 Cg_endo -76.97 1.57 8.51 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.272 1.981 . . . . 0.52 111.236 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 15.5 p -98.69 2.15 46.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.703 -0.681 . . . . 1.12 111.572 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 2115 ' ' PRO . 18.5 mt -41.15 -62.43 0.84 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.352 0.596 . . . . 1.5 112.333 174.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.489 HG13 ' HA ' ' A' 2099 ' ' ALA . 10.0 mm -55.28 -25.72 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.212 -1.358 . . . . 1.07 111.473 -175.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.96 -31.34 17.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.09 -0.504 . . . . 0.45 111.663 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 -34.68 21.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.077 0.465 . . . . 1.34 111.013 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.99 77.9 61.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.14 -1.059 . . . . 0.52 108.14 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG21 ' A' 2124 ' ' THR . 29.7 Cg_endo -91.75 103.71 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.77 0 C-N-CA 121.801 1.668 . . . . 0.31 112.902 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.724 HG21 ' O ' ' A' 2123 ' ' PRO . 4.0 p 167.79 157.27 0.14 Allowed Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 127.783 2.433 . . . . 1.03 105.296 159.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.487 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.4 Cg_exo -55.36 -36.76 94.5 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 CA-C-N 121.45 1.554 . . . . 0.14 110.379 171.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.6 t60 -69.5 -45.44 68.91 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.5 111.788 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.4 69.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.01 0.434 . . . . 1.0 110.921 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.11 -33.67 63.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.368 -0.378 . . . . 0.98 111.453 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 60.7 m -56.81 -29.44 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.11 -0.7 . . . . 1.08 109.11 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.5 mt-30 -80.16 -48.78 12.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.253 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.1 t60 -61.54 -53.31 57.97 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.346 -0.388 . . . . 0.41 111.535 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -57.14 -39.05 74.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.517 0.199 . . . . 1.72 111.073 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.68 -35.9 82.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.627 -0.509 . . . . 0.35 109.627 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 27.8 m -70.15 -40.34 74.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.542 -0.754 . . . . 1.15 110.688 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2131 ' ' HIS . 15.4 mmm180 -63.45 -33.86 76.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.211 0.529 . . . . 1.97 110.609 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.41 HD23 HD21 ' A' 2112 ' ' LEU . 67.0 mt -81.01 -25.65 37.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.523 -0.762 . . . . 1.61 112.026 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 1.11 111.86 -175.359 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.53 ' O ' ' HG3' ' A' 2060 ' ' GLN . 14.2 Cg_exo . . . . . 0 CA--C 1.534 0.509 0 N-CA-C 115.231 1.204 . . . . 1.09 115.231 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2057 ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 30.4 tt0 -67.17 -38.83 86.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.051 0.453 . . . . 2.45 110.707 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -63.38 -40.55 97.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.207 -0.664 . . . . 2.21 109.207 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.615 ' O ' ' HB ' ' A' 2062 ' ' THR . 94.2 mt-30 -57.03 -42.01 79.63 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.253 -0.885 . . . . 1.5 110.699 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.582 ' O ' ' HG ' ' A' 2063 ' ' LEU . 41.9 mt-30 -58.95 -58.26 9.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 116.207 -0.451 . . . . 1.24 109.953 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.495 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 76.9 mt-30 -56.57 -34.07 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 1.89 111.369 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' 2059 ' ' GLN . 53.4 m -53.67 -55.61 24.48 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.478 -0.783 . . . . 1.24 111.547 171.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -81.12 -18.9 44.85 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.925 0.869 . . . . 1.88 109.463 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -65.48 -47.5 75.87 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.105 -1.407 . . . . 1.08 108.289 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.3 m -58.73 -39.82 82.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 113.835 -1.529 . . . . 1.08 110.224 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -60.05 4.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.828 -0.804 . . . . 2.03 108.828 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' 2063 ' ' LEU . 63.6 t -52.63 -45.09 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -0.999 . . . . 1.09 111.342 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.73 69.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.436 -0.802 . . . . 1.03 111.494 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -64.71 -27.0 68.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 1.09 110.569 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.0 71.14 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.423 -0.808 . . . . 1.04 110.19 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.831 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.7 t -84.2 -25.76 29.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.718 -0.793 . . . . 1.07 109.721 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -48.27 -48.0 35.91 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.021 -0.733 . . . . 1.07 109.021 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 93.0 m -72.41 -46.61 54.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.367 -0.833 . . . . 1.17 111.48 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.81 -40.57 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 112.998 0.74 . . . . 1.15 112.998 -177.39 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' A' 2071 ' ' THR . 12.0 mt -76.68 -36.18 57.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.253 0.549 . . . . 1.18 109.947 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 112.05 32.28 2.45 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.634 -0.793 . . . . 0.93 113.069 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' 2072 ' ' ALA . 29.7 p80 -122.04 -2.72 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.107 0.48 . . . . 1.23 111.505 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2078 ' ' HIS . . . . . 0.415 ' C ' ' HB3' ' A' 2072 ' ' ALA . 64.8 m-70 70.41 -57.18 0.58 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.706 1.372 . . . . 1.56 114.706 168.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 2.7 t -87.82 145.04 35.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 119.363 -0.935 . . . . 2.1 111.817 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.38 -0.93 10.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.217 3.945 . . . . 0.56 111.839 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.19 -0.8 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 1.54 111.081 -176.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.5 t -118.87 15.23 13.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.429 -0.805 . . . . 1.02 110.078 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.443 HD13 HG22 ' A' 2071 ' ' THR . 24.8 mm -98.73 112.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 1.03 110.8 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -88.79 111.71 46.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.86 110.024 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.502 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 17.9 Cg_endo -64.27 -28.01 63.91 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.756 2.304 . . . . 0.18 112.67 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.63 -30.38 59.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.612 -0.722 . . . . 0.98 111.391 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.454 ' O ' HG21 ' A' 2124 ' ' THR . 39.6 m -76.5 147.87 37.53 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.402 0.62 . . . . 1.03 109.44 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -80.81 142.09 34.05 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.166 -0.924 . . . . 1.06 109.502 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.0 m-85 -47.83 -36.64 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.272 -0.876 . . . . 0.16 111.909 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.528 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.93 -65.95 0.48 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.978 -0.555 . . . . 2.13 110.846 174.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.03 -29.59 65.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 2.27 111.273 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' 2089 ' ' PHE . 84.6 mt -71.73 -15.99 62.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 1.06 111.969 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.98 1.46 10.52 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.251 -0.976 . . . . 0.22 113.741 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -66.34 130.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.419 0.628 . . . . 1.1 112.544 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 28.5 t70 -108.17 169.67 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.847 -1.07 . . . . 1.86 108.422 173.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 51.0 m -56.62 -32.76 65.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.904 0.774 . . . . 1.67 111.392 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.577 ' O ' ' HG3' ' A' 2101 ' ' GLU . 47.0 mt -69.08 -54.66 13.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.117 0.484 . . . . 2.14 109.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.449 HG21 HG12 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.33 -25.62 64.29 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.879 0.696 . . . . 1.07 112.879 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.95 -23.33 65.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.807 0.813 . . . . 1.06 109.363 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.89 -39.05 13.28 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.865 -1.061 . . . . 1.73 108.886 178.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.0 mt-10 -69.08 -34.87 75.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.46 111.367 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' 2106 ' ' LEU . 13.4 tp -64.33 -56.29 15.44 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 116.206 -0.452 . . . . 1.76 111.032 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' 2100 ' ' LEU . 1.4 ppt_? -56.59 -28.02 59.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.67 -0.695 . . . . 2.66 110.332 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' 2101 ' ' GLU . 51.1 m-20 -64.35 -48.68 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.792 0.329 . . . . 0.44 110.336 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.8 m -61.62 -41.78 97.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 1.07 110.58 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' 2102 ' ' LEU . 7.4 mp -60.55 -50.97 71.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.784 -0.644 . . . . 2.08 110.852 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.403 HG21 ' O ' ' A' 2112 ' ' LEU . 84.7 m -57.07 -41.39 78.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.255 0.55 . . . . 1.15 110.87 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.2 t60 -59.77 -49.84 76.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.398 -0.819 . . . . 1.66 110.918 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -71.89 -44.78 63.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.455 -0.793 . . . . 0.45 113.037 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.445 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 65.5 p -80.73 -26.73 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.163 0.506 . . . . 1.1 110.681 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.89 2.5 90.66 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.822 -0.704 . . . . 0.36 112.233 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.2 OUTLIER -90.25 -159.46 0.61 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.733 0.778 . . . . 1.23 110.45 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -131.15 123.83 29.38 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.029 -1.441 . . . . 0.43 109.084 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 54.0 mt -135.42 147.83 63.54 Favored Pre-proline 0 C--N 1.311 -1.081 0 CA-C-N 115.032 -0.986 . . . . 1.84 110.7 -171.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.87 157.74 20.98 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.501 2.801 . . . . 0.39 112.312 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.479 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -77.74 0.54 9.72 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.352 2.035 . . . . 0.52 111.382 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 11.0 p -101.52 1.84 38.46 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.457 -0.792 . . . . 1.12 110.944 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 14.5 tp -44.66 -57.39 3.7 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.669 0.788 . . . . 1.5 112.645 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.478 HG23 HG21 ' A' 2094 ' ' ILE . 20.6 mm -59.27 -23.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.248 -0.887 . . . . 1.07 111.478 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -90.2 -30.01 17.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.02 0.438 . . . . 0.45 111.35 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -77.89 -34.73 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.794 -0.639 . . . . 1.34 110.496 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.21 80.35 28.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.382 -0.826 . . . . 0.52 109.216 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.683 ' O ' HG23 ' A' 2124 ' ' THR . 18.8 Cg_endo -91.63 102.03 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.047 0 C-N-CA 121.844 1.696 . . . . 0.31 111.967 -174.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.683 HG23 ' O ' ' A' 2123 ' ' PRO . 2.6 p 167.24 152.79 0.1 Allowed Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 127.974 2.51 . . . . 1.03 104.713 161.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.502 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -55.6 -36.89 95.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 CA-C-N 121.391 1.532 . . . . 0.14 110.453 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 74.2 t60 -68.3 -43.78 76.91 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.5 111.84 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.3 -41.4 75.89 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.094 0.474 . . . . 1.0 110.741 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' 2132 ' ' LEU . 38.2 mt -73.14 -29.54 62.95 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.125 -0.489 . . . . 0.98 111.486 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.455 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 60.5 m -61.99 -27.54 68.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.538 0.685 . . . . 1.08 109.254 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -80.82 -47.83 13.3 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.354 -0.839 . . . . 1.66 110.198 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' 2135 ' ' ARG . 84.9 t60 -67.51 -50.85 56.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.339 -0.391 . . . . 0.41 111.804 -176.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.8 mm? -62.75 -29.81 70.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.647 0.24 . . . . 1.72 111.647 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -67.67 -37.91 83.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.864 -0.791 . . . . 0.35 108.864 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 61.3 m -68.27 -36.09 78.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.267 -0.878 . . . . 1.15 111.125 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.1 mmm180 -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 1.97 111.118 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.404 HD21 HD22 ' A' 2112 ' ' LEU . 97.4 mt -73.26 -14.76 61.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.481 0.919 . . . . 1.61 113.481 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 1.11 111.373 -177.694 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 2056 ' ' PRO . . . . . 0.678 ' O ' ' HG3' ' A' 2060 ' ' GLN . 68.5 Cg_exo . . . . . 0 N--CA 1.462 -0.34 0 N-CA-C 113.568 0.565 . . . . 1.09 113.568 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.93 -37.68 88.29 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.129 0.268 . . . . 2.45 111.462 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -57.9 -51.34 70.01 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.474 0.654 . . . . 2.21 109.617 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.552 ' O ' ' HB ' ' A' 2062 ' ' THR . 5.4 mm-40 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.534 -1.212 . . . . 1.5 111.246 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2060 ' ' GLN . . . . . 0.678 ' HG3' ' O ' ' A' 2056 ' ' PRO . 17.9 mt-30 -56.36 -60.03 4.1 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.995 -0.548 . . . . 1.24 110.355 177.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.491 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 79.9 mt-30 -54.41 -35.04 62.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.795 0.331 . . . . 1.89 111.827 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' 2059 ' ' GLN . 95.8 m -53.9 -55.29 28.23 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.839 -0.618 . . . . 1.24 111.025 171.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.64 -20.06 43.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.699 0.762 . . . . 1.88 109.73 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2064 ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.42 -46.9 68.65 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.279 -1.328 . . . . 1.08 108.613 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.2 m -66.85 -36.74 83.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.982 -1.463 . . . . 1.08 110.305 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -57.64 11.97 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.099 -0.704 . . . . 2.03 109.099 177.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 2063 ' ' LEU . 55.2 t -54.03 -47.82 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.15 -0.932 . . . . 1.09 110.972 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.03 -51.79 68.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.164 -0.926 . . . . 1.03 111.855 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.506 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -33.58 74.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 1.09 111.115 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.36 81.06 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.82 -0.627 . . . . 1.04 109.984 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.741 ' O ' ' HG ' ' A' 2075 ' ' LEU . 10.0 t -85.28 -23.44 28.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 120.068 -0.653 . . . . 1.07 110.573 -174.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.643 ' O ' ' HB3' ' A' 2077 ' ' HIS . . . -56.58 -39.95 74.4 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.677 -0.49 . . . . 1.07 109.677 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.2 m -70.08 -41.86 73.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.545 0.688 . . . . 1.17 110.234 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.694 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -66.39 -38.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.261 -0.881 . . . . 1.15 113.201 -175.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' 2071 ' ' THR . 24.4 mt -80.01 -11.44 59.78 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.916 0.339 . . . . 1.18 111.916 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.88 74.35 0.8 Allowed Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.283 -1.927 . . . . 0.93 108.283 -168.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2077 ' ' HIS . . . . . 0.643 ' HB3' ' O ' ' A' 2072 ' ' ALA . 55.3 t-80 -159.28 -47.39 0.05 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.162 0.506 . . . . 1.23 111.129 -153.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 60.0 m-70 70.28 -49.59 0.65 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.018 1.118 . . . . 1.56 114.018 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' 2072 ' ' ALA . 15.3 p -75.22 125.06 89.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 C-N-CA 120.165 -0.614 . . . . 2.1 112.568 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.506 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -83.26 -22.99 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.73 2.953 . . . . 0.56 110.726 173.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.07 -20.64 60.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.928 -1.033 . . . . 1.54 110.729 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.7 t -102.65 21.98 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.785 0.803 . . . . 1.02 109.883 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.35 106.43 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.235 -0.893 . . . . 1.03 109.763 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 68.2 m -75.28 113.03 21.55 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 120.692 0.282 . . . . 0.86 110.588 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.485 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 22.4 Cg_endo -67.86 -26.11 38.46 Favored 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.584 2.189 . . . . 0.18 112.631 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.16 59.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.599 -0.728 . . . . 0.98 111.472 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.465 ' O ' HG22 ' A' 2124 ' ' THR . 28.6 m -76.87 147.52 37.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.061 -0.718 . . . . 1.03 109.061 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.14 143.35 28.88 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.444 -0.798 . . . . 1.06 110.102 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.492 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.4 m-85 -43.01 -41.15 3.32 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 124.065 0.853 . . . . 0.16 111.786 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.49 -64.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 2.13 111.433 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.589 -0.732 . . . . 2.27 112.153 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.31 -16.69 39.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.399 . . . . 1.06 111.853 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.63 9.71 7.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.206 -0.997 . . . . 0.22 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.494 ' CD1' HG11 ' A' 2074 ' ' VAL . 0.3 OUTLIER -69.29 126.54 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.448 0.642 . . . . 1.1 112.059 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -95.9 165.92 12.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.973 -1.121 . . . . 1.86 107.973 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.1 t -63.69 -30.5 71.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.897 0.772 . . . . 1.67 110.549 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' 2101 ' ' GLU . 53.3 mt -68.61 -51.12 45.79 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.567 0.699 . . . . 2.14 109.757 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.55 ' CG2' HG23 ' A' 2074 ' ' VAL . 0.6 OUTLIER -70.31 -25.87 63.51 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 1.07 112.411 178.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.51 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.66 -23.1 64.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.886 0.85 . . . . 1.06 109.311 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.616 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.13 -37.99 13.83 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.781 -1.099 . . . . 1.73 108.976 178.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' 2104 ' ' ASN . 28.3 mt-10 -67.03 -35.48 79.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.46 111.089 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' 2106 ' ' LEU . 5.1 tp -58.94 -59.47 5.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.14 0.495 . . . . 1.76 111.201 176.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -53.93 -34.68 60.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.101 -0.954 . . . . 2.66 110.345 177.198 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.558 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -56.03 -50.88 69.68 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.34 -0.391 . . . . 0.44 110.759 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.0 m -69.85 -41.84 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.396 -0.366 . . . . 1.07 111.198 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 2102 ' ' LEU . 78.1 mt -64.97 -49.06 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 2.08 111.278 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.78 -27.79 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.163 0.506 . . . . 1.15 110.241 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.4 t60 -71.17 -48.29 52.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.343 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.38 -43.56 77.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.069 -0.969 . . . . 0.45 112.332 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.439 ' HB ' HD23 ' A' 2136 ' ' LEU . 62.5 p -76.27 -23.69 54.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.516 0.674 . . . . 1.1 109.243 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.4 5.54 89.47 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.91 -1.041 . . . . 0.36 112.315 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.2 OUTLIER -95.83 -159.63 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.468 0.651 . . . . 1.23 110.018 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -133.51 123.41 25.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.782 -1.099 . . . . 0.43 109.526 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' 2118 ' ' LEU . 66.0 mt -132.22 151.02 77.61 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 114.968 -1.015 . . . . 1.84 111.368 -169.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -78.85 156.0 27.0 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.957 2.438 . . . . 0.39 111.68 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.504 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.6 Cg_endo -76.68 2.95 6.89 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.167 1.911 . . . . 0.52 111.582 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 14.4 p -99.49 -2.15 36.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.6 -0.727 . . . . 1.12 112.023 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' 2114 ' ' LEU . 20.3 mt -38.38 -62.81 0.55 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.61 0.719 . . . . 1.5 112.482 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.51 HG13 ' HA ' ' A' 2099 ' ' ALA . 6.8 mm -57.32 -25.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 113.847 -1.524 . . . . 1.07 111.769 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -86.13 -36.86 19.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.219 -0.446 . . . . 0.45 111.113 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.59 -32.3 41.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.862 -0.608 . . . . 1.34 111.404 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -137.3 77.2 42.1 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.845 -0.798 . . . . 0.52 108.845 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.685 ' O ' HG21 ' A' 2124 ' ' THR . 17.8 Cg_endo -92.08 102.29 0.2 Allowed 'Trans proline' 0 N--CA 1.435 -1.964 0 C-N-CA 121.778 1.652 . . . . 0.31 112.193 -173.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.685 HG21 ' O ' ' A' 2123 ' ' PRO . 1.7 p 168.11 152.66 0.12 Allowed Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 127.74 2.416 . . . . 1.03 105.344 163.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.485 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 53.2 Cg_exo -55.07 -36.3 92.5 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 CA-C-N 121.183 1.458 . . . . 0.14 110.185 171.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.537 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.0 t60 -68.62 -44.98 73.11 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.5 112.056 178.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.58 -39.75 71.1 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.344 0.52 . . . . 1.0 110.597 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.402 ' HB3' HD21 ' A' 2132 ' ' LEU . 38.4 mt -74.79 -28.93 60.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.98 111.561 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.508 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 30.0 m -60.05 -30.58 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.919 0.866 . . . . 1.08 109.004 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' 2126 ' ' HIS . 3.5 mt-30 -80.51 -49.01 11.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.842 -1.072 . . . . 1.66 110.16 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 83.2 t60 -64.54 -51.54 62.33 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.263 -0.426 . . . . 0.41 111.545 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' 2128 ' ' LEU . 2.0 mm? -63.43 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.032 -0.267 . . . . 1.72 111.522 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -68.97 -36.8 78.3 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.209 -0.663 . . . . 0.35 109.209 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.6 m -66.37 -50.08 64.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.581 -0.736 . . . . 1.15 110.048 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.502 ' HB3' HD13 ' A' 2112 ' ' LEU . 21.2 mmm180 -54.77 -49.52 70.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 1.97 112.138 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2136 ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' 2112 ' ' LEU . 94.9 mt -62.52 -36.04 81.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.32 0.489 . . . . 1.61 112.32 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.441 -0.897 0 CA-C-N 116.322 -0.399 . . . . 1.11 111.735 -172.368 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.791 -0.523 . . . . 6.46 111.791 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 17.7 m -102.16 33.4 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.286 0.565 . . . . 6.57 110.683 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.418 ' C ' ' H ' ' A' 2050 ' ' ARG . 36.0 m80 -142.84 158.16 43.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.378 0.609 . . . . 3.86 111.005 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.644 ' C ' ' H ' ' A' 2051 ' ' LEU . 20.2 ttt -81.78 37.95 0.49 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.568 -1.197 . . . . 2.18 110.999 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.548 ' C ' ' H ' ' A' 2052 ' ' ASN . 40.1 mmt180 -39.44 10.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.848 2.059 . . . . 9.83 116.327 174.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.644 ' H ' ' C ' ' A' 2049 ' ' MET . 29.0 tp -37.9 14.09 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 127.94 2.496 . . . . 2.8 116.661 174.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.679 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 71.0 m-20 -65.46 157.08 30.44 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.683 -1.261 . . . . 4.72 110.402 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.87 -31.0 7.6 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.921 -0.872 . . . . 2.06 110.921 -173.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.93 148.32 25.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.211 -0.663 . . . . 2.14 109.211 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 33.0 m -59.92 150.2 70.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.335 -0.393 . . . . 1.69 110.066 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.677 ' O ' ' HG3' ' A' 2060 ' ' GLN . 47.1 Cg_exo -40.99 -55.45 2.07 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.627 2.885 . . . . 1.09 113.881 -176.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.11 -39.94 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.062 0.226 . . . . 2.45 111.347 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -55.2 -45.65 75.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.235 0.54 . . . . 2.21 109.821 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.679 ' NE2' ' HA ' ' A' 2052 ' ' ASN . 95.2 mt-30 -63.73 -45.85 88.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.316 -0.857 . . . . 1.5 110.947 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.677 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.4 mt-30 -56.92 -60.61 3.32 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.392 -0.367 . . . . 1.24 110.629 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.505 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.8 mt-30 -52.95 -35.43 58.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.975 0.416 . . . . 1.89 111.794 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' 2059 ' ' GLN . 99.3 m -56.25 -54.13 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 1.24 111.353 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -81.44 -18.01 46.81 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.836 0.827 . . . . 1.88 109.74 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.68 -49.08 64.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.071 -1.422 . . . . 1.08 108.417 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 95.3 m -61.01 -37.63 83.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.98 -1.464 . . . . 1.08 110.296 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' 2109 ' ' ASN . 0.0 OUTLIER -58.52 -58.25 9.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.831 -0.803 . . . . 2.03 108.831 176.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' 2063 ' ' LEU . 52.6 t -53.13 -44.68 52.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.294 -0.866 . . . . 1.09 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.22 -53.36 50.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 1.03 111.595 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.444 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.69 -28.94 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 1.09 110.774 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.81 82.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.641 -0.708 . . . . 1.04 110.402 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.814 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.62 -26.97 24.12 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.934 -0.706 . . . . 1.07 109.991 -176.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.557 ' HB3' ' C ' ' A' 2078 ' ' HIS . . . -49.54 -47.95 48.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.873 -0.788 . . . . 1.07 108.873 167.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 1.17 111.402 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.65 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.5 -40.56 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 112.647 0.61 . . . . 1.15 112.647 -177.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.814 ' HG ' ' O ' ' A' 2071 ' ' THR . 10.3 mt -80.07 -37.29 34.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 1.18 109.773 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.39 12.01 16.29 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.799 -0.715 . . . . 0.93 113.159 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 13.4 p80 -100.17 -7.31 24.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.228 0.514 . . . . 1.23 111.321 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.557 ' C ' ' HB3' ' A' 2072 ' ' ALA . 95.1 m-70 70.86 -31.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.126 1.528 . . . . 1.56 115.126 166.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.8 p -81.38 126.08 77.32 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 118.966 0.803 . . . . 2.1 113.016 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.444 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -85.22 -13.24 6.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.631 2.887 . . . . 0.56 111.205 173.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.19 -18.73 38.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 1.54 110.538 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 18.6 t -92.81 21.61 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.697 . . . . 1.02 110.086 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.439 HG13 ' HB1' ' A' 2068 ' ' ALA . 9.7 mm -105.77 108.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.486 -0.779 . . . . 1.03 110.275 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 48.5 m -86.03 115.57 62.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.346 -0.388 . . . . 0.86 110.678 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.82 -28.12 51.28 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 C-N-CA 122.797 2.331 . . . . 0.18 112.929 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.54 -23.32 40.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.731 -0.668 . . . . 0.98 110.877 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.451 ' O ' HG23 ' A' 2124 ' ' THR . 39.0 m -80.26 146.83 31.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.934 -0.765 . . . . 1.03 108.934 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.55 145.54 27.33 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 1.06 109.596 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.535 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.1 m-85 -50.8 -35.28 31.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.58 -0.736 . . . . 0.16 111.904 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.1 -64.66 0.73 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.091 0.472 . . . . 2.13 110.575 171.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -60.06 -24.36 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.271 -0.877 . . . . 2.27 111.325 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' 2075 ' ' LEU . 88.2 mt -80.52 -12.64 59.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.995 -0.548 . . . . 1.06 112.085 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.6 2.65 14.76 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.247 -0.978 . . . . 0.22 114.3 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.7 mm -64.68 130.72 30.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.203 0.816 . . . . 1.1 113.203 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -103.69 171.57 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.918 -1.037 . . . . 1.86 108.629 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 34.5 p -57.86 -41.69 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.451 0.569 . . . . 1.67 111.092 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' 2101 ' ' GLU . 14.1 tp -60.86 -55.68 30.17 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.954 -0.566 . . . . 2.14 110.59 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.435 HG22 ' OE1' ' A' 2101 ' ' GLU . 0.2 OUTLIER -68.1 -25.78 65.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 113.164 0.802 . . . . 1.07 113.164 -178.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.492 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.46 -24.28 65.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.894 0.854 . . . . 1.06 109.308 170.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -39.16 12.41 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.942 -1.026 . . . . 1.73 109.175 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.8 mt-10 -66.27 -34.92 79.09 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.808 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.82 -52.38 51.12 Favored 'General case' 0 N--CA 1.418 -2.05 0 CA-C-O 121.472 0.653 . . . . 1.76 109.628 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -48.56 -41.32 30.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 2.66 110.755 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.9 m-20 -58.63 -49.51 77.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.44 110.793 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 39.7 m -65.75 -48.17 72.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.423 -0.353 . . . . 1.07 111.561 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' 2106 ' ' LEU . 2.0 mm? -59.82 -49.97 75.64 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 111.933 0.346 . . . . 2.08 111.933 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -28.44 69.86 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.18 0.515 . . . . 1.15 110.329 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.5 t60 -73.54 -48.45 32.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.521 -0.763 . . . . 1.66 110.535 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.425 ' HB3' HD12 ' A' 2066 ' ' LEU . 9.6 m-80 -67.51 -44.61 78.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.119 -0.946 . . . . 0.45 112.402 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.541 ' HA ' ' HB2' ' A' 2049 ' ' MET . 58.6 p -74.01 -25.49 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.772 0.796 . . . . 1.1 109.377 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.24 5.05 87.7 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.039 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -96.44 -160.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.406 0.622 . . . . 1.23 110.157 -178.15 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -135.19 120.41 18.91 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.109 -0.951 . . . . 0.43 109.694 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 71.4 mt -129.4 157.4 76.38 Favored Pre-proline 0 C--N 1.306 -1.312 0 CA-C-N 114.502 -1.226 . . . . 1.84 110.886 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.592 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.1 Cg_endo -80.68 149.95 18.66 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 123.017 2.478 . . . . 0.39 111.972 176.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.88 5.05 2.73 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.251 1.967 . . . . 0.52 111.598 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 21.1 p -101.42 0.38 36.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 1.12 111.646 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 2115 ' ' PRO . 56.1 mt -38.02 -62.86 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.734 0.778 . . . . 1.5 112.094 173.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.494 ' O ' ' HB3' ' A' 2123 ' ' PRO . 7.9 mm -60.05 -21.95 23.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 113.826 -1.533 . . . . 1.07 111.748 -174.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -90.73 -34.66 15.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.383 -0.371 . . . . 0.45 111.778 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.73 -32.72 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 1.34 111.333 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -129.5 71.04 82.13 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 108.583 -0.895 . . . . 0.52 108.583 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.628 ' O ' HG22 ' A' 2124 ' ' THR . 28.5 Cg_endo -91.9 102.89 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.045 0 C-N-CA 121.878 1.719 . . . . 0.31 112.438 -171.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.628 HG22 ' O ' ' A' 2123 ' ' PRO . 1.5 p 167.2 155.54 0.12 Allowed Pre-proline 0 C--N 1.321 -0.638 0 C-N-CA 127.546 2.339 . . . . 1.03 105.359 161.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 44.0 Cg_exo -55.18 -39.55 90.39 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 121.276 1.492 . . . . 0.14 109.999 172.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' 2130 ' ' GLN . 60.0 t60 -62.04 -48.65 79.29 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.029 -0.532 . . . . 0.5 111.58 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -54.63 -41.36 69.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.144 0.497 . . . . 1.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' 2089 ' ' PHE . 52.3 mt -76.9 -32.85 57.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.157 -0.474 . . . . 0.98 111.731 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 89.4 m -58.18 -31.96 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.954 0.883 . . . . 1.08 108.936 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.7 mm100 -80.38 -42.94 21.92 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.785 -1.098 . . . . 1.66 111.058 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -63.59 -52.76 59.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.412 0.153 . . . . 0.41 111.412 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.18 -34.76 78.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.744 -0.207 . . . . 1.72 111.518 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -66.69 -37.05 83.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.342 -0.614 . . . . 0.35 109.342 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.4 m -63.41 -52.34 61.96 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.775 -0.648 . . . . 1.15 110.25 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.45 ' HB3' HD12 ' A' 2112 ' ' LEU . 10.7 mmm180 -51.71 -48.56 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.841 0.682 . . . . 1.97 112.841 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' 2049 ' ' MET . 95.3 mt -70.35 -31.95 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.37 0.507 . . . . 1.61 112.37 -175.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.0 p -86.07 -28.95 23.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.051 0.453 . . . . 1.11 110.985 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -85.35 107.87 17.56 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 2.43 109.512 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 40.5 t -129.21 41.24 3.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.514 0.673 . . . . 3.29 110.563 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 12.0 t-80 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.351 -0.833 . . . . 7.72 109.742 179.426 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.951 0 N-CA-C 112.159 -0.377 . . . . 6.46 112.159 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 50.8 m 69.38 -62.21 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.295 0.638 . . . . 6.57 111.492 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.64 179.83 3.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.719 -0.475 . . . . 3.86 109.719 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.6 ' C ' ' H ' ' A' 2051 ' ' LEU . 6.2 ttt -85.59 37.35 0.69 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.468 -0.787 . . . . 2.18 111.14 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -35.87 9.95 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 117.81 2.522 . . . . 9.83 117.81 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' 2051 ' ' LEU . 26.0 tp -39.92 41.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 127.822 2.449 . . . . 2.8 116.637 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -79.08 152.58 30.76 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.763 -1.211 . . . . 4.72 109.788 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 108.76 -30.26 8.95 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.661 -0.78 . . . . 2.06 112.298 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -85.01 145.37 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.913 -0.403 . . . . 2.14 109.913 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 45.3 m -64.37 149.08 95.41 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.969 -0.56 . . . . 1.69 110.255 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.667 ' O ' ' HG3' ' A' 2060 ' ' GLN . 48.0 Cg_exo -38.04 -52.67 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 124.005 3.136 . . . . 1.09 113.529 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 59.8 tt0 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.556 0.206 . . . . 2.45 111.556 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -61.0 -42.7 98.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.325 0.583 . . . . 2.21 109.554 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.518 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.2 mt-30 -63.39 -39.07 93.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.25 -0.886 . . . . 1.5 110.67 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' A' 2056 ' ' PRO . 48.3 mt-30 -58.24 -60.93 3.0 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 110.197 -0.297 . . . . 1.24 110.197 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.506 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 75.3 mt-30 -51.24 -34.75 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.506 0.504 . . . . 1.89 111.9 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.4 m -57.08 -51.64 68.46 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.557 -0.747 . . . . 1.24 111.286 173.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.585 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 7.4 mt -78.41 -22.06 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.783 0.802 . . . . 1.88 109.323 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.506 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -66.88 -49.64 65.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.104 -1.407 . . . . 1.08 108.363 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 90.1 m -66.6 -35.3 79.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.861 -1.518 . . . . 1.08 110.427 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.585 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 15.3 tp -58.92 -62.88 1.55 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.612 -0.722 . . . . 2.03 110.449 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.464 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.5 t -53.79 -41.91 49.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.18 -1.373 . . . . 1.09 110.935 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.471 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -62.65 -51.07 68.69 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.002 -0.999 . . . . 1.03 111.41 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.485 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.95 -28.08 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.13 0.491 . . . . 1.09 110.876 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.44 74.34 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.765 -0.652 . . . . 1.04 110.395 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.774 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.4 t -87.82 -22.99 24.17 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.953 -0.699 . . . . 1.07 109.863 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.481 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -51.79 -44.82 63.58 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.66 -0.867 . . . . 1.07 108.66 165.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.3 m -70.15 -52.09 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.338 -0.846 . . . . 1.17 110.765 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -58.53 -41.68 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 113.408 0.892 . . . . 1.15 113.408 -175.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.774 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.8 mt -82.52 -18.9 39.9 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-O 121.274 0.559 . . . . 1.18 110.215 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 87.69 39.38 7.15 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.556 -0.747 . . . . 0.93 113.499 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.407 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 11.8 p80 -125.38 -7.83 6.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.288 0.544 . . . . 1.23 111.414 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.481 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.2 m-70 69.97 -23.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.627 1.714 . . . . 1.56 115.627 166.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.8 p -89.54 124.51 64.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 119.311 0.96 . . . . 2.1 113.064 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.485 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.87 -15.85 5.6 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.868 3.046 . . . . 0.56 111.177 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.17 -19.82 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 1.54 110.523 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 16.1 t -94.5 21.63 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 1.02 110.195 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2068 ' ' ALA . 9.7 mm -103.22 117.12 48.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.653 -0.703 . . . . 1.03 110.277 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 36.5 m -84.48 108.79 15.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.202 -0.454 . . . . 0.86 110.282 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.44 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 23.2 Cg_endo -66.78 -28.52 43.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.444 2.096 . . . . 0.18 112.484 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.01 57.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.654 -0.703 . . . . 0.98 111.273 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.492 ' O ' HG23 ' A' 2124 ' ' THR . 33.3 m -75.39 148.13 39.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.085 -0.709 . . . . 1.03 109.085 175.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.12 144.44 29.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.222 -0.899 . . . . 1.06 109.861 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.503 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.8 m-85 -48.09 -39.44 20.3 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.705 0.628 . . . . 0.16 111.986 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.29 -65.48 0.56 Allowed 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 123.718 0.636 . . . . 2.13 110.675 175.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.28 -28.26 66.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.085 -0.961 . . . . 2.27 111.206 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' 2089 ' ' PHE . 88.7 mt -73.6 -14.87 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 1.06 112.618 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.65 8.08 11.35 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.847 -1.168 . . . . 0.22 113.35 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' 2089 ' ' PHE . 4.6 mm -74.8 127.72 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.364 0.602 . . . . 1.1 112.253 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.74 -178.65 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.86 109.446 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 6.5 p -63.57 -43.22 97.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 1.67 110.914 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.585 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.6 tp -59.99 -56.71 18.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.432 -0.804 . . . . 2.14 110.616 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -25.66 64.76 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 113.151 0.797 . . . . 1.07 113.151 -178.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.491 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -24.48 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.903 0.859 . . . . 1.06 109.374 170.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.683 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.98 -40.12 11.85 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.631 -1.168 . . . . 1.73 109.191 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.1 mt-10 -66.77 -33.09 74.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.171 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' 2106 ' ' LEU . 13.9 tp -65.06 -55.61 17.85 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 116.175 -0.466 . . . . 1.76 110.658 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.683 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -57.47 -30.96 65.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.431 -0.804 . . . . 2.66 110.55 176.111 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' 2101 ' ' GLU . 87.5 m-20 -58.93 -54.21 49.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.036 0.446 . . . . 0.44 110.29 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 35.2 m -63.0 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 1.07 110.725 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.1 mt -64.46 -50.22 68.35 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.273 -0.421 . . . . 2.08 111.174 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' 2103 ' ' ARG . 0.4 OUTLIER -60.92 -29.22 69.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.331 0.586 . . . . 1.15 110.327 -178.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.27 -46.11 57.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.324 -0.853 . . . . 1.66 110.709 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -73.17 -34.6 66.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.19 -0.913 . . . . 0.45 112.484 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.588 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 55.3 p -86.26 -26.81 24.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.361 0.6 . . . . 1.1 110.757 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.19 4.62 89.83 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.412 -0.813 . . . . 0.36 111.093 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.588 ' CD1' ' HB ' ' A' 2110 ' ' THR . 6.8 mt -91.8 -174.6 3.88 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.653 0.74 . . . . 1.23 110.557 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -128.42 116.05 19.16 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.474 -1.239 . . . . 0.43 109.68 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -120.19 152.52 54.71 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 114.254 -1.339 . . . . 1.84 110.94 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -75.91 158.5 38.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.251 2.634 . . . . 0.39 111.907 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.483 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.4 Cg_endo -76.19 2.3 7.35 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.237 1.958 . . . . 0.52 111.195 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.9 p -102.89 4.15 37.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.534 -0.757 . . . . 1.12 111.919 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 12.2 mt -41.05 -64.16 0.58 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.451 0.643 . . . . 1.5 112.438 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.499 HG23 HG22 ' A' 2094 ' ' ILE . 8.7 mm -55.97 -24.55 17.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.151 -1.386 . . . . 1.07 111.74 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -88.53 -28.54 20.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.095 -0.502 . . . . 0.45 111.57 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.32 -36.89 14.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.245 0.545 . . . . 1.34 111.005 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -130.68 77.82 74.98 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.472 -0.936 . . . . 0.52 108.472 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.684 ' O ' HG22 ' A' 2124 ' ' THR . 32.9 Cg_endo -91.98 102.47 0.21 Allowed 'Trans proline' 0 N--CA 1.436 -1.902 0 C-N-CA 121.755 1.637 . . . . 0.31 112.412 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.684 HG22 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 155.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 127.694 2.397 . . . . 1.03 105.344 161.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.44 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 49.2 Cg_exo -55.39 -38.39 93.92 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.38 1.529 . . . . 0.14 110.228 171.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.544 ' O ' ' HG3' ' A' 2130 ' ' GLN . 53.1 t60 -64.27 -46.94 81.52 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.5 111.731 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.29 74.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.985 0.422 . . . . 1.0 111.328 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.23 -32.09 61.04 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 116.437 -0.347 . . . . 0.98 111.451 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 95.0 m -57.2 -30.91 64.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.555 0.693 . . . . 1.08 109.23 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -77.01 -49.05 16.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.016 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' 2135 ' ' ARG . 76.7 t60 -65.14 -52.36 55.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 0.41 111.749 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.88 -32.97 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.084 -0.247 . . . . 1.72 111.202 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -64.16 -37.9 89.13 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.349 0.595 . . . . 0.35 109.428 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 49.8 m -68.57 -33.91 74.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.092 -0.958 . . . . 1.15 110.933 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 2131 ' ' HIS . 14.3 mmm180 -68.53 -42.63 78.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.898 0.332 . . . . 1.97 111.898 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.454 HD23 HD12 ' A' 2112 ' ' LEU . 3.6 mm? -68.79 -37.92 79.62 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.074 0.464 . . . . 1.61 111.984 176.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.1 p -82.26 -30.72 30.53 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 1.11 112.385 -169.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -79.06 152.42 30.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.533 -0.303 . . . . 2.43 110.548 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 6.1 p -77.62 76.99 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.563 0.697 . . . . 3.29 110.185 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.298 -0.865 . . . . 7.72 110.016 -178.01 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.805 -0.518 . . . . 6.46 111.805 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 13.4 p -106.44 38.34 2.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 6.57 110.351 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 73.3 m80 56.08 -126.01 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.511 -0.768 . . . . 3.86 110.459 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.577 ' C ' ' H ' ' A' 2051 ' ' LEU . 16.2 ttt -112.44 37.42 3.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.481 -0.327 . . . . 2.18 110.343 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' 2050 ' ' ARG . 22.9 tpt180 -38.14 3.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.835 1.791 . . . . 9.83 115.835 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.577 ' H ' ' C ' ' A' 2049 ' ' MET . 26.2 tp -39.98 -17.62 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.162 1.385 . . . . 2.8 113.677 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.45 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 16.4 m120 -48.71 151.0 1.26 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.175 0.512 . . . . 4.72 111.284 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.82 -30.43 7.77 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.166 -0.774 . . . . 2.06 111.166 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' 2051 ' ' LEU . 3.4 mm? -79.54 155.3 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.289 -0.634 . . . . 2.14 109.289 170.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' 2058 ' ' GLN . 26.6 m -61.82 148.87 86.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.278 -0.419 . . . . 1.69 110.16 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.9 Cg_exo -38.6 -55.9 1.22 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 124.314 3.343 . . . . 1.09 114.295 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.03 -36.19 81.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.702 0.287 . . . . 2.45 110.668 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' 2055 ' ' SER . 20.9 mm-40 -58.16 -38.96 77.63 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.255 0.55 . . . . 2.21 110.147 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.487 ' O ' ' HB ' ' A' 2062 ' ' THR . 53.9 mt-30 -71.09 -43.01 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.529 -0.759 . . . . 1.5 110.75 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.9 mt-30 -59.51 -61.29 2.74 Favored 'General case' 0 C--O 1.205 -1.257 0 CA-C-N 116.277 -0.42 . . . . 1.24 111.11 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.483 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 91.0 mt-30 -48.23 -35.19 11.48 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.485 0.491 . . . . 1.89 111.903 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' 2059 ' ' GLN . 89.0 m -58.79 -57.09 14.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.447 -0.797 . . . . 1.24 111.409 173.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -76.65 -19.09 58.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.827 0.822 . . . . 1.88 109.592 -176.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -66.44 -50.52 63.1 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.093 -1.412 . . . . 1.08 108.422 175.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.8 m -65.63 -33.19 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.915 -1.493 . . . . 1.08 110.3 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.556 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.0 tp -60.67 -61.62 2.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 2.03 110.75 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 2063 ' ' LEU . 58.1 t -50.1 -45.11 23.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.886 -1.052 . . . . 1.09 110.768 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.508 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.39 -47.44 86.07 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.843 -1.071 . . . . 1.03 111.429 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.54 -30.45 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 1.09 111.18 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -64.72 -45.87 84.7 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.877 -0.602 . . . . 1.04 109.735 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.723 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.6 t -87.39 -25.9 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.154 -0.618 . . . . 1.07 111.235 -176.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.26 -42.83 64.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.73 -0.841 . . . . 1.07 108.73 167.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.9 m -75.38 -48.83 21.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.412 -0.813 . . . . 1.17 111.099 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.1 -40.55 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 113.119 0.785 . . . . 1.15 113.119 -175.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.4 mt -83.56 -14.21 52.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.346 0.593 . . . . 1.18 110.156 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.28 38.59 25.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.93 112.91 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.2 p80 -121.51 -15.68 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.179 0.49 . . . . 1.23 111.274 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 99.4 m-70 66.07 -178.74 0.2 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.371 -0.831 . . . . 1.56 111.266 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 25.6 p 54.09 115.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 114.528 1.307 . . . . 2.1 114.528 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.2 Cg_exo -80.99 -16.69 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.459 3.439 . . . . 0.56 111.085 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -78.89 -17.58 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.386 -0.825 . . . . 1.54 109.872 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -93.74 21.51 6.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.38 0.61 . . . . 1.02 109.853 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.508 HG13 ' HB1' ' A' 2068 ' ' ALA . 12.5 mm -105.96 122.33 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.509 -0.769 . . . . 1.03 110.168 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 18.9 m -87.55 110.62 35.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.337 -0.392 . . . . 0.86 110.511 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.476 ' O ' ' HB ' ' A' 2124 ' ' THR . 30.7 Cg_endo -67.63 -26.57 39.47 Favored 'Trans proline' 0 CA--C 1.514 -0.51 0 C-N-CA 122.739 2.293 . . . . 0.18 112.797 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.64 44.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.002 -0.544 . . . . 0.98 111.055 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.447 ' O ' HG22 ' A' 2124 ' ' THR . 28.0 m -75.95 145.75 40.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.2 -0.667 . . . . 1.03 109.2 174.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.63 142.42 32.77 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.194 -0.912 . . . . 1.06 109.082 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.52 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.0 m-85 -47.27 -37.62 11.02 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.004 0.815 . . . . 0.16 111.774 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.543 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.27 -65.64 0.53 Allowed 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.551 0.532 . . . . 2.13 110.776 174.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.6 t70 -56.0 -31.68 63.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.447 -0.797 . . . . 2.27 111.108 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' 2089 ' ' PHE . 81.8 mt -69.54 -17.43 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.973 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.67 -1.26 11.15 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.511 -0.852 . . . . 0.22 113.416 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -64.32 132.47 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.984 0.735 . . . . 1.1 112.984 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.45 165.45 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.791 -1.095 . . . . 1.86 108.253 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 27.9 t -53.54 -35.13 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 118.706 0.685 . . . . 1.67 111.551 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.7 mt -67.49 -53.74 26.14 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.246 0.546 . . . . 2.14 110.092 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.465 HG21 HG11 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.85 -26.27 65.06 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 1.07 112.303 178.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.28 -24.41 64.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.887 0.851 . . . . 1.06 109.405 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -37.49 14.07 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.633 -1.167 . . . . 1.73 109.005 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' 2097 ' ' LEU . 26.9 mt-10 -66.19 -36.96 84.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.988 -0.551 . . . . 0.46 111.315 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.426 HD23 ' CA ' ' A' 2071 ' ' THR . 11.1 mt -54.61 -62.09 1.88 Allowed 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.219 0.533 . . . . 1.76 109.685 173.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -48.81 -39.74 26.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.232 -1.349 . . . . 2.66 111.171 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -57.15 -53.1 61.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.44 111.314 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 99.8 m -71.51 -40.23 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 1.07 111.19 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' 2107 ' ' THR . 0.6 OUTLIER -72.45 -42.92 64.46 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 123.439 0.695 . . . . 2.08 112.01 -174.188 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.52 ' N ' HD23 ' A' 2106 ' ' LEU . 1.3 t -69.69 -27.04 64.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.307 -0.627 . . . . 1.15 109.307 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.03 -52.71 32.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.324 -0.853 . . . . 1.66 110.255 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -63.29 -37.33 86.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.256 -0.883 . . . . 0.45 112.661 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.5 p -83.02 -19.08 37.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.46 0.648 . . . . 1.1 110.298 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 73.08 6.71 69.17 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.265 -0.879 . . . . 0.36 111.307 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.576 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.6 mt -86.99 -171.85 3.7 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.613 0.72 . . . . 1.23 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.9 t70 -134.26 109.7 9.03 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.589 -1.187 . . . . 0.43 109.941 174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' 2112 ' ' LEU . 2.7 mm? -121.88 154.24 60.76 Favored Pre-proline 0 C--N 1.298 -1.645 0 CA-C-N 113.718 -1.583 . . . . 1.84 111.123 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.637 ' O ' ' HG ' ' A' 2118 ' ' LEU . 87.8 Cg_endo -77.03 152.2 31.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 123.134 2.556 . . . . 0.39 111.487 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.5 -7.01 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.214 1.943 . . . . 0.52 111.389 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -91.24 4.26 52.74 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.765 -0.652 . . . . 1.12 111.748 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.7 mt -39.36 -61.31 0.8 Allowed 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.968 0.889 . . . . 1.5 111.306 171.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' 2099 ' ' ALA . 9.8 mm -56.18 -25.63 20.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.362 -1.745 . . . . 1.07 111.902 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -90.36 -34.51 15.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.856 0.36 . . . . 0.45 111.602 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -85.82 -32.66 21.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.592 0.71 . . . . 1.34 110.744 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -132.15 75.93 73.98 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 108.279 -1.008 . . . . 0.52 108.279 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.689 ' O ' HG21 ' A' 2124 ' ' THR . 32.4 Cg_endo -91.55 102.96 0.23 Allowed 'Trans proline' 0 N--CA 1.436 -1.862 0 C-N-CA 121.403 1.402 . . . . 0.31 112.74 -171.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.689 HG21 ' O ' ' A' 2123 ' ' PRO . 3.3 p 166.82 158.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 127.944 2.498 . . . . 1.03 105.146 158.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.474 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.1 Cg_exo -55.75 -37.89 95.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 CA-C-N 121.405 1.538 . . . . 0.14 110.113 170.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.425 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 53.5 t60 -67.64 -42.0 82.95 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.728 -0.669 . . . . 0.5 112.03 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.5 80.52 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.105 0.479 . . . . 1.0 110.615 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 46.9 mt -75.46 -26.72 58.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 0.98 111.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.489 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 31.9 m -60.47 -28.83 68.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.648 0.737 . . . . 1.08 109.118 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.26 -53.15 6.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.205 -0.907 . . . . 1.66 110.665 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -61.45 -49.98 74.63 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.159 0.429 . . . . 0.41 112.159 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.409 HD12 HD22 ' A' 2106 ' ' LEU . 2.6 mm? -67.41 -28.58 68.03 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.991 -0.284 . . . . 1.72 111.415 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -67.19 -45.03 78.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.756 -0.831 . . . . 0.35 108.756 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 84.9 m -58.74 -38.05 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.012 -0.995 . . . . 1.15 111.509 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -63.23 -44.53 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 1.97 111.611 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.511 HD12 ' SD ' ' A' 2049 ' ' MET . 90.9 mt -75.13 -32.06 61.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.751 0.648 . . . . 1.61 112.751 -175.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.8 p -97.36 -44.8 6.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.337 0.589 . . . . 1.11 111.925 -174.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 146.99 24.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.332 -0.849 . . . . 2.43 111.049 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 1.2 p -93.54 90.06 6.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.645 -0.707 . . . . 3.29 110.485 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.512 -0.756 . . . . 7.72 110.18 -177.783 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.767 -0.533 . . . . 6.46 111.767 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 15.9 m -74.08 -60.61 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 6.57 110.556 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.414 ' C ' ' H ' ' A' 2050 ' ' ARG . 64.3 m80 -89.76 157.66 17.86 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.502 -0.555 . . . . 3.86 109.502 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.657 ' C ' ' H ' ' A' 2051 ' ' LEU . 12.3 ttt -82.47 35.24 0.45 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.759 -0.655 . . . . 2.18 111.151 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' 2052 ' ' ASN . 10.2 mtt180 -47.33 6.21 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.397 1.479 . . . . 9.83 114.992 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.657 ' H ' ' C ' ' A' 2049 ' ' MET . 51.1 tp -27.7 44.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 129.662 3.185 . . . . 2.8 118.048 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' 2050 ' ' ARG . 8.6 p30 -77.61 160.81 28.28 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 120.893 -1.129 . . . . 4.72 109.266 174.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.78 -23.04 20.61 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.033 -0.827 . . . . 2.06 111.033 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 80.7 mt -100.19 153.17 19.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.391 -0.596 . . . . 2.14 109.391 172.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 44.8 m -68.05 145.94 97.93 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 108.906 -0.776 . . . . 1.69 108.906 171.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.699 ' O ' ' HG3' ' A' 2060 ' ' GLN . 33.7 Cg_exo -39.69 -51.91 2.76 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.715 2.943 . . . . 1.09 114.096 -176.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.58 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.604 0.24 . . . . 2.45 111.319 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -66.96 -42.01 85.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.08 0.467 . . . . 2.21 110.0 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.499 ' O ' ' HB ' ' A' 2062 ' ' THR . 45.0 mt-30 -59.89 -41.64 92.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.646 -0.706 . . . . 1.5 109.61 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.699 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.43 -59.05 6.08 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.401 -0.818 . . . . 1.24 110.651 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.452 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 78.8 mt-30 -52.17 -34.48 45.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.085 0.469 . . . . 1.89 111.924 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.8 m -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.721 -0.672 . . . . 1.24 111.129 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -78.74 -18.41 54.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.889 0.852 . . . . 1.88 109.29 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -66.26 -44.22 84.29 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.125 -1.398 . . . . 1.08 108.737 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.7 m -61.95 -39.25 91.46 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 113.873 -1.512 . . . . 1.08 110.132 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -55.81 30.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.536 -0.756 . . . . 2.03 108.996 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' 2063 ' ' LEU . 70.5 t -52.04 -47.6 42.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.053 -0.976 . . . . 1.09 111.275 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.417 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -65.57 -49.32 69.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.32 -0.855 . . . . 1.03 111.567 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.39 70.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.177 0.513 . . . . 1.09 110.671 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.04 82.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.54 -0.755 . . . . 1.04 110.531 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.784 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.5 t -86.45 -25.01 25.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.05 -0.66 . . . . 1.07 110.475 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.592 ' HA ' ' NE2' ' A' 2077 ' ' HIS . . . -48.84 -49.23 40.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.13 -0.693 . . . . 1.07 109.13 166.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.6 m -67.73 -49.17 63.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.43 -0.804 . . . . 1.17 110.99 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.564 0.95 . . . . 1.15 113.564 -175.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -80.31 -16.53 54.41 Favored 'General case' 0 CA--C 1.523 -0.067 0 O-C-N 121.952 -0.467 . . . . 1.18 110.297 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.98 27.01 11.5 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.844 -0.693 . . . . 0.93 113.422 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.592 ' NE2' ' HA ' ' A' 2072 ' ' ALA . 5.3 p80 -121.63 1.28 10.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.397 0.598 . . . . 1.23 111.758 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.462 ' C ' ' HB1' ' A' 2072 ' ' ALA . 81.4 m-70 67.66 -54.1 0.49 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.466 1.654 . . . . 1.56 115.466 168.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.505 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 3.5 t -91.73 144.94 30.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.17 -1.012 . . . . 2.1 112.102 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -84.67 -1.62 9.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 124.979 3.786 . . . . 0.56 111.67 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.2 -11.54 59.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.365 -0.834 . . . . 1.54 111.603 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.0 t -118.45 21.68 12.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 1.02 110.538 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.45 HD13 HG21 ' A' 2071 ' ' THR . 23.2 mm -96.13 106.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.03 110.389 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 17.9 m -83.11 112.7 40.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.251 -0.432 . . . . 0.86 110.133 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.493 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.58 -27.63 53.46 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 122.593 2.195 . . . . 0.18 112.499 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.09 53.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.481 -0.781 . . . . 0.98 111.2 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.427 ' O ' HG22 ' A' 2124 ' ' THR . 35.4 m -78.48 146.68 34.28 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.546 0.689 . . . . 1.03 109.362 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -81.43 140.36 34.7 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.968 -1.015 . . . . 1.06 109.419 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.498 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.8 m-85 -46.71 -34.71 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.82 -1.082 . . . . 0.16 112.217 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.59 -64.99 0.64 Allowed 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 123.392 0.433 . . . . 2.13 110.755 173.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.61 -24.74 65.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.577 -0.738 . . . . 2.27 111.343 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' 2089 ' ' PHE . 85.7 mt -76.32 -14.72 60.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 1.06 111.903 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.57 11.7 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.21 -0.995 . . . . 0.22 113.825 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.507 HG21 HG22 ' A' 2119 ' ' ILE . 2.8 mm -63.78 130.87 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.763 0.653 . . . . 1.1 112.763 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -107.81 175.61 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.919 -0.771 . . . . 1.86 108.919 170.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 14.8 m -60.87 -32.54 71.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.055 0.455 . . . . 1.67 111.223 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' 2101 ' ' GLU . 59.6 mt -70.1 -52.56 22.76 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.917 -0.583 . . . . 2.14 110.11 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.477 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -70.49 -26.59 63.68 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.631 -0.713 . . . . 1.07 112.619 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.531 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.37 -23.64 65.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.025 0.917 . . . . 1.06 109.262 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.08 -35.95 15.16 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.56 -1.2 . . . . 1.73 109.305 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' A' 2098 ' ' THR . 25.2 mt-10 -66.01 -38.76 89.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.547 . . . . 0.46 110.782 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' 2071 ' ' THR . 6.3 mt -54.69 -64.82 0.71 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.229 -0.441 . . . . 1.76 111.358 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.596 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -49.9 -36.33 26.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.169 -0.923 . . . . 2.66 110.684 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' 2103 ' ' ARG . 18.8 m-20 -60.38 -46.3 90.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.44 111.069 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -72.44 -42.91 64.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 1.07 110.824 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' 2102 ' ' LEU . 85.9 mt -67.14 -52.16 45.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 2.08 111.674 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.3 t -65.04 -27.62 68.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.083 0.468 . . . . 1.15 110.106 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -64.66 -55.87 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 1.66 110.405 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.42 -43.68 96.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.79 -1.096 . . . . 0.45 112.597 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.543 ' HA ' ' HB2' ' A' 2049 ' ' MET . 46.7 p -75.3 -22.1 57.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.723 0.773 . . . . 1.1 109.79 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.97 3.72 88.23 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.889 -1.051 . . . . 0.36 111.509 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.528 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.1 mt -83.36 -173.74 4.88 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 114.702 -0.749 . . . . 1.23 111.181 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.01 119.37 27.49 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.164 -1.38 . . . . 0.43 108.872 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.411 ' HB3' HD11 ' A' 2118 ' ' LEU . 63.4 mt -135.44 149.5 69.72 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.765 -1.107 . . . . 1.84 111.275 -170.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.87 158.62 27.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.505 2.803 . . . . 0.39 111.96 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.9 Cg_endo -77.16 3.49 6.64 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.208 1.939 . . . . 0.52 111.401 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 -0.38 42.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.652 -0.704 . . . . 1.12 111.678 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' 2114 ' ' LEU . 18.4 mt -39.28 -63.34 0.56 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.669 0.747 . . . . 1.5 112.689 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.531 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.3 mm -57.35 -24.91 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.044 -1.435 . . . . 1.07 111.6 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -90.17 -29.16 18.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.401 0.619 . . . . 0.45 111.222 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.64 -35.58 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.269 -0.878 . . . . 1.34 111.028 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -137.11 77.64 42.17 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.038 -1.097 . . . . 0.52 108.038 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.728 ' O ' HG21 ' A' 2124 ' ' THR . 12.2 Cg_endo -90.88 103.4 0.27 Allowed 'Trans proline' 0 N--CA 1.437 -1.811 0 C-N-CA 121.894 1.73 . . . . 0.31 112.393 -170.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.728 HG21 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.86 155.45 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 127.739 2.416 . . . . 1.03 104.842 160.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.5 Cg_exo -55.33 -37.68 94.4 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 CA-C-N 121.359 1.521 . . . . 0.14 110.164 172.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.531 ' O ' ' HG3' ' A' 2130 ' ' GLN . 59.6 t60 -65.93 -48.42 71.44 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.597 -0.729 . . . . 0.5 111.732 177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.36 74.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.1 0.409 . . . . 1.0 111.307 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' 2128 ' ' LEU . 27.9 mt -71.51 -36.85 71.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.549 -0.296 . . . . 0.98 111.445 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.5 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 87.0 m -58.04 -26.45 62.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.712 0.768 . . . . 1.08 109.549 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' 2126 ' ' HIS . 7.1 mt-30 -80.59 -50.58 9.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.04 -0.982 . . . . 1.66 110.186 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.2 t60 -65.0 -48.17 74.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.941 0.4 . . . . 0.41 111.527 -174.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 2128 ' ' LEU . 20.8 mt -64.53 -30.9 71.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.997 -0.547 . . . . 1.72 111.031 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -67.46 -43.07 81.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.814 -0.81 . . . . 0.35 108.814 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 59.6 m -60.69 -31.72 70.96 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.096 -0.956 . . . . 1.15 111.502 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' 2131 ' ' HIS . 21.1 mmm180 -73.32 -31.79 64.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.733 0.301 . . . . 1.97 111.472 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' 2049 ' ' MET . 95.0 mt -82.31 -43.68 17.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.863 0.363 . . . . 1.61 111.667 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.7 p -82.53 -48.35 11.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.977 -0.556 . . . . 1.11 111.34 -175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.32 148.48 24.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.271 -0.877 . . . . 2.43 110.069 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 33.7 m -151.58 74.21 1.11 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.533 0.682 . . . . 3.29 109.885 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.5 t-80 . . . . . 0 C--O 1.244 0.805 0 CA-C-N 115.259 -0.882 . . . . 7.72 109.768 -176.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.798 -0.521 . . . . 6.46 111.798 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 19.4 m -80.37 66.92 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.154 0.502 . . . . 6.57 111.186 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.471 ' HA ' ' HA3' ' A' 2111 ' ' GLY . 38.6 m80 -147.49 166.69 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.479 0.657 . . . . 3.86 110.605 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.634 ' C ' ' H ' ' A' 2051 ' ' LEU . 11.4 ttt -79.54 40.25 0.43 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.584 -1.189 . . . . 2.18 111.767 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' 2050 ' ' ARG . 11.2 tpt180 -31.94 5.6 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 127.485 2.314 . . . . 9.83 116.696 174.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' 2051 ' ' LEU . 25.8 tp -51.91 39.19 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.291 1.837 . . . . 2.8 113.837 171.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' 2050 ' ' ARG . 7.4 t30 -85.39 150.6 24.61 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.174 -0.954 . . . . 4.72 109.171 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.08 -30.12 8.62 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.168 -0.773 . . . . 2.06 111.168 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.22 143.6 38.87 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.529 -0.545 . . . . 2.14 109.529 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.7 m -61.3 145.49 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 1.69 109.732 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.676 ' O ' ' HG3' ' A' 2060 ' ' GLN . 6.7 Cg_exo -38.4 -52.35 1.97 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.711 2.94 . . . . 1.09 113.73 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.89 -40.74 97.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.061 0.226 . . . . 2.45 111.191 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -56.08 -47.95 77.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.52 -0.548 . . . . 2.21 109.52 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.487 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.3 mt-30 -59.58 -43.81 93.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.487 -0.779 . . . . 1.5 110.659 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.676 ' HG3' ' O ' ' A' 2056 ' ' PRO . 43.1 mt-30 -58.82 -57.79 11.48 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 116.2 -0.454 . . . . 1.24 110.473 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.472 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 98.1 mt-30 -55.23 -35.9 65.42 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 123.346 0.404 . . . . 1.89 111.394 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.6 m -56.62 -53.8 53.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.791 -0.64 . . . . 1.24 111.188 173.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.2 -17.91 53.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.001 0.905 . . . . 1.88 109.572 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -67.76 -46.29 72.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.024 -1.444 . . . . 1.08 108.345 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.5 m -64.59 -36.28 83.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.054 -1.43 . . . . 1.08 110.457 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -58.11 10.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.054 -0.721 . . . . 2.03 109.054 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.425 ' HA ' HD23 ' A' 2106 ' ' LEU . 53.0 t -55.32 -45.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.063 -0.971 . . . . 1.09 110.977 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.71 -46.11 83.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.206 -0.906 . . . . 1.03 111.196 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.49 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.95 -33.34 74.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.241 0.543 . . . . 1.09 110.719 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.22 92.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.273 -0.876 . . . . 1.04 110.46 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.721 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -88.39 -24.75 22.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.998 -0.681 . . . . 1.07 110.925 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.14 47.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.059 -0.719 . . . . 1.07 109.059 165.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.6 m -72.56 -50.92 22.3 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.879 -1.055 . . . . 1.17 110.962 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.66 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -57.66 -42.82 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 113.273 0.842 . . . . 1.15 113.273 -175.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.1 mt -77.49 -15.41 59.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.317 0.579 . . . . 1.18 110.307 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 83.8 35.56 15.82 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.484 -0.78 . . . . 0.93 112.939 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 25.1 p80 -120.68 -14.52 8.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.12 -0.632 . . . . 1.23 112.053 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 65.37 161.33 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.918 -0.583 . . . . 1.56 112.5 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.0 t 43.6 138.68 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 126.369 1.868 . . . . 2.1 115.186 -170.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.49 ' HB3' ' N ' ' A' 2069 ' ' ALA . 1.9 Cg_endo -83.21 -2.42 10.67 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 124.837 3.692 . . . . 0.56 111.91 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.51 -7.95 47.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.409 -0.814 . . . . 1.54 111.248 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.1 t -117.04 14.07 14.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.979 -0.555 . . . . 1.02 110.254 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.443 HD13 HG23 ' A' 2071 ' ' THR . 29.2 mm -89.68 120.05 37.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.056 -0.52 . . . . 1.03 110.568 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 9.3 m -89.53 109.4 31.49 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.985 -0.552 . . . . 0.86 110.206 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.493 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.6 Cg_endo -66.13 -26.99 49.62 Favored 'Trans proline' 0 CA--C 1.513 -0.558 0 C-N-CA 122.551 2.167 . . . . 0.18 112.491 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.69 52.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.541 -0.754 . . . . 0.98 111.38 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.484 ' O ' HG22 ' A' 2124 ' ' THR . 47.5 m -75.67 145.99 40.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.322 0.582 . . . . 1.03 109.488 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -82.42 144.17 30.67 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.065 -0.97 . . . . 1.06 109.69 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.53 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.7 m-85 -48.82 -38.83 23.27 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 123.845 0.716 . . . . 0.16 111.917 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.49 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.14 -65.33 0.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.111 -0.495 . . . . 2.13 110.948 172.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.91 -23.67 65.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.491 -0.777 . . . . 2.27 111.544 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' 2089 ' ' PHE . 89.8 mt -76.03 -21.19 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.343 -0.39 . . . . 1.06 111.915 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.49 11.43 6.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.289 -0.958 . . . . 0.22 113.583 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.53 HG13 ' HB3' ' A' 2089 ' ' PHE . 2.0 mm -70.63 130.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.889 0.7 . . . . 1.1 112.889 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.65 177.41 4.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.845 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 19.4 m -64.76 -38.0 89.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.103 0.411 . . . . 1.67 110.489 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.8 tp -60.59 -54.65 42.85 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 123.44 0.696 . . . . 2.14 110.737 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -71.25 -26.8 63.06 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 112.85 0.685 . . . . 1.07 112.85 -179.284 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.486 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.83 -23.35 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.819 0.818 . . . . 1.06 109.276 170.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.36 -37.48 14.84 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.863 -1.062 . . . . 1.73 108.825 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' 2097 ' ' LEU . 28.8 mt-10 -65.1 -37.77 88.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.095 -0.502 . . . . 0.46 110.835 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.4 mt -56.36 -60.0 4.15 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.12 0.486 . . . . 1.76 110.223 171.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.5 OUTLIER -47.72 -45.56 28.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.598 -1.183 . . . . 2.66 110.948 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -53.69 -53.29 54.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.44 111.174 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.3 m -67.69 -43.64 79.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 1.07 111.338 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 2102 ' ' LEU . 74.5 mt -67.33 -48.47 67.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 2.08 111.605 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.52 -28.19 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.102 0.477 . . . . 1.15 110.017 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.88 -51.54 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 1.66 110.399 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.61 -39.54 94.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.217 -0.901 . . . . 0.45 112.24 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.557 ' HA ' ' HB2' ' A' 2049 ' ' MET . 43.0 p -78.33 -26.28 46.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.652 0.739 . . . . 1.1 109.64 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2111 ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' 2048 ' ' HIS . . . 84.08 8.71 83.5 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.928 -1.033 . . . . 0.36 112.211 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -101.48 -160.38 0.79 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.13 0.491 . . . . 1.23 109.728 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -135.69 121.89 20.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.358 -0.837 . . . . 0.43 110.009 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.93 157.76 76.99 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 114.643 -1.162 . . . . 1.84 111.21 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.61 ' O ' ' HG ' ' A' 2118 ' ' LEU . 79.3 Cg_endo -79.52 153.95 23.87 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.264 2.642 . . . . 0.39 111.696 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.01 2.92 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.083 1.856 . . . . 0.52 111.352 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 18.6 p -96.6 -1.09 47.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.815 -0.629 . . . . 1.12 111.889 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' 2115 ' ' PRO . 87.2 mt -38.33 -59.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.712 0.768 . . . . 1.5 111.79 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.486 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.0 mm -57.31 -25.7 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 113.778 -1.556 . . . . 1.07 111.681 -175.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -90.9 -34.69 15.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.07 0.462 . . . . 0.45 111.48 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.95 -29.97 26.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.34 110.878 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -136.52 75.42 51.2 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.11 -1.071 . . . . 0.52 108.11 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.691 ' O ' HG21 ' A' 2124 ' ' THR . 34.0 Cg_endo -91.95 103.31 0.22 Allowed 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 121.71 1.606 . . . . 0.31 112.37 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.691 HG21 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.6 155.96 0.13 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 127.743 2.417 . . . . 1.03 105.027 160.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 38.2 Cg_exo -55.34 -37.48 94.57 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 121.268 1.489 . . . . 0.14 110.337 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.424 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 75.0 t60 -69.46 -43.08 73.99 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.5 112.052 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.0 73.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.154 0.502 . . . . 1.0 110.501 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 45.5 mt -74.8 -27.29 60.25 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.952 -0.567 . . . . 0.98 111.544 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.423 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 32.2 m -61.58 -30.64 70.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.704 0.764 . . . . 1.08 109.035 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -80.78 -43.34 20.27 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.266 -0.879 . . . . 1.66 110.18 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.449 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.0 t60 -66.46 -52.59 44.65 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.114 -0.494 . . . . 0.41 111.477 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.05 -31.97 73.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.199 -0.2 . . . . 1.72 111.28 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -68.39 -44.32 75.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.162 -0.681 . . . . 0.35 109.162 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.8 m -57.32 -51.76 68.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.594 -0.73 . . . . 1.15 110.327 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.509 ' HB3' HD13 ' A' 2112 ' ' LEU . 20.3 mmm180 -50.61 -48.65 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 1.97 112.584 -176.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.448 HD13 ' SD ' ' A' 2049 ' ' MET . 78.4 mt -68.7 -37.01 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.076 0.399 . . . . 1.61 112.076 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.5 p -79.87 -17.68 52.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.11 111.133 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -87.19 129.38 34.98 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.768 -0.651 . . . . 2.43 110.6 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 119.7 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 3.29 111.074 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.488 -0.768 . . . . 7.72 109.646 179.762 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 112.392 -0.283 . . . . 6.46 112.392 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 66.0 m -81.98 65.11 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.148 0.499 . . . . 6.57 111.081 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 36.8 m80 -125.68 88.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.15 -0.685 . . . . 3.86 109.15 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.554 ' HB2' ' HA ' ' A' 2110 ' ' THR . 48.8 ttp -28.87 -78.75 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.135 1.532 . . . . 2.18 115.135 -167.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.489 ' H ' HD22 ' A' 2051 ' ' LEU . 6.0 mtt180 -106.62 1.11 24.94 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.208 -0.905 . . . . 9.83 110.679 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.489 HD22 ' H ' ' A' 2050 ' ' ARG . 2.4 mm? -100.76 38.89 1.45 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.666 -0.697 . . . . 2.8 112.785 -160.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -91.12 107.65 19.34 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.575 -0.45 . . . . 4.72 110.418 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.38 81.92 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.881 -0.676 . . . . 2.06 113.729 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.98 141.02 37.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.457 0.629 . . . . 2.14 110.793 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.406 ' HB3' ' HD2' ' A' 2056 ' ' PRO . 69.6 m -73.55 159.96 83.4 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.522 -0.763 . . . . 1.69 110.596 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.691 ' O ' ' HG3' ' A' 2060 ' ' GLN . 23.9 Cg_exo -38.8 -58.05 0.82 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 124.144 3.229 . . . . 1.09 115.079 -174.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.03 -37.64 88.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.432 0.16 . . . . 2.45 111.432 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -60.18 -46.18 90.6 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.079 0.466 . . . . 2.21 109.901 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.488 ' O ' ' HB ' ' A' 2062 ' ' THR . 54.1 mt-30 -59.25 -41.1 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.319 -0.855 . . . . 1.5 110.535 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.691 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.79 -61.6 2.49 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.037 -0.529 . . . . 1.24 110.884 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 77.5 mt-30 -53.0 -35.71 59.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.335 0.397 . . . . 1.89 111.76 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' 2059 ' ' GLN . 82.4 m -52.3 -54.01 36.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.7 -0.682 . . . . 1.24 111.197 172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.05 -24.57 47.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.622 0.725 . . . . 1.88 109.426 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.252 -1.34 . . . . 1.08 108.707 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 84.9 m -77.0 -37.34 55.27 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.975 -1.466 . . . . 1.08 110.82 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -57.74 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.579 0.704 . . . . 2.03 109.504 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.505 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 68.6 t -56.11 -43.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.662 -1.154 . . . . 1.09 110.984 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.413 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -66.07 -46.33 78.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.051 -0.977 . . . . 1.03 110.997 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.454 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.76 -33.49 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 1.09 110.654 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.22 88.68 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.098 -0.955 . . . . 1.04 110.649 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.731 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -86.9 -22.74 25.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.825 -0.75 . . . . 1.07 110.441 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.8 -43.21 65.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.267 -0.642 . . . . 1.07 109.267 167.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.9 m -77.91 -46.95 19.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.359 -0.837 . . . . 1.17 111.162 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.39 -43.19 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 112.824 0.676 . . . . 1.15 112.824 -177.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.3 mt -75.58 -32.96 60.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.352 -0.61 . . . . 1.18 109.352 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 100.91 15.41 28.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.93 112.775 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.558 ' HE2' ' CD1' ' A' 2083 ' ' ILE . 8.5 p80 -95.17 -17.67 21.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.405 . . . . 1.23 110.919 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 69.57 159.36 0.18 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.127 -0.942 . . . . 1.56 112.67 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.4 t 46.59 141.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 126.614 1.966 . . . . 2.1 115.272 -172.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.3 Cg_endo -85.33 1.72 8.17 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 124.75 3.633 . . . . 0.56 111.834 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2081 ' ' GLU . . . . . 0.416 ' HG2' ' CG2' ' A' 2079 ' ' THR . 9.8 pt-20 -67.34 -18.22 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.605 -0.725 . . . . 1.54 111.078 -176.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.3 t -114.2 20.11 15.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.117 0.484 . . . . 1.02 110.53 -174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.558 ' CD1' ' HE2' ' A' 2077 ' ' HIS . 18.7 mm -95.27 123.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.3 -0.409 . . . . 1.03 110.668 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 16.4 m -91.42 109.01 33.16 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 0.86 110.23 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.2 Cg_endo -65.62 -27.91 52.95 Favored 'Trans proline' 0 CA--C 1.513 -0.557 0 C-N-CA 122.507 2.138 . . . . 0.18 112.529 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.21 56.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.817 -0.629 . . . . 0.98 111.296 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.434 ' O ' HG22 ' A' 2124 ' ' THR . 57.2 m -76.82 146.48 37.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.58 0.705 . . . . 1.03 109.621 176.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -82.74 143.33 30.95 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.765 -1.107 . . . . 1.06 109.94 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.505 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 38.5 m-85 -47.71 -39.95 18.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.613 -0.721 . . . . 0.16 112.182 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -48.55 -61.58 1.95 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.784 -0.644 . . . . 2.13 110.82 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.18 -18.71 63.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.899 -1.046 . . . . 2.27 111.975 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' 2089 ' ' PHE . 95.8 mt -83.5 -16.66 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.257 -0.428 . . . . 1.06 112.011 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.53 8.04 11.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.292 -0.956 . . . . 0.22 113.139 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.477 HG13 ' HB3' ' A' 2089 ' ' PHE . 4.6 mm -72.28 127.0 33.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.276 0.473 . . . . 1.1 112.276 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -99.95 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 1.86 109.398 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.1 m -68.23 -30.71 69.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.166 0.439 . . . . 1.67 111.065 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.574 ' O ' ' HG3' ' A' 2101 ' ' GLU . 58.2 mt -71.22 -54.66 10.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.315 0.579 . . . . 2.14 109.677 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.477 HG22 HG12 ' A' 2074 ' ' VAL . 0.7 OUTLIER -67.83 -25.84 65.76 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.441 -0.799 . . . . 1.07 112.777 -179.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.536 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.44 -25.69 64.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.896 0.855 . . . . 1.06 109.719 170.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -36.07 14.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.865 -1.061 . . . . 1.73 109.011 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.4 mt-10 -67.77 -34.53 76.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.744 -0.662 . . . . 0.46 111.505 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.422 ' O ' HD11 ' A' 2106 ' ' LEU . 9.9 mt -56.51 -60.57 3.34 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.422 0.63 . . . . 1.76 109.976 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.8 OUTLIER -49.11 -40.36 31.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.197 -1.365 . . . . 2.66 111.064 175.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 2101 ' ' GLU . 85.0 m-20 -53.66 -54.7 34.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.361 -0.381 . . . . 0.44 110.695 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -39.26 82.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 1.07 111.103 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' 2102 ' ' LEU . 5.0 mp -60.55 -56.6 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 2.08 112.172 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.3 t -68.52 -28.19 66.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.15 110.309 -175.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.99 -46.6 64.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 1.66 110.247 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.57 -51.34 63.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.083 -0.962 . . . . 0.45 112.005 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.554 ' HA ' ' HB2' ' A' 2049 ' ' MET . 31.9 p -71.49 -31.32 66.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 1.1 109.891 -171.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.92 7.54 61.17 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 114.791 -1.095 . . . . 0.36 111.727 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.473 ' HG ' ' OG1' ' A' 2110 ' ' THR . 0.1 OUTLIER -99.8 -158.27 0.66 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.118 -0.541 . . . . 1.23 110.024 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -136.43 124.82 23.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.048 -0.978 . . . . 0.43 110.017 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 68.5 mt -133.73 153.57 80.15 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.168 -0.924 . . . . 1.84 111.617 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.569 ' O ' ' HG ' ' A' 2118 ' ' LEU . 43.6 Cg_endo -84.91 153.19 11.3 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 123.548 2.832 . . . . 0.39 112.0 176.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.2 -2.47 12.11 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.223 1.948 . . . . 0.52 111.451 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.5 p -91.96 0.2 57.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.08 -0.509 . . . . 1.12 111.523 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.5 mt -38.82 -65.46 0.36 Allowed 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 112.657 0.614 . . . . 1.5 112.657 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.536 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.8 mm -55.54 -26.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.57 -1.195 . . . . 1.07 111.728 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -85.35 -29.48 24.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.45 111.532 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.56 -30.1 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 1.34 110.828 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -138.95 76.97 32.82 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.558 -0.746 . . . . 0.52 109.175 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.725 ' O ' HG21 ' A' 2124 ' ' THR . 18.0 Cg_endo -92.51 103.13 0.19 Allowed 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.007 1.805 . . . . 0.31 112.333 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.725 HG21 ' O ' ' A' 2123 ' ' PRO . 2.8 p 168.33 154.59 0.14 Allowed Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 127.598 2.359 . . . . 1.03 105.214 161.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.3 Cg_exo -55.81 -37.32 95.86 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 CA-C-N 121.135 1.441 . . . . 0.14 110.267 172.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.546 ' O ' ' HG3' ' A' 2130 ' ' GLN . 46.4 t60 -65.18 -48.14 74.48 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.435 -0.802 . . . . 0.5 111.57 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.65 70.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.933 0.396 . . . . 1.0 111.324 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' 2132 ' ' LEU . 46.0 mt -74.53 -32.13 62.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.365 -0.38 . . . . 0.98 111.506 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.3 m -59.28 -29.07 67.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 1.08 109.208 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -79.32 -48.05 14.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.007 -0.997 . . . . 1.66 109.649 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.577 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.6 t60 -60.81 -51.56 68.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.834 -0.621 . . . . 0.41 111.31 -176.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 2128 ' ' LEU . 27.0 mt -63.4 -32.08 73.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.04 -0.527 . . . . 1.72 111.178 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -69.54 -39.47 77.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.114 -0.698 . . . . 0.35 109.114 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 98.6 m -61.97 -42.84 99.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.666 -0.697 . . . . 1.15 110.503 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' 2131 ' ' HIS . 20.2 mmm180 -59.39 -50.76 72.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.799 0.333 . . . . 1.97 111.611 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.62 -25.18 67.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.675 0.62 . . . . 1.61 112.675 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 57.7 p -98.81 -16.74 18.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.029 0.442 . . . . 1.11 111.551 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.0 161.98 14.07 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.856 -0.611 . . . . 2.43 110.599 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 13.5 p -87.93 90.39 8.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.075 0.465 . . . . 3.29 111.038 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.749 -0.643 . . . . 7.72 110.145 176.248 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.014 -0.434 . . . . 6.46 112.014 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 36.2 t -134.38 136.33 43.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.872 0.367 . . . . 6.57 110.089 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 75.7 m80 -91.69 157.43 16.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.009 -0.541 . . . . 3.86 110.559 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.617 ' C ' ' H ' ' A' 2051 ' ' LEU . 12.1 mtt -85.1 30.03 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.336 0.589 . . . . 2.18 110.849 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' 2052 ' ' ASN . 6.7 ttt180 -59.35 6.03 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.689 1.196 . . . . 9.83 112.611 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.617 ' H ' ' C ' ' A' 2049 ' ' MET . 25.3 mt -26.78 45.39 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.303 3.041 . . . . 2.8 118.792 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' 2050 ' ' ARG . 4.1 p-10 -55.78 146.32 21.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.999 0.818 . . . . 4.72 110.122 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.27 -25.63 15.4 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.372 -1.091 . . . . 2.06 110.372 -171.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.28 148.15 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.632 . . . . 2.14 109.295 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.9 t -68.73 141.0 92.19 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.485 -0.932 . . . . 1.69 108.485 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.626 ' O ' ' HG3' ' A' 2060 ' ' GLN . 63.6 Cg_exo -38.46 -47.11 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.439 2.759 . . . . 1.09 113.553 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.74 -35.68 78.81 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 123.169 0.293 . . . . 2.45 111.284 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.22 -42.3 93.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.944 0.402 . . . . 2.21 110.021 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.745 ' O ' ' HB ' ' A' 2062 ' ' THR . 38.4 mt-30 -63.83 -39.01 93.21 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.175 -0.466 . . . . 1.5 109.765 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.5 mt-30 -56.68 -53.12 61.37 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.95 -0.389 . . . . 1.24 109.95 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.515 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 78.2 mt-30 -51.86 -31.75 29.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 1.89 111.463 176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.745 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.7 m -56.18 -57.27 12.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.553 -0.749 . . . . 1.24 111.143 173.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' 2059 ' ' GLN . 1.4 mm? -65.51 -36.88 85.16 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.123 0.963 . . . . 1.88 109.162 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -59.06 -32.49 69.81 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 113.512 -1.676 . . . . 1.08 110.291 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 41.1 m -89.58 -43.72 10.58 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.256 -1.338 . . . . 1.08 110.532 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.523 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.4 tp -56.4 -60.04 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 2.03 110.836 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.462 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 62.6 t -54.47 -42.32 58.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.224 -1.353 . . . . 1.09 111.271 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.18 64.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.806 -0.634 . . . . 1.03 111.228 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.42 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -64.04 -27.85 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.307 0.575 . . . . 1.09 110.33 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.56 -47.18 79.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.384 -0.825 . . . . 1.04 110.125 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.782 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.2 t -86.24 -24.83 25.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.856 -0.738 . . . . 1.07 110.442 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.02 -51.56 30.21 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.459 -0.941 . . . . 1.07 108.459 165.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -62.73 -51.29 67.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.149 -0.932 . . . . 1.17 111.197 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -60.73 -42.0 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 113.566 0.95 . . . . 1.15 113.566 -175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.782 ' HG ' ' O ' ' A' 2071 ' ' THR . 17.4 mt -76.83 -28.47 55.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.939 -0.476 . . . . 1.18 110.715 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.21 13.17 13.82 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.644 -0.789 . . . . 0.93 112.56 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.403 ' NE2' HD13 ' A' 2075 ' ' LEU . 15.6 p80 -122.37 96.04 4.88 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.993 -0.743 . . . . 1.23 108.993 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -49.43 -35.59 19.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.158 1.54 . . . . 1.56 115.158 -162.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.5 t -88.45 145.21 35.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 118.655 -1.218 . . . . 2.1 112.371 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -85.37 -2.36 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 125.116 3.877 . . . . 0.56 112.014 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.19 -18.62 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 1.54 110.71 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 45.4 t -106.58 19.74 20.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.87 -0.605 . . . . 1.02 110.096 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.459 HD13 HG22 ' A' 2071 ' ' THR . 19.6 mm -98.4 112.58 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.137 -0.483 . . . . 1.03 110.408 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 38.4 m -82.94 113.1 43.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.278 -0.419 . . . . 0.86 110.157 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.465 ' O ' ' HB ' ' A' 2124 ' ' THR . 22.8 Cg_endo -65.67 -28.5 52.29 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 122.454 2.102 . . . . 0.18 112.558 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.87 -30.46 45.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.98 111.491 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.497 ' O ' HG21 ' A' 2124 ' ' THR . 41.3 m -74.87 145.61 42.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.147 -0.686 . . . . 1.03 109.147 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.01 145.62 29.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.192 -0.913 . . . . 1.06 110.05 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.509 ' HB3' HG13 ' A' 2094 ' ' ILE . 40.6 m-85 -48.98 -38.88 24.49 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.929 0.768 . . . . 0.16 111.936 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -47.59 -61.4 1.95 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.972 -0.558 . . . . 2.13 111.0 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.0 -17.15 64.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.526 -0.761 . . . . 2.27 111.804 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.35 -14.83 48.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 1.06 111.831 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 115.29 12.67 9.6 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.335 -0.936 . . . . 0.22 113.457 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.509 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -75.7 132.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 112.566 0.58 . . . . 1.1 112.566 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -107.97 -178.27 3.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.969 -0.752 . . . . 1.86 108.969 172.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 25.2 m -64.15 -38.02 89.54 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.824 -0.35 . . . . 1.67 111.1 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.4 tp -62.06 -55.46 28.82 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.406 0.682 . . . . 2.14 110.746 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.45 HG22 HG13 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.77 -25.99 63.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.639 -0.709 . . . . 1.07 112.827 -178.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.523 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.61 -23.8 64.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.833 0.825 . . . . 1.06 109.496 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.88 -36.59 14.97 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.786 -1.097 . . . . 1.73 108.853 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.5 mt-10 -67.51 -38.15 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.46 111.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.499 ' O ' HD13 ' A' 2106 ' ' LEU . 10.7 mt -56.86 -65.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.002 0.43 . . . . 1.76 111.034 174.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -51.23 -34.39 32.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.89 -1.05 . . . . 2.66 110.55 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -57.71 -53.13 61.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.429 . . . . 0.44 110.606 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.3 m -64.78 -41.32 95.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.879 -0.6 . . . . 1.07 110.646 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' 2102 ' ' LEU . 6.7 mp -63.05 -53.78 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 2.08 111.387 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.531 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 4.8 t -65.21 -28.6 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.195 0.522 . . . . 1.15 110.295 -176.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.42 -45.68 65.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 1.66 110.303 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.62 -39.35 67.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.969 -1.014 . . . . 0.45 112.723 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 41.5 p -80.2 -22.05 42.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.295 0.569 . . . . 1.1 109.587 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 85.29 1.34 88.25 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.114 -0.948 . . . . 0.36 112.032 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -95.26 -159.22 0.7 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.166 0.507 . . . . 1.23 109.876 -177.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2113 ' ' ASP . . . . . 0.531 ' HA ' ' OG1' ' A' 2107 ' ' THR . 24.6 t70 -140.13 113.72 8.65 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.927 -1.033 . . . . 0.43 110.016 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -116.6 151.26 46.89 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 113.808 -1.542 . . . . 1.84 110.557 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' 2118 ' ' LEU . 92.7 Cg_endo -72.03 157.44 54.45 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.411 2.741 . . . . 0.39 111.723 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.515 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.9 Cg_endo -75.3 -2.8 13.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.06 1.84 . . . . 0.52 111.281 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -97.5 4.69 50.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.5 -0.773 . . . . 1.12 110.856 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' 2115 ' ' PRO . 14.6 tp -43.69 -58.1 2.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.636 0.775 . . . . 1.5 112.723 177.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.523 HG13 ' HA ' ' A' 2099 ' ' ALA . 31.6 mm -55.64 -31.05 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.071 -0.968 . . . . 1.07 111.373 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -84.4 -29.97 25.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.891 -0.595 . . . . 0.45 111.439 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.88 -34.06 33.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.671 . . . . 1.34 111.232 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.58 79.77 28.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.345 -0.983 . . . . 0.52 108.345 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.631 ' O ' HG23 ' A' 2124 ' ' THR . 36.1 Cg_endo -91.58 103.14 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.859 1.706 . . . . 0.31 112.642 -169.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.631 HG23 ' O ' ' A' 2123 ' ' PRO . 1.4 p 167.21 157.57 0.12 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.526 2.33 . . . . 1.03 105.419 160.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.464 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.7 Cg_exo -55.88 -38.7 94.2 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 CA-C-N 121.14 1.443 . . . . 0.14 110.163 172.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' 2130 ' ' GLN . 76.9 t60 -68.31 -45.19 73.64 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.76 -0.654 . . . . 0.5 111.716 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.59 -36.48 66.96 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.194 0.521 . . . . 1.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.97 -30.97 44.77 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.022 -0.536 . . . . 0.98 111.384 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 51.5 m -57.53 -33.15 67.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.075 -0.713 . . . . 1.08 109.075 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' 2126 ' ' HIS . 0.8 OUTLIER -79.41 -49.24 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.226 -0.897 . . . . 1.66 110.228 178.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.73 -54.83 37.25 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 111.781 0.289 . . . . 0.41 111.781 -175.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.26 -35.58 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.279 -0.168 . . . . 1.72 111.216 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -65.56 -40.12 92.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.566 -0.531 . . . . 0.35 109.566 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.7 m -64.45 -48.04 76.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.553 -0.748 . . . . 1.15 110.264 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.423 ' HB3' HD11 ' A' 2112 ' ' LEU . 19.9 mmm180 -52.45 -48.43 65.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 1.97 111.721 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.66 -26.67 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.5 p -103.84 -20.49 13.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.189 0.44 . . . . 1.11 112.189 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -82.47 144.7 30.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.835 0.35 . . . . 2.43 110.829 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.33 106.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.792 -0.64 . . . . 3.29 111.733 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.469 -0.776 . . . . 7.72 110.256 -179.29 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.916 -0.473 . . . . 6.46 111.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 11.3 t -168.48 45.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 6.57 110.309 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -107.33 172.25 6.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.47 0.653 . . . . 3.86 111.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.557 ' C ' ' H ' ' A' 2051 ' ' LEU . 1.7 ttt -91.65 34.69 0.97 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.792 -1.094 . . . . 2.18 110.656 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' 2052 ' ' ASN . 3.7 ttt180 -46.53 4.96 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 126.397 1.879 . . . . 9.83 116.001 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.557 ' H ' ' C ' ' A' 2049 ' ' MET . 19.5 mt -24.36 46.72 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 118.594 2.812 . . . . 2.8 118.594 -168.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' 2050 ' ' ARG . 27.9 p-10 -59.51 142.06 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.915 0.78 . . . . 4.72 110.536 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 107.71 -30.67 8.83 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.314 -0.715 . . . . 2.06 111.314 -176.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.0 138.76 31.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.994 -0.373 . . . . 2.14 109.994 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.2 m -67.01 153.84 93.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.758 -0.46 . . . . 1.69 109.758 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.64 ' O ' ' HG3' ' A' 2060 ' ' GLN . 7.0 Cg_exo -38.18 -56.26 1.05 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.879 3.053 . . . . 1.09 113.987 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.8 tp-100 -62.87 -36.2 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.048 0.218 . . . . 2.45 110.922 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.64 -45.23 94.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.653 -0.499 . . . . 2.21 109.653 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' A' 2062 ' ' THR . 49.0 mt-30 -61.1 -40.2 92.84 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.957 -0.565 . . . . 1.5 110.232 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' 2056 ' ' PRO . 44.5 mt-30 -61.58 -54.86 37.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 116.2 -0.454 . . . . 1.24 110.202 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.482 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 25.7 mt-30 -54.2 -36.85 63.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 1.89 111.459 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.7 m -57.58 -52.69 64.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.76 -0.655 . . . . 1.24 111.246 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -78.71 -19.29 52.76 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.963 0.887 . . . . 1.88 109.567 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.05 -48.59 65.19 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.137 -1.392 . . . . 1.08 108.336 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 93.7 m -63.97 -35.91 82.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 113.978 -1.465 . . . . 1.08 110.506 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -59.68 4.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.894 -0.78 . . . . 2.03 108.894 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' 2063 ' ' LEU . 54.7 t -54.28 -44.9 67.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.795 -1.093 . . . . 1.09 110.92 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -63.48 -51.54 65.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.083 -0.962 . . . . 1.03 111.708 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.65 -29.75 70.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.008 0.432 . . . . 1.09 110.778 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.83 84.03 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.731 -0.668 . . . . 1.04 110.377 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.78 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.7 -24.98 23.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.078 -0.649 . . . . 1.07 110.347 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -45.9 60.26 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.905 -0.776 . . . . 1.07 108.905 166.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.2 m -71.92 -48.55 44.67 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 1.17 111.186 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.664 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.01 -42.62 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.095 0.776 . . . . 1.15 113.095 -176.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' 2071 ' ' THR . 9.2 mt -77.61 -27.01 51.07 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.301 0.572 . . . . 1.18 109.793 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 97.86 44.19 2.71 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.344 -0.844 . . . . 0.93 112.932 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.59 -1.47 2.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.243 0.521 . . . . 1.23 112.246 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.3 m-70 67.5 -38.48 0.35 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.463 1.653 . . . . 1.56 115.463 168.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.478 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.5 p -79.09 123.06 85.02 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 113.482 0.919 . . . . 2.1 113.482 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.7 Cg_exo -83.75 -19.71 4.92 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.972 3.115 . . . . 0.56 110.91 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.29 -22.31 57.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.467 -0.788 . . . . 1.54 110.372 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.2 t -94.38 20.43 8.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 1.02 110.036 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.469 HD12 HG23 ' A' 2071 ' ' THR . 13.4 mm -99.35 119.58 47.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.322 -0.854 . . . . 1.03 109.795 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 6.5 m -85.64 109.1 19.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.86 110.403 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 23.9 Cg_endo -65.9 -27.62 50.92 Favored 'Trans proline' 0 CA--C 1.515 -0.472 0 C-N-CA 122.519 2.146 . . . . 0.18 112.564 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -79.5 -29.95 41.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.686 -0.688 . . . . 0.98 111.008 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.487 ' O ' HG22 ' A' 2124 ' ' THR . 40.9 m -74.73 146.73 41.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.409 0.624 . . . . 1.03 109.722 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.409 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.59 143.89 29.83 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.007 -0.997 . . . . 1.06 109.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.502 ' HB3' HG13 ' A' 2094 ' ' ILE . 39.8 m-85 -49.59 -37.4 27.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.275 -0.875 . . . . 0.16 111.91 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.431 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.54 -64.7 0.7 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.141 -0.481 . . . . 2.13 110.883 172.011 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.45 ' HB2' ' CG2' ' A' 2087 ' ' THR . 8.0 m-20 -56.74 -30.47 63.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 2.27 111.422 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' 2089 ' ' PHE . 80.8 mt -75.06 -16.07 60.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.782 -0.644 . . . . 1.06 111.973 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 116.69 8.03 12.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.342 -0.932 . . . . 0.22 113.441 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.512 HG22 HG22 ' A' 2119 ' ' ILE . 2.4 mm -69.8 132.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.816 0.673 . . . . 1.1 112.816 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -108.7 178.76 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.14 -0.936 . . . . 1.86 109.016 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 10.4 p -60.68 -43.09 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.137 0.494 . . . . 1.67 110.627 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.647 ' O ' ' HB3' ' A' 2100 ' ' LEU . 12.8 tp -58.23 -52.63 64.78 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.279 -0.873 . . . . 2.14 111.366 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.439 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -73.33 -26.06 60.88 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 112.958 0.725 . . . . 1.07 112.958 -179.593 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.545 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.86 -21.56 63.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 1.06 109.325 171.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.647 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.1 OUTLIER -85.53 -48.48 8.9 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.347 -1.297 . . . . 1.73 108.469 177.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.571 ' N ' HD13 ' A' 2100 ' ' LEU . 22.9 mt-10 -56.98 -39.35 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.46 111.974 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' 2106 ' ' LEU . 6.9 mt -56.81 -64.09 0.99 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.144 0.497 . . . . 1.76 110.707 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.0 OUTLIER -48.55 -38.46 20.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.693 -1.14 . . . . 2.66 111.242 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -59.52 -38.94 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.309 . . . . 0.44 111.418 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.54 -39.16 28.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.155 0.503 . . . . 1.07 110.548 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' 2102 ' ' LEU . 6.2 mp -63.35 -56.05 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.539 -0.755 . . . . 2.08 111.423 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -64.36 -27.81 69.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.055 0.455 . . . . 1.15 110.115 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.5 t60 -67.98 -49.9 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.773 -0.649 . . . . 1.66 110.312 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.14 -42.57 84.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.011 -0.995 . . . . 0.45 112.502 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.491 ' HA ' ' HB2' ' A' 2049 ' ' MET . 41.5 p -78.66 -23.62 45.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.505 0.669 . . . . 1.1 109.777 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.58 7.65 85.88 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.999 -1.0 . . . . 0.36 112.099 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.31 -159.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.508 . . . . 1.23 109.761 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.96 121.51 14.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.16 -0.927 . . . . 0.43 109.36 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.67 161.01 66.31 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 114.966 -1.015 . . . . 1.84 111.359 -167.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' 2118 ' ' LEU . 62.7 Cg_endo -83.76 151.9 13.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.165 2.576 . . . . 0.39 111.899 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.98 -4.42 15.1 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.225 1.95 . . . . 0.52 111.5 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.9 p -93.21 1.97 56.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.855 -0.611 . . . . 1.12 111.728 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' 2115 ' ' PRO . 48.1 mt -41.22 -57.83 1.98 Allowed 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.959 0.885 . . . . 1.5 111.442 171.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.545 HG13 ' HA ' ' A' 2099 ' ' ALA . 9.5 mm -54.75 -27.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 113.163 -1.835 . . . . 1.07 111.495 -176.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -91.36 -33.56 15.23 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.002 -0.545 . . . . 0.45 111.664 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.89 -37.29 40.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.693 0.759 . . . . 1.34 110.743 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -132.71 77.93 67.92 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.992 -1.114 . . . . 0.52 107.992 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG21 ' A' 2124 ' ' THR . 38.9 Cg_endo -91.14 103.23 0.26 Allowed 'Trans proline' 0 N--CA 1.436 -1.858 0 C-N-CA 121.575 1.517 . . . . 0.31 112.607 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.724 HG21 ' O ' ' A' 2123 ' ' PRO . 5.2 p 167.78 158.31 0.14 Allowed Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 128.181 2.592 . . . . 1.03 104.789 159.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 36.3 Cg_exo -55.45 -37.6 94.71 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 CA-C-N 121.31 1.504 . . . . 0.14 110.367 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 76.6 t60 -71.09 -40.31 71.62 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.858 -0.61 . . . . 0.5 111.957 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.37 77.79 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.249 0.547 . . . . 1.0 110.496 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.81 -29.04 58.56 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.078 -0.51 . . . . 0.98 111.291 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.1 m -60.4 -28.84 68.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.815 -0.809 . . . . 1.08 108.815 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -80.49 -48.55 12.64 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.102 -0.954 . . . . 1.66 110.296 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.99 -52.09 66.5 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.537 -0.301 . . . . 0.41 111.417 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.28 -33.48 74.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.128 -0.229 . . . . 1.72 111.442 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -70.44 -37.08 74.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.48 -0.563 . . . . 0.35 109.48 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 35.0 m -65.97 -44.84 83.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.819 -0.628 . . . . 1.15 110.802 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.444 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -57.22 -47.53 81.09 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.972 0.36 . . . . 1.97 111.972 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.53 -45.96 64.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.502 0.556 . . . . 1.61 112.502 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.1 p -81.75 -46.93 13.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.088 0.47 . . . . 1.11 111.464 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.1 116.4 28.67 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.32 -0.855 . . . . 2.43 109.604 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 11.8 m -95.82 140.0 31.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.559 -0.746 . . . . 3.29 111.153 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 69.6 m80 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.446 -0.788 . . . . 7.72 109.592 175.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.093 -0.403 . . . . 6.46 112.093 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 3.4 p -89.45 -21.09 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.791 0.329 . . . . 6.57 111.057 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' 2050 ' ' ARG . 13.2 m80 -70.92 164.33 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.27 0.557 . . . . 3.86 110.787 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.64 ' C ' ' H ' ' A' 2051 ' ' LEU . 7.3 ttt -78.91 37.57 0.31 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.254 -0.885 . . . . 2.18 111.587 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' 2048 ' ' HIS . 8.8 mtt180 -38.83 8.29 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 126.545 1.938 . . . . 9.83 116.177 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.64 ' H ' ' C ' ' A' 2049 ' ' MET . 26.5 tp -48.82 39.9 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.737 2.015 . . . . 2.8 114.286 172.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' 2050 ' ' ARG . 2.9 p-10 -80.59 154.21 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.108 -0.995 . . . . 4.72 109.755 178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.2 -30.69 8.05 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.056 -0.818 . . . . 2.06 111.056 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.71 144.57 35.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.006 -0.738 . . . . 2.14 109.006 172.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 14.8 m -64.77 150.68 94.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.541 -0.54 . . . . 1.69 109.541 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.701 ' O ' ' HG3' ' A' 2060 ' ' GLN . 44.8 Cg_exo -40.89 -52.35 3.34 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.586 2.857 . . . . 1.09 113.913 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 25.8 tp60 -63.52 -38.35 90.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.819 -0.173 . . . . 2.45 111.417 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -61.48 -43.55 98.66 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.635 -0.505 . . . . 2.21 109.635 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' 2062 ' ' THR . 52.9 mt-30 -63.77 -41.08 98.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.555 -0.748 . . . . 1.5 110.244 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.701 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -60.26 -59.24 5.72 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.342 -0.39 . . . . 1.24 110.379 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.475 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 93.0 mt-30 -52.96 -35.87 59.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.341 0.4 . . . . 1.89 111.508 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' 2059 ' ' GLN . 90.1 m -56.34 -54.41 45.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.825 -0.625 . . . . 1.24 111.305 172.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -79.07 -19.34 51.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.911 0.862 . . . . 1.88 109.704 -175.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.13 -51.18 49.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.118 -1.401 . . . . 1.08 108.463 175.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.7 m -61.88 -33.88 75.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.828 -1.533 . . . . 1.08 110.522 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' 2109 ' ' ASN . 0.0 OUTLIER -59.98 -59.25 5.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.909 -0.774 . . . . 2.03 108.909 175.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' 2063 ' ' LEU . 55.7 t -54.29 -43.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 1.09 110.783 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.521 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.93 70.21 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.81 -1.086 . . . . 1.03 111.4 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.507 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -59.97 -32.92 71.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.971 0.415 . . . . 1.09 110.76 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.466 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -61.54 -46.81 88.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.409 -0.814 . . . . 1.04 110.467 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.738 ' O ' ' HG ' ' A' 2075 ' ' LEU . 11.8 t -88.55 -24.17 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 119.843 -0.743 . . . . 1.07 110.916 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.546 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -53.91 -45.15 71.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.644 -0.873 . . . . 1.07 108.644 167.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 76.1 m -71.85 -48.41 46.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.419 -0.809 . . . . 1.17 111.074 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.641 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.7 OUTLIER -59.94 -42.27 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.26 0.837 . . . . 1.15 113.26 -175.064 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.9 mt -82.43 -12.36 57.91 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.087 0.47 . . . . 1.18 110.069 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.72 18.08 76.1 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.93 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.2 p80 -100.55 -14.39 18.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 1.23 110.911 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 63.04 -176.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.28 -0.873 . . . . 1.56 111.68 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 23.0 p 53.21 115.47 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 114.514 1.301 . . . . 2.1 114.514 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.507 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.3 Cg_exo -80.86 -12.51 12.07 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 124.455 3.437 . . . . 0.56 111.193 174.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.06 -21.68 33.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.163 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.6 t -90.8 21.99 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 1.02 109.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' 2068 ' ' ALA . 11.6 mm -103.26 118.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 1.03 110.091 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 23.6 m -85.49 111.94 40.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.625 -0.261 . . . . 0.86 110.428 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 31.7 Cg_endo -68.04 -26.12 37.39 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.573 2.182 . . . . 0.18 112.563 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.34 -30.84 48.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.723 -0.671 . . . . 0.98 111.416 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 26.0 m -73.31 146.86 44.99 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.373 -0.602 . . . . 1.03 109.373 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.37 142.43 31.03 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 115.215 -0.902 . . . . 1.06 109.793 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.9 m-85 -46.88 -41.75 16.32 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 123.526 0.516 . . . . 0.16 112.17 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -49.51 -60.66 2.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.318 -0.401 . . . . 2.13 111.374 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.403 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.1 t70 -57.77 -31.87 66.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 2.27 110.963 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' 2089 ' ' PHE . 86.6 mt -70.59 -19.63 62.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 1.06 112.301 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.55 3.56 10.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.239 -0.981 . . . . 0.22 113.143 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.508 HG23 HG22 ' A' 2119 ' ' ILE . 7.8 mm -70.25 129.87 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.053 0.454 . . . . 1.1 112.054 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -110.26 -178.23 3.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.932 -0.766 . . . . 1.86 108.932 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 53.3 p -61.89 -35.22 77.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.185 0.517 . . . . 1.67 111.156 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' 2100 ' ' LEU . 61.3 mt -67.23 -50.97 58.66 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.509 -0.769 . . . . 2.14 110.391 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.498 HG23 HG11 ' A' 2074 ' ' VAL . 0.7 OUTLIER -74.0 -26.42 60.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 113.041 0.756 . . . . 1.07 113.041 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.519 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.52 -20.82 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.077 0.942 . . . . 1.06 109.376 170.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.732 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -84.48 -50.26 7.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.186 -1.37 . . . . 1.73 108.55 177.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.503 ' N ' HD11 ' A' 2100 ' ' LEU . 18.0 mt-10 -56.11 -42.53 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.46 111.997 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.4 mt -56.83 -61.39 2.47 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.266 0.555 . . . . 1.76 110.722 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.1 tmt_? -47.94 -42.91 28.59 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.395 -1.275 . . . . 2.66 111.216 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -58.46 -47.5 83.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.44 111.196 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 19.4 m -70.39 -42.06 72.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 1.07 111.277 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 2102 ' ' LEU . 61.6 mt -68.97 -46.73 67.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.329 . . . . 2.08 111.36 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.3 t -66.88 -27.68 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.345 0.593 . . . . 1.15 109.873 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.9 t60 -68.96 -48.14 63.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.523 -0.762 . . . . 1.66 110.405 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.456 ' CB ' HD12 ' A' 2066 ' ' LEU . 7.8 m-80 -68.97 -39.35 79.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.004 . . . . 0.45 112.798 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.529 ' HA ' ' HB2' ' A' 2049 ' ' MET . 40.8 p -81.12 -22.58 38.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.681 . . . . 1.1 109.971 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.48 10.73 84.11 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.077 -0.965 . . . . 0.36 112.237 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.15 -159.06 0.71 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.134 0.493 . . . . 1.23 109.882 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -138.29 116.84 12.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.147 -0.933 . . . . 0.43 109.904 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.91 151.89 76.43 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 114.297 -1.319 . . . . 1.84 111.609 -170.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 77.4 Cg_endo -79.06 152.49 24.47 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 123.591 2.861 . . . . 0.39 112.317 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.7 1.38 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.47 2.113 . . . . 0.52 111.695 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -100.7 3.14 42.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.549 . . . . 1.12 111.765 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 33.7 mt -39.66 -63.91 0.53 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 1.5 112.174 172.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.519 HG13 ' HA ' ' A' 2099 ' ' ALA . 10.9 mm -56.9 -25.68 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 113.847 -1.524 . . . . 1.07 111.564 -174.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -84.45 -31.94 24.32 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.808 0.337 . . . . 0.45 111.683 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -89.33 -39.1 13.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.198 0.523 . . . . 1.34 111.024 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -123.83 71.26 50.61 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.586 -0.894 . . . . 0.52 108.586 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.685 ' O ' HG21 ' A' 2124 ' ' THR . 10.7 Cg_endo -91.58 104.09 0.24 Allowed 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.134 1.89 . . . . 0.31 112.619 -172.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.685 HG21 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.63 155.89 0.13 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.706 2.403 . . . . 1.03 104.896 160.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.498 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.6 Cg_exo -54.97 -39.52 90.35 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 CA-C-N 121.475 1.562 . . . . 0.14 109.908 171.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' 2130 ' ' GLN . 38.4 t60 -62.92 -48.49 78.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.561 -0.745 . . . . 0.5 111.726 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.73 73.98 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.86 0.362 . . . . 1.0 111.193 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.32 -30.23 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.475 -0.329 . . . . 0.98 111.477 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.428 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 57.8 m -59.78 -28.8 67.72 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.743 0.782 . . . . 1.08 109.162 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.6 mt-30 -80.63 -47.0 14.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.955 . . . . 1.66 110.106 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.24 -52.79 63.3 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.382 -0.372 . . . . 0.41 111.673 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.85 -32.12 73.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.575 0.226 . . . . 1.72 111.143 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -70.45 -38.13 74.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.556 -0.535 . . . . 0.35 109.556 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.585 ' O ' ' HG2' ' A' 2138 ' ' GLN . 27.7 m -65.4 -50.31 65.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.881 -0.599 . . . . 1.15 110.457 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -47.54 -53.17 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.647 0.61 . . . . 1.97 112.647 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.509 HD12 ' SD ' ' A' 2049 ' ' MET . 67.1 mt -66.5 -39.91 88.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.009 -0.541 . . . . 1.61 112.304 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.7 p -81.65 -37.6 27.24 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 1.11 112.215 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' 2134 ' ' THR . 25.3 pt20 -79.6 132.35 36.24 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.183 0.516 . . . . 2.43 110.108 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 13.7 m -94.54 68.89 3.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.382 0.611 . . . . 3.29 110.581 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.518 -0.764 . . . . 7.72 109.98 -178.539 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.109 -0.396 . . . . 6.46 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 34.3 p -94.62 -13.47 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.967 0.413 . . . . 6.57 111.335 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.24 160.33 14.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.412 0.625 . . . . 3.86 110.687 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.592 ' C ' ' H ' ' A' 2051 ' ' LEU . 18.4 ttt -82.86 36.63 0.5 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.893 -1.049 . . . . 2.18 111.033 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -46.25 8.92 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.446 1.498 . . . . 9.83 114.909 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.592 ' H ' ' C ' ' A' 2049 ' ' MET . 14.1 tp -28.51 -25.57 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.599 1.56 . . . . 2.8 114.161 165.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.561 ' HA ' ' CD ' ' A' 2059 ' ' GLN . 30.1 p30 -49.91 152.26 1.63 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.5 0.667 . . . . 4.72 111.668 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 113.12 -30.89 7.06 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.183 -0.767 . . . . 2.06 111.183 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 3.8 mm? -70.44 160.58 32.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.96 -0.756 . . . . 2.14 108.96 166.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.9 p -65.22 147.76 98.36 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.912 -0.773 . . . . 1.69 108.912 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.731 ' O ' ' HG3' ' A' 2060 ' ' GLN . 38.5 Cg_exo -38.65 -57.78 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.569 2.846 . . . . 1.09 114.056 -173.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.74 -39.18 87.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.894 0.331 . . . . 2.45 111.894 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 15.3 mm100 -58.73 -41.3 86.1 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.277 0.56 . . . . 2.21 109.913 176.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.561 ' CD ' ' HA ' ' A' 2052 ' ' ASN . 23.1 mt-30 -67.99 -44.67 76.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.595 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.731 ' HG3' ' O ' ' A' 2056 ' ' PRO . 19.6 mt-30 -59.31 -60.41 3.9 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.114 -0.494 . . . . 1.24 111.132 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.493 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 98.3 mt-30 -50.26 -37.19 34.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.025 0.44 . . . . 1.89 111.688 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' 2059 ' ' GLN . 87.0 m -55.96 -54.6 42.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.499 -0.773 . . . . 1.24 111.483 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.17 -19.9 46.05 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.905 0.859 . . . . 1.88 109.625 -176.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -66.82 -48.35 69.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.98 -1.464 . . . . 1.08 108.488 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 40.2 m -65.85 -34.75 78.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.311 -1.313 . . . . 1.08 110.942 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -57.94 10.47 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.063 -0.717 . . . . 2.03 109.063 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2067 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.25 -43.77 77.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.038 -0.983 . . . . 1.09 111.149 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.451 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.58 -47.6 75.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.175 -0.92 . . . . 1.03 111.446 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.445 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.62 -29.84 70.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.042 0.448 . . . . 1.09 110.745 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.27 80.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.54 -0.755 . . . . 1.04 110.241 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.798 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.9 t -85.53 -26.36 26.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 119.899 -0.721 . . . . 1.07 110.541 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.514 ' HB3' ' C ' ' A' 2078 ' ' HIS . . . -50.63 -46.84 58.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.167 -0.679 . . . . 1.07 109.167 166.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 91.4 m -70.79 -47.85 57.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.544 -0.753 . . . . 1.17 110.988 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.682 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.08 -42.23 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.086 0.773 . . . . 1.15 113.086 -176.34 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.3 mt -80.3 -21.09 42.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.21 0.528 . . . . 1.18 109.998 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 90.95 36.55 6.68 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.478 -0.783 . . . . 0.93 113.332 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.2 p80 -123.37 -9.53 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 1.23 111.061 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.514 ' C ' ' HB3' ' A' 2072 ' ' ALA . 90.0 m-70 71.65 -31.88 0.23 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.804 1.409 . . . . 1.56 114.804 166.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.2 p -81.15 124.32 81.05 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.27 0.841 . . . . 2.1 113.27 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 2079 ' ' THR . 4.4 Cg_exo -85.86 -10.76 7.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.963 3.109 . . . . 0.56 110.544 173.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.65 -18.81 43.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.109 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.8 t -97.61 21.79 9.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.234 0.54 . . . . 1.02 110.413 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.451 HG13 ' HB1' ' A' 2068 ' ' ALA . 13.9 mm -104.2 114.51 43.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.819 -0.628 . . . . 1.03 110.723 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.5 m -83.12 113.5 46.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.86 110.341 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.463 ' O ' ' HB ' ' A' 2124 ' ' THR . 26.5 Cg_endo -68.04 -26.39 37.11 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.4 2.066 . . . . 0.18 112.305 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.78 55.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.596 -0.729 . . . . 0.98 111.4 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.48 ' O ' HG21 ' A' 2124 ' ' THR . 26.7 m -76.31 145.6 39.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.357 0.598 . . . . 1.03 109.44 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' 2124 ' ' THR . . . -81.76 141.46 33.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.201 -0.909 . . . . 1.06 109.595 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.491 ' HB3' HG13 ' A' 2094 ' ' ILE . 43.8 m-85 -45.19 -42.76 9.51 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.691 0.619 . . . . 0.16 111.498 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.03 -64.16 0.68 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.316 -0.857 . . . . 2.13 111.746 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.5 t70 -60.94 -30.99 70.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 2.27 111.105 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' 2089 ' ' PHE . 86.2 mt -70.9 -12.86 61.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 1.06 112.41 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 110.88 14.56 12.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.245 -0.979 . . . . 0.22 112.683 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.502 HG22 HG22 ' A' 2119 ' ' ILE . 5.0 mm -79.83 118.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.202 0.525 . . . . 1.1 112.0 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.93 178.26 6.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.468 -0.787 . . . . 1.86 108.948 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.6 m -68.44 -30.52 69.41 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 118.231 0.469 . . . . 1.67 110.817 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' 2100 ' ' LEU . 69.7 mt -71.87 -48.89 42.68 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.245 0.545 . . . . 2.14 110.192 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.489 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -73.01 -27.35 61.73 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 112.963 0.727 . . . . 1.07 112.963 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.78 -25.08 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.504 -0.925 . . . . 1.06 108.504 168.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.768 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 4.0 tp -86.92 -41.32 14.05 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 114.343 -1.299 . . . . 1.73 109.667 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.489 ' HG3' ' HA ' ' A' 2098 ' ' THR . 20.2 mt-10 -60.76 -35.58 76.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.874 -0.603 . . . . 0.46 110.582 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.54 -70.7 0.13 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.345 0.498 . . . . 1.76 112.345 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.768 ' CZ ' ' HA ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -57.09 -26.21 60.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.903 -0.319 . . . . 2.66 111.027 -176.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -60.15 -56.74 17.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.08 0.466 . . . . 0.44 110.186 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 30.6 m -62.87 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.576 -0.738 . . . . 1.07 110.938 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.8 mp -61.51 -58.19 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.726 -0.67 . . . . 2.08 111.731 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 3.2 t -63.98 -28.05 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 1.15 110.294 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -66.43 -52.35 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.385 0.612 . . . . 1.66 110.442 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -66.96 -39.26 87.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.45 112.664 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.57 ' HA ' ' HB2' ' A' 2049 ' ' MET . 54.6 p -77.96 -23.87 48.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.648 0.737 . . . . 1.1 110.061 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.01 5.13 86.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.001 -1.0 . . . . 0.36 111.181 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.543 ' CD1' ' HB ' ' A' 2110 ' ' THR . 11.2 mt -85.16 -168.5 2.24 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.647 -0.776 . . . . 1.23 110.337 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -136.92 122.3 19.43 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.605 -1.18 . . . . 0.43 108.811 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.426 HD11 HD13 ' A' 2132 ' ' LEU . 64.7 mt -130.14 159.53 69.87 Favored Pre-proline 0 C--N 1.305 -1.357 0 CA-C-N 114.916 -1.038 . . . . 1.84 111.3 -168.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.87 151.51 27.86 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.648 2.232 . . . . 0.39 111.06 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.629 ' HB2' ' NH2' ' A' 2103 ' ' ARG . 87.9 Cg_endo -81.14 13.86 2.26 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.657 1.572 . . . . 0.52 110.866 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.4 p -106.92 2.23 25.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.281 -0.872 . . . . 1.12 111.619 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 15.3 mt -38.79 -67.09 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.344 0.868 . . . . 1.5 113.344 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' 2123 ' ' PRO . 12.5 mm -58.61 -21.35 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.202 -0.908 . . . . 1.07 111.605 -174.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.92 -38.83 16.33 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.301 -0.408 . . . . 0.45 111.642 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.5 -37.59 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.364 0.602 . . . . 1.34 111.175 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -127.52 74.37 77.88 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.52 108.692 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.763 ' O ' HG23 ' A' 2124 ' ' THR . 18.5 Cg_endo -91.91 101.97 0.21 Allowed 'Trans proline' 0 N--CA 1.434 -2.027 0 C-N-CA 121.922 1.748 . . . . 0.31 111.774 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.763 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 169.05 154.34 0.16 Allowed Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 127.808 2.443 . . . . 1.03 104.749 163.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.444 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.0 Cg_exo -55.72 -38.06 94.78 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 CA-C-N 121.087 1.424 . . . . 0.14 110.033 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.483 ' O ' ' HG3' ' A' 2130 ' ' GLN . 57.4 t60 -64.66 -47.11 79.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.5 111.966 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.01 -40.85 70.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.023 0.439 . . . . 1.0 111.228 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 46.7 mt -76.16 -30.33 58.07 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.317 -0.401 . . . . 0.98 111.452 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.4 m -59.92 -26.2 65.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.663 0.744 . . . . 1.08 109.206 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.0 mt-30 -80.24 -47.05 15.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.838 . . . . 1.66 110.068 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.98 -51.92 54.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.348 -0.387 . . . . 0.41 111.831 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.426 HD13 HD11 ' A' 2114 ' ' LEU . 2.3 mm? -62.57 -32.59 73.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.173 -0.211 . . . . 1.72 111.084 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -66.66 -39.62 88.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.249 -0.649 . . . . 0.35 109.249 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 41.4 m -67.27 -40.57 86.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.632 -0.713 . . . . 1.15 110.765 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.426 ' CB ' HD11 ' A' 2112 ' ' LEU . 7.2 mmm180 -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.61 0.243 . . . . 1.97 111.304 -175.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' 2049 ' ' MET . 95.8 mt -79.76 -11.76 59.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.823 0.344 . . . . 1.61 111.831 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.8 p -101.88 -28.33 12.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.517 . . . . 1.11 110.674 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -100.85 108.66 20.5 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.769 -0.65 . . . . 2.43 110.465 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 32.1 t -133.64 29.42 3.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.491 0.662 . . . . 3.29 110.991 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.354 -0.839 . . . . 7.72 109.465 177.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.913 -0.475 . . . . 6.46 111.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' 2051 ' ' LEU . 19.6 m -104.93 -57.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.616 0.208 . . . . 6.57 111.156 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 -74.71 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.411 0.522 . . . . 3.86 112.411 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.74 -78.27 0.4 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.396 0.887 . . . . 2.18 113.396 -166.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -106.64 0.39 24.36 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.014 . . . . 9.83 111.614 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.638 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 15.3 mt -92.51 27.14 2.38 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.598 0.592 . . . . 2.8 112.598 -161.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -90.82 109.4 20.61 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.553 -0.459 . . . . 4.72 110.473 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 101.84 -17.77 53.95 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.838 -0.696 . . . . 2.06 113.145 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 65.1 mt -90.63 145.48 24.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 2.14 111.052 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 7.3 t -70.02 147.15 95.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.792 -0.64 . . . . 1.69 109.349 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.667 ' O ' ' HG3' ' A' 2060 ' ' GLN . 66.1 Cg_exo -37.2 -48.85 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.867 3.045 . . . . 1.09 114.066 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.85 -40.68 95.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 2.45 111.134 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.38 -42.39 96.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.29 -0.633 . . . . 2.21 109.29 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.638 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 90.0 mt-30 -54.61 -43.12 71.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.803 -1.09 . . . . 1.5 110.656 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' A' 2056 ' ' PRO . 18.3 mt-30 -59.25 -60.81 3.26 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 115.779 -0.646 . . . . 1.24 110.245 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.493 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 41.8 mt-30 -52.61 -36.44 56.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 1.89 111.704 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.575 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.8 m -53.02 -57.11 11.48 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.432 -0.804 . . . . 1.24 111.581 171.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.7 pp -80.63 -18.39 48.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.917 0.865 . . . . 1.88 109.458 -174.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -65.66 -45.76 81.73 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.917 -1.492 . . . . 1.08 108.511 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -65.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.206 -1.361 . . . . 1.08 110.409 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -55.61 27.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.985 -0.746 . . . . 2.03 108.985 173.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' 2063 ' ' LEU . 75.1 t -52.45 -49.25 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.39 -0.823 . . . . 1.09 110.63 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.484 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -60.54 -49.8 76.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.537 -1.21 . . . . 1.03 111.827 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.83 -32.14 72.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.091 0.472 . . . . 1.09 110.895 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.76 85.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.614 -0.721 . . . . 1.04 110.346 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.8 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.17 -26.24 25.25 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.178 -0.609 . . . . 1.07 110.422 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.516 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.38 -44.26 54.81 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.187 -0.672 . . . . 1.07 109.187 167.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 81.8 m -71.55 -49.21 42.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.428 -0.805 . . . . 1.17 110.892 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.38 -42.35 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 113.189 0.811 . . . . 1.15 113.189 -176.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.8 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.0 mt -79.22 -24.54 43.04 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.377 0.608 . . . . 1.18 109.935 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.47 55.42 1.45 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.35 -0.841 . . . . 0.93 112.864 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.47 -5.0 0.44 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.328 0.492 . . . . 1.23 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.516 ' C ' ' HB1' ' A' 2072 ' ' ALA . 76.4 m-70 68.48 -34.0 0.25 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.311 1.597 . . . . 1.56 115.311 169.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.8 p -80.16 123.67 83.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.502 0.927 . . . . 2.1 113.502 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 2079 ' ' THR . 5.4 Cg_exo -83.62 -15.76 7.12 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.807 3.005 . . . . 0.56 111.156 174.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.56 -19.71 45.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.735 -0.666 . . . . 1.54 110.663 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.4 t -93.87 22.07 6.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 1.02 109.935 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.484 HG13 ' HB3' ' A' 2068 ' ' ALA . 11.4 mm -105.14 111.71 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.561 -0.745 . . . . 1.03 110.422 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 112.23 34.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.546 -0.297 . . . . 0.86 110.558 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.503 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 22.4 Cg_endo -67.21 -28.9 39.9 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 C-N-CA 122.55 2.167 . . . . 0.18 112.62 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.32 55.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.64 -0.709 . . . . 0.98 111.076 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 47.7 m -82.2 148.68 28.31 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.535 0.683 . . . . 1.03 109.285 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.408 ' HA ' HG23 ' A' 2124 ' ' THR . . . -82.56 142.17 32.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.797 -1.092 . . . . 1.06 109.583 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -49.1 -35.71 16.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.205 -0.907 . . . . 0.16 112.007 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.614 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.41 -64.8 0.7 Allowed 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 123.556 0.535 . . . . 2.13 110.574 174.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.447 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.8 t70 -55.58 -31.86 62.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 2.27 111.009 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' 2089 ' ' PHE . 79.3 mt -72.34 -18.11 61.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.807 -0.633 . . . . 1.06 112.048 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.84 9.23 7.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.397 -0.906 . . . . 0.22 113.708 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.59 HG23 HG23 ' A' 2119 ' ' ILE . 2.9 mm -76.27 129.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.249 0.547 . . . . 1.1 112.329 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.48 179.63 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.601 -0.727 . . . . 1.86 109.191 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 50.0 m -59.93 -34.02 72.67 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.357 0.526 . . . . 1.67 111.253 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.724 ' O ' ' HB3' ' A' 2100 ' ' LEU . 0.0 OUTLIER -64.0 -62.87 1.35 Allowed 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.628 0.771 . . . . 2.14 109.722 178.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.46 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.6 OUTLIER -64.05 -26.73 68.69 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 113.976 1.102 . . . . 1.07 113.976 179.139 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.506 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.45 -20.4 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.007 0.908 . . . . 1.06 109.58 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.724 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.2 OUTLIER -87.74 -48.29 7.98 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.275 -1.329 . . . . 1.73 108.595 177.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.523 ' N ' HD11 ' A' 2100 ' ' LEU . 24.6 mt-10 -56.52 -37.2 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.193 -0.912 . . . . 0.46 111.803 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.94 -61.74 2.32 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.458 -0.337 . . . . 1.76 111.178 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -47.99 -44.88 30.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.254 -0.885 . . . . 2.66 110.912 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.44 111.84 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.9 m -80.3 -43.45 21.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.926 0.393 . . . . 1.07 110.911 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.89 -46.87 73.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.116 -0.493 . . . . 2.08 111.864 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 2.0 t -67.3 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.397 0.618 . . . . 1.15 109.872 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.58 -48.96 52.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 1.66 110.173 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.8 -45.08 83.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.083 -0.962 . . . . 0.45 112.6 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.49 ' HB ' HD22 ' A' 2136 ' ' LEU . 38.5 p -75.32 -25.94 58.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.28 0.562 . . . . 1.1 109.761 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.56 0.85 83.92 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.105 -0.952 . . . . 0.36 111.934 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.507 ' CD2' HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -98.58 -160.35 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.455 -0.572 . . . . 1.23 109.455 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2113 ' ' ASP . . . . . 0.5 ' HA ' ' OG1' ' A' 2107 ' ' THR . 21.0 t70 -136.41 117.72 14.61 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.495 -0.775 . . . . 0.43 110.175 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.09 157.54 50.5 Favored Pre-proline 0 C--N 1.304 -1.393 0 CA-C-N 114.104 -1.407 . . . . 1.84 110.076 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' 2118 ' ' LEU . 83.5 Cg_endo -77.08 148.39 27.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.849 2.366 . . . . 0.39 111.854 174.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.73 -11.45 30.74 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.435 2.09 . . . . 0.52 111.153 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -91.98 6.23 47.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.477 -0.783 . . . . 1.12 111.93 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' 2115 ' ' PRO . 13.2 mt -37.72 -63.69 0.44 Allowed 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.598 0.713 . . . . 1.5 112.353 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.59 HG23 HG23 ' A' 2094 ' ' ILE . 6.4 mm -57.57 -24.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.113 -1.403 . . . . 1.07 111.792 -175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.07 -29.52 18.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.45 111.328 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.51 -32.02 20.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 1.34 110.881 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -140.77 79.8 18.73 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 108.609 -0.886 . . . . 0.52 108.609 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.718 ' O ' HG22 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.95 103.39 0.22 Allowed 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 121.864 1.71 . . . . 0.31 113.153 -172.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.718 HG22 ' O ' ' A' 2123 ' ' PRO . 4.8 p 167.87 157.23 0.14 Allowed Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 128.126 2.571 . . . . 1.03 104.766 160.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.503 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.1 -37.22 96.71 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 CA-C-N 121.528 1.581 . . . . 0.14 110.132 170.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 46.0 t60 -64.49 -48.95 73.27 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.789 -0.642 . . . . 0.5 111.395 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.33 -40.57 71.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.041 0.448 . . . . 1.0 110.961 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' 2128 ' ' LEU . 41.3 mt -75.14 -35.91 61.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.215 -0.448 . . . . 0.98 111.645 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 99.4 m -59.22 -30.93 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.648 0.737 . . . . 1.08 109.468 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.6 mm100 -78.87 -42.06 28.31 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.117 -0.947 . . . . 1.66 110.878 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.435 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.0 t60 -71.06 -52.05 21.69 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.41 110.814 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 25.7 mt -63.93 -27.94 69.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 1.72 111.721 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2133 ' ' HIS . . . . . 0.416 ' HB2' HD23 ' A' 2063 ' ' LEU . 16.1 t-80 -66.94 -42.83 84.62 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.894 -0.78 . . . . 0.35 108.894 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' 2138 ' ' GLN . 30.9 m -62.25 -46.97 86.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.533 -0.758 . . . . 1.15 109.934 176.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' 2131 ' ' HIS . 14.1 mmm180 -57.68 -48.75 78.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.631 . . . . 1.97 112.412 -178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' 2112 ' ' LEU . 89.4 mt -65.49 -22.81 66.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.755 0.65 . . . . 1.61 112.755 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' 2047 ' ' SER . 58.1 p -103.51 -31.11 10.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.649 0.611 . . . . 1.11 112.649 -172.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' 2134 ' ' THR . 24.4 mm-40 -70.16 109.37 4.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.522 0.677 . . . . 2.43 111.113 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 2.6 p -133.51 117.63 17.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.057 -0.974 . . . . 3.29 109.924 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.182 -0.913 . . . . 7.72 110.007 -178.054 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.769 -0.532 . . . . 6.46 111.769 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 12.6 m -73.55 -35.86 65.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.503 . . . . 6.57 110.457 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 25.8 m80 -88.8 168.15 12.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 3.86 110.296 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.578 ' C ' ' H ' ' A' 2051 ' ' LEU . 10.5 ttt -81.32 37.47 0.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.072 -0.967 . . . . 2.18 111.565 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -42.93 9.1 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.029 1.862 . . . . 9.83 116.029 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 2051 ' ' LEU . 30.2 tp -42.74 41.1 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 126.846 2.058 . . . . 2.8 114.927 169.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.04 151.5 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.106 -0.996 . . . . 4.72 110.162 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.23 -30.62 7.81 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.095 -0.574 . . . . 2.06 112.05 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.89 155.52 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.132 -0.322 . . . . 2.14 110.132 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 16.6 m -60.1 140.34 90.83 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.887 -0.597 . . . . 1.69 109.417 172.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' 2060 ' ' GLN . 85.3 Cg_exo -40.06 -50.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.28 2.654 . . . . 1.09 112.873 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 50.6 tt0 -62.96 -38.96 93.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 2.45 111.441 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.98 -43.86 98.22 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.181 0.515 . . . . 2.21 109.622 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2059 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.855 . . . . 1.5 110.089 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -61.0 -59.15 5.82 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 116.071 -0.513 . . . . 1.24 110.263 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.479 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 92.1 mt-30 -50.92 -35.37 32.78 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.305 0.378 . . . . 1.89 111.601 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 86.6 m -58.22 -55.41 35.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.788 -0.642 . . . . 1.24 111.296 173.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.3 pp -77.79 -19.04 55.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.015 0.912 . . . . 1.88 109.519 -176.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.06 -48.86 64.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.989 -1.46 . . . . 1.08 108.329 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.4 m -62.48 -35.07 78.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 113.871 -1.513 . . . . 1.08 110.304 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -58.13 -61.91 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.644 -0.872 . . . . 2.03 108.644 175.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' 2063 ' ' LEU . 62.2 t -53.64 -45.89 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.779 -1.1 . . . . 1.09 111.087 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.404 ' HA ' HG23 ' A' 2083 ' ' ILE . . . -66.13 -46.52 77.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.344 -0.844 . . . . 1.03 111.797 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.76 71.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 1.09 110.509 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.05 88.98 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.501 -0.772 . . . . 1.04 110.257 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.733 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -85.87 -23.63 27.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.291 -0.564 . . . . 1.07 110.383 -177.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -52.83 -46.05 67.6 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.199 -0.667 . . . . 1.07 109.199 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.0 m -65.32 -50.18 66.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.686 -1.143 . . . . 1.17 110.675 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.2 t -62.65 -44.49 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.067 -0.97 . . . . 1.15 113.25 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.9 mt -75.82 -29.95 58.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.759 0.314 . . . . 1.18 110.591 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 113.29 49.11 0.57 Allowed Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.322 -0.942 . . . . 0.93 113.944 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.3 -10.23 0.74 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.66 0.615 . . . . 1.23 112.66 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 89.5 m-70 71.05 -49.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.232 0.827 . . . . 1.56 113.232 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.4 t -89.5 144.03 31.48 Favored Pre-proline 0 C--O 1.241 0.638 0 CA-C-O 121.957 0.885 . . . . 2.1 112.115 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.461 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 1.5 Cg_endo -86.36 2.61 7.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 125.326 4.017 . . . . 0.56 111.43 -178.217 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -74.07 -4.45 35.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.374 -0.83 . . . . 1.54 110.581 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 44.8 t -118.73 18.74 13.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 1.02 110.034 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' 2080 ' ' PRO . 14.3 mm -102.22 103.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.98 -0.555 . . . . 1.03 110.783 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 15.9 m -79.87 115.72 56.03 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.148 -0.478 . . . . 0.86 109.883 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.495 ' O ' ' HB ' ' A' 2124 ' ' THR . 18.9 Cg_endo -65.43 -28.78 54.03 Favored 'Trans proline' 0 CA--C 1.513 -0.571 0 C-N-CA 122.596 2.197 . . . . 0.18 112.494 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.28 53.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.718 -0.674 . . . . 0.98 111.113 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.44 ' O ' HG22 ' A' 2124 ' ' THR . 31.2 m -74.08 145.64 44.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.05 -0.722 . . . . 1.03 109.05 174.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.01 145.65 26.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.159 -0.928 . . . . 1.06 110.213 -177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.499 ' HB3' HG13 ' A' 2094 ' ' ILE . 44.2 m-85 -44.3 -40.43 5.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.135 -0.938 . . . . 0.16 111.204 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -45.35 -67.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 2.13 111.726 172.789 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.9 -27.67 66.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 2.27 111.66 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.51 -15.03 58.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.981 -0.554 . . . . 1.06 112.04 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.34 17.16 5.8 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.196 -1.002 . . . . 0.22 113.903 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.527 HG23 HG22 ' A' 2119 ' ' ILE . 0.5 OUTLIER -77.37 133.74 30.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 117.222 0.511 . . . . 1.1 112.092 178.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -110.34 179.99 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.722 -0.672 . . . . 1.86 109.3 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 57.5 p -63.22 -33.31 75.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.356 0.598 . . . . 1.67 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' 2100 ' ' LEU . 50.6 mt -69.08 -48.45 62.64 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.081 -0.963 . . . . 2.14 110.47 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.472 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -75.08 -26.46 59.36 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.32 -0.854 . . . . 1.07 112.98 178.114 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.53 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.21 -21.04 58.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.061 0.934 . . . . 1.06 109.423 171.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.728 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.4 OUTLIER -84.42 -49.84 8.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.104 -1.407 . . . . 1.73 108.507 178.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.483 ' N ' HD11 ' A' 2100 ' ' LEU . 25.7 mt-10 -55.23 -43.14 74.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.808 -1.087 . . . . 0.46 112.082 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' 2071 ' ' THR . 5.8 mt -53.77 -67.17 0.28 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.88 0.371 . . . . 1.76 111.811 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.1 OUTLIER -50.53 -34.11 24.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.236 -0.893 . . . . 2.66 110.732 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' 2103 ' ' ARG . 36.2 m-20 -59.59 -52.15 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.44 111.151 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.5 m -66.21 -39.09 89.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.98 0.419 . . . . 1.07 110.776 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' 2102 ' ' LEU . 6.9 mp -64.65 -54.22 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.896 -0.593 . . . . 2.08 111.558 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.9 t -64.9 -28.12 69.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 1.15 110.161 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.8 t60 -66.29 -53.18 39.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.518 -0.764 . . . . 1.66 110.215 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.8 -44.3 86.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.922 -1.036 . . . . 0.45 112.736 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.555 ' HA ' ' HB2' ' A' 2049 ' ' MET . 54.7 p -76.18 -24.45 54.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.768 0.794 . . . . 1.1 109.435 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.18 3.1 89.11 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.878 -1.056 . . . . 0.36 112.094 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.77 -157.8 0.53 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.259 0.552 . . . . 1.23 109.881 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -135.2 123.94 23.8 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.869 -1.06 . . . . 0.43 109.315 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.437 ' HB3' HD11 ' A' 2118 ' ' LEU . 72.7 mt -128.72 151.62 77.42 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.366 -0.833 . . . . 1.84 111.833 -169.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' 2118 ' ' LEU . 80.4 Cg_endo -80.57 155.83 21.38 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.16 2.574 . . . . 0.39 111.407 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.466 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.2 Cg_endo -77.94 -0.36 10.59 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.937 1.758 . . . . 0.52 111.432 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -96.06 -0.22 50.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.007 -0.542 . . . . 1.12 112.018 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' 2114 ' ' LEU . 30.9 mt -40.28 -62.37 0.76 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.737 0.78 . . . . 1.5 112.153 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.6 mm -57.67 -22.61 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.77 -1.559 . . . . 1.07 111.742 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -90.27 -33.32 16.18 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.45 111.698 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.26 -41.1 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.17 0.509 . . . . 1.34 111.554 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -128.22 74.76 79.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.251 -1.018 . . . . 0.52 108.251 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.721 ' O ' HG21 ' A' 2124 ' ' THR . 44.5 Cg_endo -92.28 102.31 0.19 Allowed 'Trans proline' 0 N--CA 1.433 -2.032 0 C-N-CA 121.622 1.548 . . . . 0.31 112.372 -170.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.721 HG21 ' O ' ' A' 2123 ' ' PRO . 2.1 p 168.97 157.05 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 127.736 2.414 . . . . 1.03 105.158 163.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.423 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 46.6 Cg_exo -55.96 -38.73 94.24 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 CA-C-N 120.828 1.332 . . . . 0.14 109.91 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.489 ' O ' ' HG3' ' A' 2130 ' ' GLN . 66.8 t60 -66.72 -46.46 75.41 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.5 112.022 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.85 73.3 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.082 0.468 . . . . 1.0 110.756 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 39.9 mt -75.81 -29.18 58.59 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.98 111.442 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.456 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 55.0 m -61.85 -26.06 67.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.611 0.719 . . . . 1.08 109.211 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.8 mt-30 -80.91 -52.16 7.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.28 -0.873 . . . . 1.66 110.245 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.581 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.8 t60 -58.92 -54.09 51.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.286 -0.415 . . . . 0.41 111.502 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' 2114 ' ' LEU . 2.1 mm? -64.28 -29.1 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.871 0.323 . . . . 1.72 111.871 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2133 ' ' HIS . . . . . 0.458 ' O ' HG21 ' A' 2137 ' ' THR . 11.3 t-160 -68.39 -46.04 71.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.35 109.252 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 42.0 m -64.7 -45.75 85.27 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.351 -0.386 . . . . 1.15 110.878 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.1 mmp_? -49.04 -49.32 41.88 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.847 0.356 . . . . 1.97 111.666 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.455 HD12 ' SD ' ' A' 2049 ' ' MET . 97.1 mt -65.3 -38.58 90.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.089 -0.505 . . . . 1.61 112.171 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.458 HG21 ' O ' ' A' 2133 ' ' HIS . 82.5 p -78.2 -27.01 47.79 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.943 0.401 . . . . 1.11 111.597 -176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -81.79 141.78 33.19 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.088 -0.505 . . . . 2.43 109.66 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 38.7 p 48.01 62.04 2.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.671 0.748 . . . . 3.29 110.95 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.03 -0.986 . . . . 7.72 109.758 -176.848 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.752 -0.539 . . . . 6.46 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 6.0 p -148.92 125.24 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 6.57 110.971 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' 2050 ' ' ARG . 33.7 m80 -125.43 166.08 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.511 0.672 . . . . 3.86 110.901 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.567 ' C ' ' H ' ' A' 2051 ' ' LEU . 10.5 ttt -87.47 34.47 0.7 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.741 -1.118 . . . . 2.18 110.274 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' 2048 ' ' HIS . 7.0 mtt180 -41.47 10.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 127.542 2.337 . . . . 9.83 117.212 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' 2051 ' ' LEU . 20.9 tp -46.14 40.22 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 126.612 1.965 . . . . 2.8 115.904 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.27 151.39 25.63 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.752 -1.217 . . . . 4.72 109.739 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.14 7.61 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.269 -0.732 . . . . 2.06 111.269 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.11 151.71 42.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.467 -0.568 . . . . 2.14 109.467 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 6.7 m -61.95 139.32 95.77 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.849 -0.797 . . . . 1.69 108.849 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.725 ' O ' ' HG3' ' A' 2060 ' ' GLN . 28.6 Cg_exo -39.27 -50.54 2.81 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 123.252 2.634 . . . . 1.09 113.55 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.35 -39.22 86.37 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.244 0.34 . . . . 2.45 111.345 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.1 -43.93 91.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.368 0.604 . . . . 2.21 109.827 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.588 ' O ' ' HB ' ' A' 2062 ' ' THR . 43.1 mt-30 -66.69 -39.47 88.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.293 -0.867 . . . . 1.5 110.272 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.725 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.0 mt-30 -60.35 -58.58 7.89 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.112 -0.495 . . . . 1.24 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.508 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 56.6 mt-30 -54.48 -33.58 60.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.092 0.473 . . . . 1.89 111.573 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.9 m -53.15 -52.15 59.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.575 -0.739 . . . . 1.24 110.794 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.03 -23.77 41.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.775 0.798 . . . . 1.88 109.709 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.508 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -67.46 -32.05 72.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.391 -1.277 . . . . 1.08 108.858 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.1 m -85.64 -34.96 21.22 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.679 -1.601 . . . . 1.08 110.249 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -59.59 5.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.57 0.7 . . . . 2.03 109.304 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.512 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 55.5 t -55.76 -41.41 65.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.196 . . . . 1.09 110.897 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.468 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -64.76 -47.56 77.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.796 -1.093 . . . . 1.03 111.159 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.512 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.83 -31.55 70.97 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.116 0.484 . . . . 1.09 110.992 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.531 -0.759 . . . . 1.04 110.372 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.771 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -87.07 -24.81 24.45 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 119.869 -0.733 . . . . 1.07 110.598 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -50.71 -45.52 58.45 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.275 -0.639 . . . . 1.07 109.275 167.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.8 m -71.58 -48.95 44.96 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.296 -0.865 . . . . 1.17 110.803 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.665 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.31 -41.92 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 113.277 0.843 . . . . 1.15 113.277 -175.707 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.771 ' HG ' ' O ' ' A' 2071 ' ' THR . 8.9 mt -79.28 -24.29 43.0 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.199 0.523 . . . . 1.18 110.285 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.71 51.22 2.0 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.93 112.67 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.2 p80 -142.91 -3.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.625 -0.43 . . . . 1.23 111.843 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.52 ' C ' ' HB1' ' A' 2072 ' ' ALA . 36.3 m-70 66.52 -43.71 0.42 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.156 1.539 . . . . 1.56 115.156 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.3 p -73.4 123.47 89.49 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 113.599 0.963 . . . . 2.1 113.599 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.512 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.6 Cg_exo -84.37 -13.68 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.961 3.107 . . . . 0.56 110.761 174.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.93 -18.01 45.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.032 -0.986 . . . . 1.54 110.502 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.1 t -92.39 17.45 9.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.592 0.711 . . . . 1.02 110.067 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' 2068 ' ' ALA . 12.3 mm -102.68 124.57 56.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.729 -0.669 . . . . 1.03 110.61 -177.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 14.6 m -90.59 109.24 32.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.86 110.329 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.91 -26.78 51.43 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 C-N-CA 122.698 2.265 . . . . 0.18 112.583 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.65 -30.59 46.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.536 -0.756 . . . . 0.98 111.346 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.497 ' O ' HG23 ' A' 2124 ' ' THR . 33.1 m -75.12 146.91 40.98 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.45 0.643 . . . . 1.03 109.506 176.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -80.78 141.5 34.68 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.088 -0.96 . . . . 1.06 109.416 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.512 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 37.6 m-85 -46.35 -37.93 8.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.16 112.342 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.58 -64.73 0.72 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.263 0.554 . . . . 2.13 110.572 175.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.54 -30.87 65.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.843 -1.072 . . . . 2.27 111.274 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' 2089 ' ' PHE . 82.9 mt -71.06 -14.91 62.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 1.06 112.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.74 4.53 14.92 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.235 -0.983 . . . . 0.22 113.456 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.509 HG13 ' HB3' ' A' 2089 ' ' PHE . 6.1 mm -68.91 133.04 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.312 0.577 . . . . 1.1 112.485 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 30.7 t70 -110.42 167.98 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.159 -0.928 . . . . 1.86 108.794 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.2 m -52.45 -39.31 60.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.306 0.503 . . . . 1.67 111.926 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.3 tp -63.48 -55.35 24.81 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.132 0.573 . . . . 2.14 110.945 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.463 HG22 HG12 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.89 -25.96 63.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.878 0.696 . . . . 1.07 112.878 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.479 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.77 -24.64 64.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.871 0.843 . . . . 1.06 109.316 170.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -37.28 14.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.829 -1.078 . . . . 1.73 109.144 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' 2097 ' ' LEU . 27.8 mt-10 -65.54 -37.66 87.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.546 . . . . 0.46 110.882 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' 2106 ' ' LEU . 11.0 mt -55.43 -58.71 6.62 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.313 0.577 . . . . 1.76 110.055 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.0 tmt_? -48.14 -43.71 31.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.191 -1.368 . . . . 2.66 110.882 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.87 -44.14 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 0.44 111.359 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 62.6 m -75.31 -40.86 58.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 1.07 111.202 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 2102 ' ' LEU . 84.0 mt -68.4 -47.8 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 2.08 111.427 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.7 t -65.54 -27.02 68.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.31 0.576 . . . . 1.15 109.818 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.71 -52.44 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 1.66 110.411 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -60.32 -43.79 96.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.279 -0.873 . . . . 0.45 112.195 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.564 ' HA ' ' HB2' ' A' 2049 ' ' MET . 40.4 p -78.22 -28.01 47.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.457 0.646 . . . . 1.1 110.072 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.94 7.17 74.64 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.151 -0.932 . . . . 0.36 112.062 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.85 -158.94 0.7 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.295 0.569 . . . . 1.23 109.973 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -135.67 124.34 23.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.941 -1.027 . . . . 0.43 109.646 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.1 mt -133.6 155.13 80.84 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 115.172 -0.922 . . . . 1.84 111.47 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -81.09 154.03 19.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.309 2.673 . . . . 0.39 111.843 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.17 1.1 7.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.1 1.867 . . . . 0.52 111.551 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.6 p -96.14 -0.02 50.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.12 111.786 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 51.4 mt -38.15 -62.26 0.59 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.578 0.704 . . . . 1.5 112.065 173.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.482 HG21 HG22 ' A' 2094 ' ' ILE . 9.3 mm -57.03 -25.28 22.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 113.86 -1.518 . . . . 1.07 111.718 -175.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -90.41 -32.18 16.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.331 -0.395 . . . . 0.45 111.967 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.62 -33.21 21.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.297 0.57 . . . . 1.34 110.671 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -132.3 74.34 76.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.529 -0.915 . . . . 0.52 108.529 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.711 ' O ' HG22 ' A' 2124 ' ' THR . 19.6 Cg_endo -91.61 102.94 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.771 0 C-N-CA 122.032 1.821 . . . . 0.31 112.625 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.711 HG22 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.56 156.31 0.13 Allowed Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 127.853 2.461 . . . . 1.03 105.206 160.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.1 Cg_exo -55.93 -37.44 95.99 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.356 1.52 . . . . 0.14 110.487 172.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.61 -43.16 76.99 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.5 111.618 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.45 75.52 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.959 0.409 . . . . 1.0 110.782 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.347 -0.388 . . . . 0.98 111.367 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 54.4 m -58.63 -31.96 68.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.095 -0.706 . . . . 1.08 109.095 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -80.35 -41.29 25.03 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.017 -0.992 . . . . 1.66 110.273 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.49 -53.89 36.03 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-N 116.413 -0.358 . . . . 0.41 111.404 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.42 HD13 HG21 ' A' 2110 ' ' THR . 2.1 mm? -61.55 -31.29 71.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.617 0.246 . . . . 1.72 111.167 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.58 -39.49 70.53 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.714 -0.476 . . . . 0.35 109.714 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 99.4 m -62.8 -51.12 68.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 1.15 110.257 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.445 ' HB3' HD12 ' A' 2112 ' ' LEU . 10.0 mmm180 -46.95 -56.46 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.722 0.638 . . . . 1.97 112.722 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.411 HD23 HD22 ' A' 2112 ' ' LEU . 79.8 mt -63.48 -38.74 92.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.173 -0.467 . . . . 1.61 112.215 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 76.5 p -81.2 -30.91 34.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.957 0.408 . . . . 1.11 111.349 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.87 128.5 36.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.931 -0.577 . . . . 2.43 111.188 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 22.8 m -90.63 147.64 23.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.056 -0.52 . . . . 3.29 110.17 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.381 -0.818 . . . . 7.72 109.596 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.782 -0.527 . . . . 6.46 111.782 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 22.2 t -86.91 78.95 8.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.132 -0.692 . . . . 6.57 109.132 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.527 ' HB3' ' CD1' ' A' 2136 ' ' LEU . 9.3 m80 59.4 -89.65 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.182 -0.917 . . . . 3.86 111.506 -174.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' 2109 ' ' ASN . 12.6 ttm -112.95 -81.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.378 -0.929 . . . . 2.18 112.435 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.541 ' O ' HD23 ' A' 2054 ' ' LEU . 32.5 mmt180 -109.56 -0.24 18.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.702 -1.135 . . . . 9.83 112.359 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.466 ' HG ' ' NE2' ' A' 2059 ' ' GLN . 6.5 mp -71.83 13.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.437 1.273 . . . . 2.8 114.437 -161.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -90.26 108.9 20.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.282 0.563 . . . . 4.72 110.605 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 99.12 -18.84 56.12 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.903 -0.665 . . . . 2.06 113.336 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' 2050 ' ' ARG . 3.2 mm? -88.43 143.17 27.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.622 . . . . 2.14 112.116 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 50.5 m -76.42 154.2 83.93 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.961 -1.018 . . . . 1.69 109.767 172.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.596 ' O ' ' HG3' ' A' 2060 ' ' GLN . 12.6 Cg_exo -36.7 -50.1 1.39 Allowed 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 124.614 3.543 . . . . 1.09 114.712 -177.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -64.7 -42.82 95.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.613 0.188 . . . . 2.45 111.075 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.562 ' HA ' HE21 ' A' 2058 ' ' GLN . 0.0 OUTLIER -60.19 -40.53 90.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.369 0.604 . . . . 2.21 109.449 175.394 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.635 ' O ' ' HB ' ' A' 2062 ' ' THR . 97.9 mt-30 -59.64 -40.9 89.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.047 -0.978 . . . . 1.5 110.266 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.6 mt-30 -62.21 -53.49 54.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.822 0.344 . . . . 1.24 110.45 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.522 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 49.2 mt-30 -52.5 -30.93 32.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.48 -0.782 . . . . 1.89 111.475 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.7 m -53.22 -57.28 11.03 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.378 -0.828 . . . . 1.24 111.722 174.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' 2059 ' ' GLN . 0.0 OUTLIER -72.28 -35.89 68.83 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 108.462 -0.94 . . . . 1.88 108.462 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -54.17 -42.14 69.29 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.643 -1.617 . . . . 1.08 109.706 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 33.1 m -78.41 -43.12 28.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.059 -1.428 . . . . 1.08 111.304 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.3 tp -57.13 -59.74 4.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.515 0.674 . . . . 2.03 110.975 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.459 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 53.3 t -52.98 -42.14 43.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.397 -1.274 . . . . 1.09 111.169 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.42 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -67.89 -46.88 70.4 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.426 -0.806 . . . . 1.03 111.051 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.505 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.46 -32.03 72.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.2 0.524 . . . . 1.09 110.626 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.72 86.97 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.49 -0.777 . . . . 1.04 110.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.783 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.0 t -86.79 -25.01 24.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.853 -0.739 . . . . 1.07 110.439 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -51.79 -44.28 63.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.221 -0.659 . . . . 1.07 109.221 166.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.3 m -69.82 -49.84 48.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.267 -0.879 . . . . 1.17 110.792 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.659 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -60.95 -40.13 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 113.421 0.897 . . . . 1.15 113.421 -174.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -81.2 -22.05 39.15 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.253 0.549 . . . . 1.18 110.16 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 91.44 54.11 2.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.582 -0.736 . . . . 0.93 112.607 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.6 p80 -145.66 -6.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.621 -0.432 . . . . 1.23 111.944 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.543 ' C ' ' HB1' ' A' 2072 ' ' ALA . 29.1 m-70 67.18 -34.29 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.286 1.587 . . . . 1.56 115.286 171.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 13.6 p -79.05 122.36 84.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 113.582 0.956 . . . . 2.1 113.582 -175.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.505 ' HB3' ' N ' ' A' 2069 ' ' ALA . 3.6 Cg_exo -85.15 -17.97 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.925 3.083 . . . . 0.56 111.086 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.68 -18.9 56.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.448 -0.796 . . . . 1.54 110.342 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -94.61 21.01 7.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.366 0.603 . . . . 1.02 110.219 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.473 HD11 HG21 ' A' 2071 ' ' THR . 12.8 mm -104.63 111.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.522 -0.763 . . . . 1.03 110.352 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.0 m -79.96 113.16 35.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.86 110.624 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.495 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 27.5 Cg_endo -66.78 -27.39 44.37 Favored 'Trans proline' 0 CA--C 1.513 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.18 112.995 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.01 53.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.939 -0.573 . . . . 0.98 111.441 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 29.4 m -74.63 146.89 42.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.45 0.643 . . . . 1.03 109.394 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -83.42 143.56 30.2 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.001 -0.999 . . . . 1.06 109.612 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.488 ' HB3' HG13 ' A' 2094 ' ' ILE . 33.5 m-85 -49.37 -38.94 30.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.655 -0.702 . . . . 0.16 112.056 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.62 -63.24 1.14 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.219 0.533 . . . . 2.13 110.628 174.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.434 ' HB3' ' CG2' ' A' 2087 ' ' THR . 15.0 t70 -57.53 -30.79 65.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.038 -0.983 . . . . 2.27 111.048 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 88.7 mt -73.27 -17.96 61.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.734 -0.666 . . . . 1.06 112.33 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.77 4.24 9.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.079 -1.058 . . . . 0.22 113.458 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.511 HG23 HG22 ' A' 2119 ' ' ILE . 5.5 mm -69.54 129.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.111 0.782 . . . . 1.1 113.111 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -105.48 178.02 4.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.343 -0.844 . . . . 1.86 108.854 172.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 12.4 p -60.64 -42.95 97.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.085 0.469 . . . . 1.67 111.372 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' 2101 ' ' GLU . 11.4 tp -60.54 -54.1 49.48 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.57 -0.741 . . . . 2.14 110.893 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.471 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.7 OUTLIER -70.31 -26.54 63.83 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.039 0.755 . . . . 1.07 113.039 -179.012 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.452 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.13 -23.52 63.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.905 0.86 . . . . 1.06 109.521 170.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.82 -37.43 14.48 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.83 -1.077 . . . . 1.73 109.058 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.471 ' HG3' ' HA ' ' A' 2098 ' ' THR . 32.7 mt-10 -65.11 -36.87 85.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.072 -0.513 . . . . 0.46 111.37 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.451 ' O ' HD11 ' A' 2106 ' ' LEU . 12.8 mt -55.38 -61.44 2.33 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.285 0.564 . . . . 1.76 110.011 171.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.3 tmt_? -49.17 -40.1 31.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.413 -1.267 . . . . 2.66 111.248 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.7 m-20 -55.01 -51.94 64.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.44 110.827 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 8.4 m -67.83 -41.19 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.64 . . . . 1.07 110.498 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' 2102 ' ' LEU . 5.8 mp -60.52 -59.9 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 2.08 112.0 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.7 t -65.37 -27.92 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.998 0.427 . . . . 1.15 110.635 -174.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.7 -53.26 35.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.408 0.623 . . . . 1.66 110.136 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.601 ' O ' ' HG3' ' A' 2049 ' ' MET . 2.8 m-80 -64.93 -34.83 79.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.864 -1.062 . . . . 0.45 112.688 -176.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 32.9 p -83.78 -27.03 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.115 0.483 . . . . 1.1 111.01 -173.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.54 12.27 75.75 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.423 -0.808 . . . . 0.36 112.031 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -108.31 -160.08 0.71 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.316 0.579 . . . . 1.23 110.024 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -134.35 125.45 27.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.845 -1.07 . . . . 0.43 109.379 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 83.3 mt -133.56 152.66 79.47 Favored Pre-proline 0 C--N 1.309 -1.155 0 CA-C-N 115.148 -0.933 . . . . 1.84 110.879 -172.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.614 ' O ' ' HG ' ' A' 2118 ' ' LEU . 68.8 Cg_endo -79.75 150.72 21.5 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 123.135 2.556 . . . . 0.39 112.092 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.07 -0.32 8.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.277 1.985 . . . . 0.52 111.548 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 8.5 p -98.77 4.18 47.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.775 -0.648 . . . . 1.12 112.131 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' 2115 ' ' PRO . 49.9 mt -38.94 -63.02 0.56 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.522 0.677 . . . . 1.5 112.219 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.511 HG22 HG23 ' A' 2094 ' ' ILE . 6.9 mm -57.22 -23.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 113.978 -1.465 . . . . 1.07 111.784 -175.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -86.91 -31.12 20.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.258 -0.428 . . . . 0.45 111.706 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.23 -36.37 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.287 0.565 . . . . 1.34 111.014 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -126.06 72.16 70.18 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.659 -0.867 . . . . 0.52 108.659 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' 2124 ' ' THR . 14.4 Cg_endo -91.79 103.23 0.22 Allowed 'Trans proline' 0 N--CA 1.437 -1.824 0 C-N-CA 121.82 1.68 . . . . 0.31 112.838 -171.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.752 HG23 ' O ' ' A' 2123 ' ' PRO . 6.9 p 168.32 159.15 0.16 Allowed Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 128.031 2.532 . . . . 1.03 104.959 159.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -57.23 -37.11 98.82 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 CA-C-N 121.192 1.462 . . . . 0.14 110.21 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.605 ' O ' ' HG3' ' A' 2130 ' ' GLN . 70.2 t60 -67.27 -47.79 69.66 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.5 111.592 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.26 67.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.127 0.421 . . . . 1.0 110.801 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' 2128 ' ' LEU . 37.6 mt -76.32 -33.76 59.02 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.184 -0.462 . . . . 0.98 111.398 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 42.8 m -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.984 -0.747 . . . . 1.08 108.984 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -74.61 -47.24 33.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.109 -0.95 . . . . 1.66 110.097 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.09 -51.71 65.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.047 -0.524 . . . . 0.41 111.297 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' 2136 ' ' LEU . 2.2 mm? -63.28 -37.21 86.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 121.078 -0.249 . . . . 1.72 111.31 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.85 -32.66 73.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.124 -0.695 . . . . 0.35 109.124 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.7 m -69.94 -46.42 65.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 1.15 110.589 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.481 ' HB3' HD11 ' A' 2112 ' ' LEU . 7.8 mmm180 -62.87 -51.01 68.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.736 0.643 . . . . 1.97 112.736 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' 2132 ' ' LEU . 4.2 mm? -63.62 -17.89 63.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.057 0.762 . . . . 1.61 113.057 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 70.6 p -110.12 -53.9 2.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.683 0.754 . . . . 1.11 111.298 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' 2139 ' ' SER . 0.0 OUTLIER -100.79 158.74 15.74 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.462 -1.245 . . . . 2.43 110.554 -176.664 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2139 ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' 2138 ' ' GLN . 91.2 p 59.82 -162.97 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.613 0.765 . . . . 3.29 111.801 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.177 -0.916 . . . . 7.72 111.045 -175.842 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2046 ' ' GLY . . . . . 0.439 ' HA3' ' OE1' ' A' 2059 ' ' GLN . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.852 -0.499 . . . . 6.46 111.852 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 15.6 p -167.96 143.85 3.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.396 -0.224 . . . . 6.57 110.396 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -177.23 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 3.86 109.932 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.442 ' HG2' ' HG2' ' A' 2050 ' ' ARG . 39.1 ttp -110.76 -78.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 2.18 111.471 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.442 ' HG2' ' HG2' ' A' 2049 ' ' MET . 40.9 mmt180 -108.78 -1.55 19.21 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.987 -1.006 . . . . 9.83 111.709 174.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.493 HD23 HD13 ' A' 2136 ' ' LEU . 1.8 mm? -72.64 -18.0 61.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.64 0.607 . . . . 2.8 112.64 -163.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -56.38 112.37 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.999 0.428 . . . . 4.72 111.617 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.28 -22.6 22.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.924 -0.655 . . . . 2.06 112.478 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.9 mm? -92.94 155.74 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 2.14 110.88 -177.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 59.5 m -86.19 157.16 56.85 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.579 -0.737 . . . . 1.69 109.33 170.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.523 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.2 Cg_exo -36.27 -54.91 0.83 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 124.891 3.728 . . . . 1.09 115.529 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.49 -36.63 81.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 2.45 110.692 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 12.9 mm-40 -64.96 -40.27 94.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.575 -0.528 . . . . 2.21 109.575 174.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.576 ' O ' ' HB ' ' A' 2062 ' ' THR . 29.3 mt-30 -57.87 -40.78 81.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.302 -0.863 . . . . 1.5 110.259 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.643 ' O ' ' HG ' ' A' 2063 ' ' LEU . 18.9 mt-30 -60.16 -58.8 6.98 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.123 -0.49 . . . . 1.24 110.201 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.7 mt-30 -53.28 -35.85 60.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.029 0.443 . . . . 1.89 111.3 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.1 m -53.47 -55.31 26.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 1.24 111.339 172.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.36 -21.62 45.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.862 0.839 . . . . 1.88 109.465 -175.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.7 -43.71 92.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.995 -1.457 . . . . 1.08 108.553 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.6 m -70.28 -34.85 73.27 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 113.522 -1.672 . . . . 1.08 110.607 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -52.72 64.36 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.312 -0.625 . . . . 2.03 109.312 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' 2063 ' ' LEU . 58.2 t -56.75 -46.38 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.02 -0.991 . . . . 1.09 111.088 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.67 83.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.573 -0.74 . . . . 1.03 111.246 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.514 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 1.09 110.491 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.75 84.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.487 -0.779 . . . . 1.04 110.396 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.729 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -87.67 -20.48 26.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 119.908 -0.717 . . . . 1.07 110.524 -176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.34 52.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.876 -0.602 . . . . 1.07 109.764 169.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.7 m -65.89 -49.04 69.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.055 -0.975 . . . . 1.17 110.877 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.663 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -59.89 -45.73 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.285 -0.87 . . . . 1.15 112.963 -176.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.5 mt -76.47 -31.11 57.6 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.9 0.381 . . . . 1.18 111.012 -176.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 114.76 47.66 0.56 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.381 -0.914 . . . . 0.93 113.923 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' 2078 ' ' HIS . 0.2 OUTLIER -139.62 -17.14 1.0 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 117.416 0.608 . . . . 1.23 112.503 174.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' 2077 ' ' HIS . 31.1 m-70 70.55 -38.86 0.43 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.429 HG23 ' OE1' ' A' 2081 ' ' GLU . 1.3 t -90.82 142.01 27.29 Favored Pre-proline 0 C--O 1.238 0.477 0 CA-C-O 121.713 0.768 . . . . 2.1 111.93 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.514 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.0 Cg_endo -89.43 -0.17 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.341 1 C-N-CA 125.44 4.093 . . . . 0.56 112.601 -178.205 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2081 ' ' GLU . . . . . 0.429 ' OE1' HG23 ' A' 2079 ' ' THR . 1.3 pm0 -67.77 -10.55 53.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.664 -0.698 . . . . 1.54 110.771 -175.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 42.2 t -116.68 18.98 14.77 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.14 -0.936 . . . . 1.02 110.552 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.463 HD13 HG23 ' A' 2071 ' ' THR . 15.0 mm -100.29 111.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 1.03 110.659 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.2 m -87.32 113.65 54.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.86 110.4 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 17.7 Cg_endo -65.54 -29.45 52.75 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.747 2.298 . . . . 0.18 112.811 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.903 -0.589 . . . . 0.98 111.185 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.462 ' O ' HG23 ' A' 2124 ' ' THR . 35.3 m -76.38 148.42 37.38 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.336 -0.616 . . . . 1.03 109.336 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.01 143.31 29.86 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.341 -0.845 . . . . 1.06 109.662 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.506 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.6 m-85 -47.95 -39.47 19.39 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.745 0.653 . . . . 0.16 111.784 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.59 -63.2 1.07 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.689 -0.687 . . . . 2.13 111.375 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' 2087 ' ' THR . 13.8 t70 -57.81 -31.93 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 2.27 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' 2089 ' ' PHE . 83.9 mt -73.54 -15.02 61.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.57 -0.741 . . . . 1.06 112.303 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.12 0.99 11.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.126 -1.035 . . . . 0.22 113.618 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.2 mm -67.69 129.94 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.492 0.663 . . . . 1.1 112.495 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -103.88 168.89 8.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.983 -1.117 . . . . 1.86 107.983 172.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 11.5 t -58.73 -31.89 68.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.619 0.645 . . . . 1.67 110.848 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.5 mt -68.39 -53.64 22.51 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.168 0.509 . . . . 2.14 109.771 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.428 ' CG2' HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.16 -26.24 64.76 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.819 -0.628 . . . . 1.07 112.547 179.084 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.512 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.76 -23.89 65.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.998 0.904 . . . . 1.06 109.527 170.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.627 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.16 -37.06 14.44 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.627 -1.17 . . . . 1.73 108.884 178.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.5 mt-10 -67.49 -35.91 80.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 0.46 111.5 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' 2071 ' ' THR . 9.5 mt -55.65 -63.77 1.06 Allowed 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.116 0.484 . . . . 1.76 111.012 174.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' 2100 ' ' LEU . 2.3 ppt_? -54.95 -30.13 58.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.926 -1.034 . . . . 2.66 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 2101 ' ' GLU . 69.3 m-20 -58.73 -48.36 81.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 0.44 110.617 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 28.0 m -70.52 -41.45 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.07 110.637 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.468 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.9 mp -61.12 -57.78 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 2.08 111.683 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.498 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 6.0 t -60.59 -28.06 68.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.256 0.551 . . . . 1.15 110.495 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.1 t60 -73.7 -48.79 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.66 110.623 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.414 ' O ' ' HG3' ' A' 2049 ' ' MET . 5.1 m-80 -66.54 -40.92 89.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.297 -0.865 . . . . 0.45 112.181 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.506 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.0 p -80.32 -24.53 39.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.979 -0.555 . . . . 1.1 110.364 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.13 9.55 82.05 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.36 112.121 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -103.08 -159.3 0.72 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.116 0.484 . . . . 1.23 109.776 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2113 ' ' ASP . . . . . 0.498 ' HA ' ' OG1' ' A' 2107 ' ' THR . 23.5 t70 -134.91 125.73 27.28 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.976 -1.011 . . . . 0.43 109.415 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' 2118 ' ' LEU . 72.2 mt -131.28 149.6 74.1 Favored Pre-proline 0 C--N 1.307 -1.28 0 CA-C-N 115.233 -0.894 . . . . 1.84 110.696 -172.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.44 157.0 25.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.251 2.634 . . . . 0.39 112.134 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -75.53 2.88 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.318 2.012 . . . . 0.52 111.158 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 19.4 p -106.57 5.96 29.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.471 -0.786 . . . . 1.12 112.081 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' 2114 ' ' LEU . 17.7 mt -42.42 -63.53 0.75 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.446 0.641 . . . . 1.5 112.088 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.2 mm -56.58 -24.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.044 -1.435 . . . . 1.07 111.786 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -88.62 -32.26 18.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.45 111.697 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.46 -34.75 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.266 0.555 . . . . 1.34 110.603 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -131.77 77.08 73.23 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.373 -0.973 . . . . 0.52 108.373 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.652 ' O ' HG22 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.07 102.95 0.26 Allowed 'Trans proline' 0 N--CA 1.44 -1.634 0 C-N-CA 121.443 1.429 . . . . 0.31 112.623 -172.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.652 HG22 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 158.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 127.757 2.423 . . . . 1.03 105.294 160.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.5 Cg_exo -57.08 -36.87 99.37 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 121.2 1.464 . . . . 0.14 110.074 170.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 71.3 t60 -69.29 -43.07 74.59 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.874 -0.603 . . . . 0.5 112.039 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.6 76.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.161 0.505 . . . . 1.0 110.424 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' 2128 ' ' LEU . 28.0 mt -71.98 -28.76 63.63 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.005 -0.543 . . . . 0.98 111.4 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.44 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.3 m -61.43 -29.22 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 1.08 109.277 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.17 -44.81 19.19 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.283 -0.872 . . . . 1.66 110.171 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.24 -52.02 31.82 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.495 -0.321 . . . . 0.41 111.613 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.86 -28.78 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.753 0.279 . . . . 1.72 111.753 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -68.46 -39.73 81.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.278 -0.638 . . . . 0.35 109.278 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.0 m -64.23 -46.55 83.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.964 -0.562 . . . . 1.15 110.392 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.497 ' HB3' HD12 ' A' 2112 ' ' LEU . 11.0 mmm180 -62.12 -46.24 89.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.158 -0.473 . . . . 1.97 111.986 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' 2110 ' ' THR . 95.3 mt -74.07 -5.13 39.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.842 0.682 . . . . 1.61 112.842 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 39.1 p -110.33 -41.17 4.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.203 0.525 . . . . 1.11 111.116 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.92 108.84 3.65 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.493 -0.776 . . . . 2.43 111.186 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 11.5 p -141.15 30.9 1.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.818 0.818 . . . . 3.29 110.068 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 114.53 -1.213 . . . . 7.72 109.804 -178.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 112.132 -0.387 . . . . 6.46 112.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 49.6 m -76.35 -5.94 49.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.982 0.364 . . . . 6.57 111.982 -175.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 35.4 m80 63.92 -84.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.695 0.628 . . . . 3.86 112.695 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.517 ' HG2' ' HG2' ' A' 2050 ' ' ARG . 30.5 ttp -108.38 -78.99 0.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.337 0.866 . . . . 2.18 113.337 -169.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.517 ' HG2' ' HG2' ' A' 2049 ' ' MET . 28.5 mmt180 -107.18 -11.34 15.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 113.226 0.824 . . . . 9.83 113.226 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' 2059 ' ' GLN . 1.8 mm? -78.45 30.39 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.977 1.103 . . . . 2.8 113.977 -161.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -84.38 107.98 16.95 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.678 -0.409 . . . . 4.72 110.052 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 98.96 -2.73 58.31 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.855 -0.688 . . . . 2.06 113.619 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -100.46 138.77 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.475 0.638 . . . . 2.14 110.911 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 28.3 m -72.15 155.9 91.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.616 -0.72 . . . . 1.69 109.444 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.59 ' O ' ' HB2' ' A' 2059 ' ' GLN . 5.2 Cg_exo -36.7 -53.92 1.05 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 124.635 3.557 . . . . 1.09 115.549 -175.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -71.37 -35.42 71.09 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.139 -0.624 . . . . 2.45 110.845 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.88 -42.27 97.61 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.039 -0.726 . . . . 2.21 109.039 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' 2056 ' ' PRO . 93.4 mt-30 -53.55 -48.42 69.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.535 -1.212 . . . . 1.5 110.291 174.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.535 ' O ' ' HG ' ' A' 2063 ' ' LEU . 42.5 mt-30 -59.29 -54.28 48.58 Favored 'General case' 0 C--O 1.203 -1.362 0 CA-C-N 115.498 -0.774 . . . . 1.24 110.134 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.491 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 70.7 mt-30 -52.54 -38.69 60.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.913 0.387 . . . . 1.89 111.511 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.2 m -54.24 -55.45 27.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.645 . . . . 1.24 111.428 173.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.8 pp -80.49 -18.67 47.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.928 0.871 . . . . 1.88 109.63 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -66.01 -46.97 76.02 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.973 -1.467 . . . . 1.08 108.089 174.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 91.0 m -63.25 -38.79 92.54 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.595 -1.639 . . . . 1.08 110.306 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -54.91 41.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 2.03 109.254 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 2063 ' ' LEU . 55.7 t -57.3 -46.27 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.247 -0.888 . . . . 1.09 111.021 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.432 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -62.0 -48.02 82.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.265 -0.88 . . . . 1.03 111.35 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -32.65 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 1.09 110.748 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.64 92.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.62 -0.718 . . . . 1.04 110.501 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.778 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.4 -26.97 23.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 120.002 -0.679 . . . . 1.07 110.389 -176.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.512 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -44.33 59.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.977 -0.749 . . . . 1.07 108.977 166.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.9 m -70.39 -50.07 42.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.231 -0.895 . . . . 1.17 111.03 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.636 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.6 OUTLIER -59.43 -43.41 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.146 0.795 . . . . 1.15 113.146 -175.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.778 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.7 mt -78.47 -26.64 46.14 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.218 0.532 . . . . 1.18 110.139 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 95.2 47.34 2.63 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.381 -0.827 . . . . 0.93 112.76 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.401 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.0 p80 -137.31 -8.61 1.73 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 120.427 -0.509 . . . . 1.23 111.722 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.512 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.5 m-70 72.37 -30.59 0.21 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.269 1.581 . . . . 1.56 115.269 166.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.3 p -84.4 125.01 72.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 119.36 0.982 . . . . 2.1 113.393 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.1 Cg_exo -85.63 -13.05 6.12 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.919 3.079 . . . . 0.56 110.862 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.82 -13.22 51.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 1.54 110.379 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.1 t -100.83 19.33 17.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.45 0.643 . . . . 1.02 109.891 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.453 HD13 HG22 ' A' 2071 ' ' THR . 14.2 mm -100.53 115.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.505 -0.77 . . . . 1.03 109.913 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 13.9 m -84.65 110.47 27.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 0.86 110.331 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.49 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 25.7 Cg_endo -66.46 -27.67 46.61 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 C-N-CA 122.48 2.12 . . . . 0.18 112.585 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.68 -30.65 52.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.98 110.96 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.446 ' O ' HG23 ' A' 2124 ' ' THR . 63.0 m -74.98 148.53 39.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.188 -0.671 . . . . 1.03 109.188 175.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -82.86 144.29 30.19 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.974 -1.012 . . . . 1.06 109.654 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.495 ' HB3' HG13 ' A' 2094 ' ' ILE . 31.8 m-85 -49.14 -37.22 21.38 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.727 0.642 . . . . 0.16 111.873 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.579 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.08 -65.38 0.58 Allowed 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.917 -0.583 . . . . 2.13 110.865 174.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' 2087 ' ' THR . 23.5 t70 -57.77 -27.34 62.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.468 -0.787 . . . . 2.27 111.335 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' 2089 ' ' PHE . 84.9 mt -74.57 -14.5 60.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.854 -0.612 . . . . 1.06 112.018 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.39 0.79 14.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.322 -0.942 . . . . 0.22 113.583 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' 2089 ' ' PHE . 6.3 mm -66.62 132.19 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.883 0.697 . . . . 1.1 112.883 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -107.39 178.09 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.114 -0.948 . . . . 1.86 108.924 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.6 p -57.75 -39.66 77.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.176 0.512 . . . . 1.67 111.261 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' 2101 ' ' GLU . 51.9 mt -65.21 -53.94 37.06 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.395 -0.82 . . . . 2.14 110.24 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.472 HG21 HG13 ' A' 2074 ' ' VAL . 0.8 OUTLIER -71.06 -26.35 63.03 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.587 -0.733 . . . . 1.07 112.736 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.538 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.69 -24.32 65.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.012 0.91 . . . . 1.06 109.23 170.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -39.87 12.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.438 -1.256 . . . . 1.73 109.391 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.6 mt-10 -63.69 -36.39 83.7 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.826 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.1 mt -57.08 -59.32 5.25 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 121.251 0.548 . . . . 1.76 110.337 172.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -44.04 28.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.439 -1.255 . . . . 2.66 110.692 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -57.14 -53.38 58.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.909 -0.587 . . . . 0.44 111.493 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 95.1 m -66.88 -43.43 83.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.474 -0.33 . . . . 1.07 111.445 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 2102 ' ' LEU . 94.3 mt -64.81 -51.21 63.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.341 -0.39 . . . . 2.08 111.471 -177.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.65 -28.1 68.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.164 0.506 . . . . 1.15 110.183 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.87 -53.08 35.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 1.66 110.201 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -60.72 -49.5 77.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.45 112.006 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.49 ' HB ' HD23 ' A' 2136 ' ' LEU . 36.2 p -74.22 -21.72 59.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.37 0.605 . . . . 1.1 110.221 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.14 10.8 85.1 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.025 -0.989 . . . . 0.36 112.084 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.419 HD21 HD21 ' A' 2136 ' ' LEU . 0.0 OUTLIER -101.91 -160.17 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.362 0.601 . . . . 1.23 109.495 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.25 123.78 22.2 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.917 -1.038 . . . . 0.43 109.052 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 69.5 mt -129.95 154.98 81.27 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 114.825 -1.08 . . . . 1.84 111.007 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -80.76 148.46 17.72 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.151 2.567 . . . . 0.39 111.806 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.75 -2.47 11.47 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.03 1.82 . . . . 0.52 111.162 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.0 p -94.38 2.06 55.81 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.731 -0.668 . . . . 1.12 111.493 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' 2115 ' ' PRO . 16.9 mt -36.95 -67.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.812 0.671 . . . . 1.5 112.812 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.538 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.4 mm -56.7 -25.87 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 114.335 -1.302 . . . . 1.07 111.584 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -88.84 -32.64 17.7 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.241 -0.436 . . . . 0.45 111.751 -177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.64 -33.05 23.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.386 0.612 . . . . 1.34 110.631 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -133.87 78.23 60.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.55 -0.907 . . . . 0.52 108.55 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.687 ' O ' HG22 ' A' 2124 ' ' THR . 27.8 Cg_endo -91.56 102.68 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.826 0 C-N-CA 121.507 1.471 . . . . 0.31 112.56 -172.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.687 HG22 ' O ' ' A' 2123 ' ' PRO . 3.2 p 166.77 157.24 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 127.939 2.496 . . . . 1.03 105.055 160.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.49 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.8 Cg_exo -55.67 -39.34 91.64 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 CA-C-N 121.441 1.55 . . . . 0.14 109.986 171.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' A' 2130 ' ' GLN . 50.6 t60 -63.34 -46.88 84.55 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.628 -0.714 . . . . 0.5 111.65 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.61 77.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.998 0.428 . . . . 1.0 111.038 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' 2119 ' ' ILE . 44.4 mt -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.98 111.294 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.485 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 88.7 m -63.09 -25.03 68.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.615 0.721 . . . . 1.08 109.377 176.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.5 mt-30 -80.72 -47.44 13.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 1.66 109.75 176.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.2 t60 -65.47 -54.14 32.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.41 111.585 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.52 -27.69 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.6 0.222 . . . . 1.72 111.6 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2133 ' ' HIS . . . . . 0.407 ' CG ' ' HG2' ' A' 2060 ' ' GLN . 17.4 t-80 -69.57 -42.03 75.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.196 -0.668 . . . . 0.35 109.196 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.6 m -64.76 -30.89 71.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 1.15 111.339 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' 2131 ' ' HIS . 26.2 mmm180 -74.69 -48.58 25.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.173 0.511 . . . . 1.97 110.975 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.49 HD23 ' HB ' ' A' 2110 ' ' THR . 96.9 mt -75.93 -10.77 59.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 113.562 0.949 . . . . 1.61 113.562 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 71.3 p -110.51 -56.08 2.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.585 0.707 . . . . 1.11 111.073 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.13 129.2 36.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.801 -1.09 . . . . 2.43 110.16 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 15.2 m -83.34 116.09 22.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.92 -0.582 . . . . 3.29 110.669 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.866 -0.606 . . . . 7.72 111.337 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 112.025 -0.43 . . . . 6.46 112.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 37.0 t -165.46 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.043 0.449 . . . . 6.57 111.044 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 46.1 m80 -138.95 -177.84 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.009 -0.541 . . . . 3.86 110.371 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 37.1 ttp -28.85 -77.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.552 1.316 . . . . 2.18 114.552 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -105.73 -2.89 22.73 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.251 -0.886 . . . . 9.83 112.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.447 HD21 HD11 ' A' 2136 ' ' LEU . 1.2 mm? -92.83 39.53 1.04 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.665 -0.414 . . . . 2.8 112.049 -167.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.64 106.55 18.1 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.513 -0.551 . . . . 4.72 109.513 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.93 85.28 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 121.05 -0.595 . . . . 2.06 113.583 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.36 136.22 34.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 117.65 0.725 . . . . 2.14 111.339 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 25.6 m -75.91 156.09 84.51 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 1.69 109.964 174.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.486 ' O ' ' HG3' ' A' 2060 ' ' GLN . 20.6 Cg_exo -36.16 -49.35 1.2 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 124.569 3.513 . . . . 1.09 114.779 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.48 -44.89 89.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.664 0.268 . . . . 2.45 110.98 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -57.55 -42.34 82.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.464 . . . . 2.21 109.853 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.7 mt-30 -56.64 -41.5 77.26 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.32 -0.854 . . . . 1.5 110.738 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.0 mt-30 -57.38 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.691 -0.686 . . . . 1.24 110.69 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.507 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 51.0 mt-30 -53.72 -34.04 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.007 -0.542 . . . . 1.89 111.588 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' 2059 ' ' GLN . 54.3 m -49.53 -53.96 20.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.466 -0.788 . . . . 1.24 111.229 171.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' 2136 ' ' LEU . 14.6 mt -82.29 -23.29 35.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.441 0.639 . . . . 1.88 109.873 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -64.43 -30.36 71.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.6 -1.182 . . . . 1.08 108.55 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 94.0 m -87.04 -39.09 15.95 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 113.541 -1.663 . . . . 1.08 110.619 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.04 26.06 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.488 0.661 . . . . 2.03 109.644 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.41 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.9 t -57.27 -40.47 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 114.762 -1.108 . . . . 1.09 110.791 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.82 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.92 -1.036 . . . . 1.03 111.108 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.479 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.27 -29.6 69.95 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.142 0.496 . . . . 1.09 110.913 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.68 79.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.517 -0.765 . . . . 1.04 110.314 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.804 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.3 t -87.4 -26.1 23.47 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.072 -0.651 . . . . 1.07 110.079 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.552 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -49.57 -45.5 47.79 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.91 -0.774 . . . . 1.07 108.91 166.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 56.3 m -70.62 -50.14 40.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.962 -1.017 . . . . 1.17 110.892 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.633 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.1 -37.25 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 113.554 0.946 . . . . 1.15 113.554 -175.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.1 mt -86.07 -9.22 57.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.191 0.52 . . . . 1.18 110.544 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 80.65 47.19 6.88 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.662 -0.699 . . . . 0.93 113.158 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.552 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.4 p80 -138.44 -4.75 1.63 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.306 0.553 . . . . 1.23 112.025 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.491 ' C ' ' HB3' ' A' 2072 ' ' ALA . 85.2 m-70 68.82 -42.29 0.48 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.256 1.576 . . . . 1.56 115.256 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 8.5 p -76.05 123.9 88.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 113.68 0.992 . . . . 2.1 113.68 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.479 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.73 -16.98 5.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 124.042 3.161 . . . . 0.56 111.247 174.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.93 -18.16 54.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.763 . . . . 1.54 109.981 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.7 t -93.08 21.59 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 1.02 110.012 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.43 HD13 HG23 ' A' 2071 ' ' THR . 12.1 mm -106.8 122.51 60.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.659 -0.701 . . . . 1.03 110.481 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.2 m -92.48 110.41 44.76 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.225 -0.443 . . . . 0.86 110.076 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.505 ' O ' ' HB ' ' A' 2124 ' ' THR . 21.9 Cg_endo -65.75 -27.35 52.23 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 122.536 2.158 . . . . 0.18 112.605 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.79 -30.04 58.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.722 -0.672 . . . . 0.98 111.499 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.453 ' O ' HG21 ' A' 2124 ' ' THR . 30.6 m -74.65 147.07 41.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.17 -0.678 . . . . 1.03 109.17 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' 2124 ' ' THR . . . -81.85 143.76 31.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.169 -0.923 . . . . 1.06 109.534 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.52 ' HB3' HG13 ' A' 2094 ' ' ILE . 29.4 m-85 -48.09 -39.77 21.29 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 123.748 0.655 . . . . 0.16 111.927 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.501 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.3 -65.65 0.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.278 0.561 . . . . 2.13 111.067 173.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -64.57 -12.41 44.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 2.27 111.945 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.15 -13.97 42.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 1.06 111.792 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.8 1.45 11.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.276 -0.964 . . . . 0.22 113.365 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.9 mm -68.85 128.88 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.309 0.576 . . . . 1.1 112.435 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.11 179.58 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.566 -0.902 . . . . 1.86 108.566 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.3 m -62.96 -34.11 76.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.259 0.552 . . . . 1.67 110.408 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.724 ' O ' ' HB3' ' A' 2100 ' ' LEU . 11.7 tp -62.99 -55.25 27.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.574 -0.739 . . . . 2.14 111.115 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.451 HG22 HG13 ' A' 2074 ' ' VAL . 0.6 OUTLIER -72.76 -24.92 61.01 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 112.784 0.661 . . . . 1.07 112.784 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.96 -20.29 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.958 0.885 . . . . 1.06 109.603 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.724 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -86.66 -52.0 5.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.333 -1.303 . . . . 1.73 108.188 176.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.514 ' N ' HD12 ' A' 2100 ' ' LEU . 24.2 mt-10 -58.86 -40.19 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.791 -1.095 . . . . 0.46 112.408 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.03 -54.26 33.11 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-O 120.885 0.374 . . . . 1.76 110.246 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.88 -44.42 29.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.214 -0.903 . . . . 2.66 110.226 172.262 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -59.13 -48.21 82.46 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.504 -0.771 . . . . 0.44 110.913 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.8 m -63.29 -45.94 89.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.639 -0.255 . . . . 1.07 111.298 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.0 -43.49 91.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.467 0.175 . . . . 2.08 110.827 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 79.3 m -63.52 -37.48 87.45 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 121.202 0.525 . . . . 1.15 111.097 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -70.5 -27.53 64.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.418 0.628 . . . . 1.66 111.116 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -86.27 -50.58 6.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.292 -0.867 . . . . 0.45 111.831 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.42 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 40.3 p -77.19 -30.73 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 1.1 110.381 -172.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.72 7.84 83.65 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.258 -0.883 . . . . 0.36 111.801 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.2 OUTLIER -93.13 -159.6 0.69 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.244 0.545 . . . . 1.23 109.738 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.41 117.51 13.44 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.134 -0.939 . . . . 0.43 109.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.79 158.38 62.75 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.28 -1.327 . . . . 1.84 110.702 -173.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.521 ' O ' ' HG3' ' A' 2103 ' ' ARG . 83.6 Cg_endo -79.92 148.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.992 2.461 . . . . 0.39 111.97 174.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.12 -5.29 13.3 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.382 2.055 . . . . 0.52 111.622 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.2 p -93.07 1.45 57.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.956 -0.565 . . . . 1.12 111.667 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2115 ' ' PRO . 15.0 mt -38.93 -65.1 0.39 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.725 0.774 . . . . 1.5 112.214 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.513 HG13 ' HA ' ' A' 2099 ' ' ALA . 9.8 mm -61.12 -18.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.893 -1.503 . . . . 1.07 111.819 -173.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -90.41 -34.96 15.44 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.381 -0.372 . . . . 0.45 111.463 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.45 -37.15 20.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.324 0.583 . . . . 1.34 110.927 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -128.0 71.35 78.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.69 -0.856 . . . . 0.52 108.69 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.789 ' O ' HG23 ' A' 2124 ' ' THR . 9.9 Cg_endo -91.74 102.27 0.22 Allowed 'Trans proline' 0 N--CA 1.436 -1.876 0 C-N-CA 122.057 1.838 . . . . 0.31 111.985 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.789 HG23 ' O ' ' A' 2123 ' ' PRO . 6.7 p 169.63 151.51 0.14 Allowed Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 128.187 2.595 . . . . 1.03 104.38 163.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.486 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 47.0 Cg_exo -55.19 -35.98 92.2 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 CA-C-N 121.425 1.545 . . . . 0.14 110.548 173.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.486 ' O ' ' HG3' ' A' 2130 ' ' GLN . 68.1 t60 -66.32 -45.65 79.59 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.5 111.641 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.26 73.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.031 0.443 . . . . 1.0 111.096 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' 2119 ' ' ILE . 44.5 mt -75.22 -30.68 60.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.224 -0.444 . . . . 0.98 111.29 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.9 m -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.066 -0.716 . . . . 1.08 109.066 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.2 mt-30 -80.21 -52.94 7.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.312 -0.858 . . . . 1.66 110.172 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.7 t60 -64.21 -53.27 51.89 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.264 -0.426 . . . . 0.41 112.112 -174.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.9 -26.14 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.144 -0.222 . . . . 1.72 111.295 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.79 -42.45 73.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.203 -0.666 . . . . 0.35 109.203 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 44.7 m -62.14 -39.48 92.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 1.15 110.773 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' 2131 ' ' HIS . 13.0 mmm180 -65.85 -46.32 78.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.467 -0.333 . . . . 1.97 111.408 -176.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.447 HD11 HD21 ' A' 2051 ' ' LEU . 91.7 mt -74.22 -5.2 40.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 28.5 p -110.55 -37.4 5.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.034 0.445 . . . . 1.11 111.169 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.56 123.35 23.8 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.926 -0.579 . . . . 2.43 110.288 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 2.2 p -67.72 104.84 1.74 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.541 . . . . 3.29 111.135 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 67.5 m80 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.272 -0.871 . . . . 7.72 110.565 179.666 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.929 -0.469 . . . . 6.46 111.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 33.9 t 58.97 62.41 1.88 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.586 0.354 . . . . 6.57 110.376 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.462 ' CD2' ' HA3' ' A' 2111 ' ' GLY . 80.6 m80 67.49 174.46 0.26 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.449 0.643 . . . . 3.86 110.95 -178.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.669 ' C ' ' H ' ' A' 2051 ' ' LEU . 13.6 mtt -102.77 28.39 6.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.807 0.813 . . . . 2.18 109.836 174.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' 2052 ' ' ASN . 18.8 tpt180 -59.43 7.85 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 113.949 -1.478 . . . . 9.83 112.113 175.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.669 ' H ' ' C ' ' A' 2049 ' ' MET . 97.0 mt -21.79 48.05 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 129.345 3.058 . . . . 2.8 118.493 -164.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' 2050 ' ' ARG . 18.1 m120 -48.92 128.43 15.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.214 0.461 . . . . 4.72 110.155 171.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.67 -31.56 7.23 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.874 -0.603 . . . . 2.06 111.669 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.428 ' N ' HD21 ' A' 2054 ' ' LEU . 3.2 mm? -88.71 138.7 31.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.613 -0.514 . . . . 2.14 109.613 173.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.1 m -68.91 148.45 97.93 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.922 -0.581 . . . . 1.69 109.57 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.682 ' O ' ' HG3' ' A' 2060 ' ' GLN . 42.7 Cg_exo -41.44 -47.06 5.82 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 123.209 2.606 . . . . 1.09 113.582 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 35.5 tt0 -62.11 -37.9 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.561 0.219 . . . . 2.45 111.26 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 12.8 mm-40 -61.98 -45.91 91.57 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.383 0.611 . . . . 2.21 109.473 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.533 ' O ' ' HB ' ' A' 2062 ' ' THR . 93.2 mt-30 -60.29 -37.97 82.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.864 -1.062 . . . . 1.5 110.786 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.1 mt-30 -63.21 -57.96 8.77 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.421 -0.354 . . . . 1.24 110.216 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.518 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 45.8 mt-30 -53.92 -36.97 63.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 1.89 111.375 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' 2059 ' ' GLN . 98.3 m -49.54 -52.32 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 1.24 110.908 172.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.573 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 11.6 mt -79.91 -24.69 40.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.481 -0.782 . . . . 1.88 109.576 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.92 -41.83 82.02 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.466 -1.243 . . . . 1.08 109.387 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 53.7 m -79.04 -35.12 43.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.507 -1.224 . . . . 1.08 110.688 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 16.5 tp -58.78 -62.13 2.1 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.4 0.619 . . . . 2.03 110.808 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.48 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 51.9 t -51.6 -43.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.393 -1.276 . . . . 1.09 110.993 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.416 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.57 71.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.126 -0.943 . . . . 1.03 111.396 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.427 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.4 -32.7 71.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.094 0.473 . . . . 1.09 110.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.1 88.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.561 -0.745 . . . . 1.04 110.452 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.749 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.4 t -87.52 -20.42 26.53 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.135 -0.626 . . . . 1.07 110.194 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -55.05 -43.26 73.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.371 -0.603 . . . . 1.07 109.371 169.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.4 m -71.33 -49.26 44.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.09 -0.959 . . . . 1.17 110.425 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.667 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -60.0 -37.79 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 1.15 113.195 -174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.0 mt -84.42 -41.6 16.5 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.808 -0.557 . . . . 1.18 111.127 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 122.13 61.14 0.21 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.357 -0.925 . . . . 0.93 113.428 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.503 ' NE2' ' HB2' ' A' 2075 ' ' LEU . 0.2 OUTLIER -152.75 -26.5 0.16 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.808 0.304 . . . . 1.23 111.79 175.613 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 48.1 m-70 68.89 -6.48 0.87 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.831 0.678 . . . . 1.56 112.831 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.487 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.3 p -91.8 120.81 67.87 Favored Pre-proline 0 N--CA 1.452 -0.37 0 N-CA-C 112.834 0.679 . . . . 2.1 112.834 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.2 Cg_exo -84.83 -16.59 5.3 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 124.338 3.359 . . . . 0.56 110.887 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.54 -17.94 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.54 110.248 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 13.0 t -98.1 22.13 9.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 1.02 110.458 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.454 HD12 HG21 ' A' 2071 ' ' THR . 13.1 mm -107.22 115.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.555 . . . . 1.03 110.501 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.6 m -84.85 110.81 30.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.485 -0.325 . . . . 0.86 110.402 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.488 ' O ' ' HB ' ' A' 2124 ' ' THR . 24.8 Cg_endo -66.26 -27.08 48.54 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.704 2.269 . . . . 0.18 112.825 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.44 59.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.72 -0.673 . . . . 0.98 111.742 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.474 ' HB ' HD23 ' A' 2092 ' ' LEU . 36.0 m -78.65 148.08 33.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.378 -0.601 . . . . 1.03 109.378 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.01 141.08 36.26 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.144 -0.935 . . . . 1.06 109.603 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.529 ' HB3' HG13 ' A' 2094 ' ' ILE . 36.4 m-85 -45.53 -39.36 7.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.909 -1.041 . . . . 0.16 112.544 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.54 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.14 -64.79 0.7 Allowed 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.558 0.536 . . . . 2.13 110.603 175.276 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.6 -7.19 18.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.988 -1.006 . . . . 2.27 111.897 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.474 HD23 ' HB ' ' A' 2087 ' ' THR . 96.0 mt -89.86 -15.39 32.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 1.06 111.431 175.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.66 0.61 11.01 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.297 -0.954 . . . . 0.22 113.426 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.529 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -67.54 130.7 33.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.545 0.572 . . . . 1.1 112.545 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -103.52 178.65 4.5 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.706 -0.85 . . . . 1.86 108.706 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 31.0 m -65.93 -30.34 70.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.232 0.469 . . . . 1.67 111.18 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.64 -53.36 16.13 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.323 0.583 . . . . 2.14 110.098 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' 2101 ' ' GLU . 0.8 OUTLIER -70.53 -25.9 63.32 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.6 -0.727 . . . . 1.07 112.809 -178.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.489 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.23 -24.31 63.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.962 0.887 . . . . 1.06 109.543 169.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.634 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.05 -38.37 13.63 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.697 -1.138 . . . . 1.73 109.162 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' 2104 ' ' ASN . 26.0 mt-10 -65.9 -34.86 79.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.264 -0.425 . . . . 0.46 111.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' 2071 ' ' THR . 8.8 mt -56.41 -65.33 0.63 Allowed 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 116.315 -0.402 . . . . 1.76 111.284 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.5 OUTLIER -52.58 -33.27 45.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.871 . . . . 2.66 110.974 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.1 m-20 -55.73 -51.56 66.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.44 110.447 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -69.71 -42.4 74.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 1.07 110.88 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.3 mp -62.11 -55.02 33.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 2.08 111.75 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.6 t -65.73 -27.54 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.235 0.541 . . . . 1.15 110.132 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.13 -46.88 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 1.66 110.588 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.45 -39.58 74.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.018 -0.992 . . . . 0.45 112.417 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.511 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 40.5 p -80.46 -25.51 38.85 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.415 0.626 . . . . 1.1 109.848 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2111 ' ' GLY . . . . . 0.462 ' HA3' ' CD2' ' A' 2048 ' ' HIS . . . 83.31 1.31 90.38 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.016 -0.993 . . . . 0.36 111.186 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.511 ' CD1' ' HB ' ' A' 2110 ' ' THR . 10.5 mt -80.82 -170.2 2.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.595 -0.802 . . . . 1.23 110.478 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.53 123.01 27.1 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.607 -1.179 . . . . 0.43 108.753 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 56.8 mt -138.17 148.89 61.65 Favored Pre-proline 0 C--N 1.312 -1.053 0 CA-C-N 115.14 -0.936 . . . . 1.84 111.856 -168.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.424 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.2 Cg_endo -79.61 159.3 25.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.387 2.724 . . . . 0.39 111.897 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.49 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.8 Cg_endo -76.97 1.57 8.51 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.272 1.981 . . . . 0.52 111.236 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 15.5 p -98.69 2.15 46.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.703 -0.681 . . . . 1.12 111.572 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 2115 ' ' PRO . 18.5 mt -41.15 -62.43 0.84 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.352 0.596 . . . . 1.5 112.333 174.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.489 HG13 ' HA ' ' A' 2099 ' ' ALA . 10.0 mm -55.28 -25.72 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.212 -1.358 . . . . 1.07 111.473 -175.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.96 -31.34 17.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.09 -0.504 . . . . 0.45 111.663 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 -34.68 21.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.077 0.465 . . . . 1.34 111.013 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.99 77.9 61.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.14 -1.059 . . . . 0.52 108.14 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG21 ' A' 2124 ' ' THR . 29.7 Cg_endo -91.75 103.71 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.77 0 C-N-CA 121.801 1.668 . . . . 0.31 112.902 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.724 HG21 ' O ' ' A' 2123 ' ' PRO . 4.0 p 167.79 157.27 0.14 Allowed Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 127.783 2.433 . . . . 1.03 105.296 159.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.487 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.4 Cg_exo -55.36 -36.76 94.5 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 CA-C-N 121.45 1.554 . . . . 0.14 110.379 171.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.6 t60 -69.5 -45.44 68.91 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.5 111.788 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.4 69.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.01 0.434 . . . . 1.0 110.921 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 39.0 mt -74.11 -33.67 63.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.368 -0.378 . . . . 0.98 111.453 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 60.7 m -56.81 -29.44 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.11 -0.7 . . . . 1.08 109.11 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.5 mt-30 -80.16 -48.78 12.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.253 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.1 t60 -61.54 -53.31 57.97 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.346 -0.388 . . . . 0.41 111.535 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -57.14 -39.05 74.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.517 0.199 . . . . 1.72 111.073 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.68 -35.9 82.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.627 -0.509 . . . . 0.35 109.627 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' 2138 ' ' GLN . 27.8 m -70.15 -40.34 74.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.542 -0.754 . . . . 1.15 110.688 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 2131 ' ' HIS . 15.4 mmm180 -63.45 -33.86 76.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.211 0.529 . . . . 1.97 110.609 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.41 HD23 HD21 ' A' 2112 ' ' LEU . 67.0 mt -81.01 -25.65 37.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.523 -0.762 . . . . 1.61 112.026 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.0 p -97.2 -20.14 18.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 1.11 111.86 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' 2134 ' ' THR . 18.3 mt-30 -83.85 159.49 21.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.413 -0.358 . . . . 2.43 111.811 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 12.4 m 55.11 77.4 0.22 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.269 -0.878 . . . . 3.29 111.979 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 39.6 m170 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.87 -0.586 . . . . 7.72 110.435 177.52 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 112.003 -0.439 . . . . 6.46 112.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 3.3 m -57.72 -42.0 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.583 0.706 . . . . 6.57 109.3 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 52.4 m80 -130.27 -178.0 4.56 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.905 -1.043 . . . . 3.86 108.819 171.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.688 ' SD ' HD12 ' A' 2136 ' ' LEU . 1.5 ptm -43.47 -81.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.618 1.34 . . . . 2.18 114.618 -163.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -109.15 -7.32 15.33 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.433 -0.803 . . . . 9.83 110.786 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.623 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 6.9 mt -66.31 -10.13 39.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.425 0.898 . . . . 2.8 113.425 -162.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -71.11 113.92 8.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.54 0.686 . . . . 4.72 110.777 -177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 109.12 -30.94 8.11 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.421 -0.809 . . . . 2.06 112.085 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.6 mm? -83.99 140.71 31.71 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.887 0.375 . . . . 2.14 110.482 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.4 m -71.97 154.38 92.57 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.152 -0.684 . . . . 1.69 109.152 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.53 ' O ' ' HG3' ' A' 2060 ' ' GLN . 14.2 Cg_exo -36.37 -51.9 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.567 3.511 . . . . 1.09 115.231 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 30.4 tt0 -67.17 -38.83 86.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.051 0.453 . . . . 2.45 110.707 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 9.1 mm100 -63.38 -40.55 97.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.207 -0.664 . . . . 2.21 109.207 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.623 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 94.2 mt-30 -57.03 -42.01 79.63 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.253 -0.885 . . . . 1.5 110.699 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.582 ' O ' ' HG ' ' A' 2063 ' ' LEU . 41.9 mt-30 -58.95 -58.26 9.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 116.207 -0.451 . . . . 1.24 109.953 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.495 ' HA ' ' HB2' ' A' 2064 ' ' ALA . 76.9 mt-30 -56.57 -34.07 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 1.89 111.369 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' 2059 ' ' GLN . 53.4 m -53.67 -55.61 24.48 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.478 -0.783 . . . . 1.24 111.547 171.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -81.12 -18.9 44.85 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.925 0.869 . . . . 1.88 109.463 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' 2061 ' ' GLN . . . -65.48 -47.5 75.87 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.105 -1.407 . . . . 1.08 108.289 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.3 m -58.73 -39.82 82.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 113.835 -1.529 . . . . 1.08 110.224 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -60.05 4.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.828 -0.804 . . . . 2.03 108.828 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' 2063 ' ' LEU . 63.6 t -52.63 -45.09 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -0.999 . . . . 1.09 111.342 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.73 69.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.436 -0.802 . . . . 1.03 111.494 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -64.71 -27.0 68.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 1.09 110.569 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.0 71.14 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.423 -0.808 . . . . 1.04 110.19 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.831 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.7 t -84.2 -25.76 29.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.718 -0.793 . . . . 1.07 109.721 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -48.27 -48.0 35.91 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.021 -0.733 . . . . 1.07 109.021 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 93.0 m -72.41 -46.61 54.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.367 -0.833 . . . . 1.17 111.48 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.81 -40.57 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 112.998 0.74 . . . . 1.15 112.998 -177.39 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' A' 2071 ' ' THR . 12.0 mt -76.68 -36.18 57.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.253 0.549 . . . . 1.18 109.947 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 112.05 32.28 2.45 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.634 -0.793 . . . . 0.93 113.069 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' 2072 ' ' ALA . 29.7 p80 -122.04 -2.72 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.107 0.48 . . . . 1.23 111.505 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.415 ' C ' ' HB3' ' A' 2072 ' ' ALA . 64.8 m-70 70.41 -57.18 0.58 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.706 1.372 . . . . 1.56 114.706 168.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 2.7 t -87.82 145.04 35.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 119.363 -0.935 . . . . 2.1 111.817 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.38 -0.93 10.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.217 3.945 . . . . 0.56 111.839 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.19 -0.8 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 1.54 111.081 -176.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.5 t -118.87 15.23 13.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.429 -0.805 . . . . 1.02 110.078 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.443 HD13 HG22 ' A' 2071 ' ' THR . 24.8 mm -98.73 112.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 1.03 110.8 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -88.79 111.71 46.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.86 110.024 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.502 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 17.9 Cg_endo -64.27 -28.01 63.91 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.756 2.304 . . . . 0.18 112.67 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.63 -30.38 59.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.612 -0.722 . . . . 0.98 111.391 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.454 ' O ' HG21 ' A' 2124 ' ' THR . 39.6 m -76.5 147.87 37.53 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.402 0.62 . . . . 1.03 109.44 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -80.81 142.09 34.05 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.166 -0.924 . . . . 1.06 109.502 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.0 m-85 -47.83 -36.64 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.272 -0.876 . . . . 0.16 111.909 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.528 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.93 -65.95 0.48 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.978 -0.555 . . . . 2.13 110.846 174.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.03 -29.59 65.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 2.27 111.273 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' 2089 ' ' PHE . 84.6 mt -71.73 -15.99 62.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 1.06 111.969 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.98 1.46 10.52 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.251 -0.976 . . . . 0.22 113.741 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -66.34 130.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.419 0.628 . . . . 1.1 112.544 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 28.5 t70 -108.17 169.67 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.847 -1.07 . . . . 1.86 108.422 173.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 51.0 m -56.62 -32.76 65.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.904 0.774 . . . . 1.67 111.392 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.577 ' O ' ' HG3' ' A' 2101 ' ' GLU . 47.0 mt -69.08 -54.66 13.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.117 0.484 . . . . 2.14 109.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.449 HG21 HG12 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.33 -25.62 64.29 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.879 0.696 . . . . 1.07 112.879 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.95 -23.33 65.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.807 0.813 . . . . 1.06 109.363 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.89 -39.05 13.28 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.865 -1.061 . . . . 1.73 108.886 178.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.0 mt-10 -69.08 -34.87 75.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.46 111.367 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' 2106 ' ' LEU . 13.4 tp -64.33 -56.29 15.44 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 116.206 -0.452 . . . . 1.76 111.032 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' 2100 ' ' LEU . 1.4 ppt_? -56.59 -28.02 59.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.67 -0.695 . . . . 2.66 110.332 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' 2101 ' ' GLU . 51.1 m-20 -64.35 -48.68 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.792 0.329 . . . . 0.44 110.336 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.8 m -61.62 -41.78 97.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 1.07 110.58 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' 2102 ' ' LEU . 7.4 mp -60.55 -50.97 71.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.784 -0.644 . . . . 2.08 110.852 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.403 HG21 ' O ' ' A' 2112 ' ' LEU . 84.7 m -57.07 -41.39 78.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.255 0.55 . . . . 1.15 110.87 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.2 t60 -59.77 -49.84 76.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.398 -0.819 . . . . 1.66 110.918 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -71.89 -44.78 63.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.455 -0.793 . . . . 0.45 113.037 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.505 HG22 ' SD ' ' A' 2049 ' ' MET . 65.5 p -80.73 -26.73 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.163 0.506 . . . . 1.1 110.681 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.89 2.5 90.66 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.822 -0.704 . . . . 0.36 112.233 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.2 OUTLIER -90.25 -159.46 0.61 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.733 0.778 . . . . 1.23 110.45 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -131.15 123.83 29.38 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.029 -1.441 . . . . 0.43 109.084 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 54.0 mt -135.42 147.83 63.54 Favored Pre-proline 0 C--N 1.311 -1.081 0 CA-C-N 115.032 -0.986 . . . . 1.84 110.7 -171.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.87 157.74 20.98 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.501 2.801 . . . . 0.39 112.312 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.479 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -77.74 0.54 9.72 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.352 2.035 . . . . 0.52 111.382 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 11.0 p -101.52 1.84 38.46 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.457 -0.792 . . . . 1.12 110.944 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 14.5 tp -44.66 -57.39 3.7 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.669 0.788 . . . . 1.5 112.645 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.478 HG23 HG21 ' A' 2094 ' ' ILE . 20.6 mm -59.27 -23.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.248 -0.887 . . . . 1.07 111.478 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -90.2 -30.01 17.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.02 0.438 . . . . 0.45 111.35 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -77.89 -34.73 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.794 -0.639 . . . . 1.34 110.496 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.21 80.35 28.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.382 -0.826 . . . . 0.52 109.216 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.683 ' O ' HG23 ' A' 2124 ' ' THR . 18.8 Cg_endo -91.63 102.03 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.047 0 C-N-CA 121.844 1.696 . . . . 0.31 111.967 -174.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.683 HG23 ' O ' ' A' 2123 ' ' PRO . 2.6 p 167.24 152.79 0.1 Allowed Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 127.974 2.51 . . . . 1.03 104.713 161.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.502 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -55.6 -36.89 95.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 CA-C-N 121.391 1.532 . . . . 0.14 110.453 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 74.2 t60 -68.3 -43.78 76.91 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.5 111.84 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.3 -41.4 75.89 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.094 0.474 . . . . 1.0 110.741 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' 2132 ' ' LEU . 38.2 mt -73.14 -29.54 62.95 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.125 -0.489 . . . . 0.98 111.486 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.455 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 60.5 m -61.99 -27.54 68.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.538 0.685 . . . . 1.08 109.254 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -80.82 -47.83 13.3 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.354 -0.839 . . . . 1.66 110.198 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' 2135 ' ' ARG . 84.9 t60 -67.51 -50.85 56.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.339 -0.391 . . . . 0.41 111.804 -176.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.8 mm? -62.75 -29.81 70.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.647 0.24 . . . . 1.72 111.647 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -67.67 -37.91 83.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.864 -0.791 . . . . 0.35 108.864 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 61.3 m -68.27 -36.09 78.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.267 -0.878 . . . . 1.15 111.125 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.1 mmm180 -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 1.97 111.118 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.688 HD12 ' SD ' ' A' 2049 ' ' MET . 97.4 mt -73.26 -14.76 61.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.481 0.919 . . . . 1.61 113.481 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.0 p -110.57 -56.09 2.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 1.11 111.373 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.54 141.36 29.93 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.506 -0.77 . . . . 2.43 110.195 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 7.8 m -132.51 157.69 44.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.302 -0.408 . . . . 3.29 110.581 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 44.3 m80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.427 -0.797 . . . . 7.72 110.01 178.694 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.795 -0.522 . . . . 6.46 111.795 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.437 ' O ' ' HA3' ' A' 2111 ' ' GLY . 32.1 t -71.97 -40.78 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.064 0.459 . . . . 6.57 109.826 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 68.9 m80 -139.64 146.26 39.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 3.86 109.96 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.57 ' C ' ' H ' ' A' 2051 ' ' LEU . 24.7 ttp -90.88 28.88 1.45 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.048 0.928 . . . . 2.18 109.55 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' 2052 ' ' ASN . 0.0 OUTLIER -62.34 6.87 0.07 Allowed 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 114.091 -1.413 . . . . 9.83 112.785 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.57 ' H ' ' C ' ' A' 2049 ' ' MET . 14.6 mt -21.08 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 128.615 2.766 . . . . 2.8 118.003 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' 2050 ' ' ARG . 15.4 m120 -44.1 142.48 1.42 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.16 0.505 . . . . 4.72 111.055 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.73 -28.42 10.03 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.901 -0.879 . . . . 2.06 110.901 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' 2058 ' ' GLN . 1.1 mp -81.05 142.46 33.33 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.011 -0.366 . . . . 2.14 110.011 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 49.1 m -66.7 142.81 97.76 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.203 -1.036 . . . . 1.69 108.203 168.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.678 ' O ' ' HG3' ' A' 2060 ' ' GLN . 68.5 Cg_exo -38.21 -48.23 2.33 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 123.571 2.847 . . . . 1.09 113.568 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.93 -37.68 88.29 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.129 0.268 . . . . 2.45 111.462 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.505 ' HB3' ' HG ' ' A' 2054 ' ' LEU . 80.9 mm-40 -57.9 -51.34 70.01 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.474 0.654 . . . . 2.21 109.617 174.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.552 ' O ' ' HB ' ' A' 2062 ' ' THR . 5.4 mm-40 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.534 -1.212 . . . . 1.5 111.246 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.678 ' HG3' ' O ' ' A' 2056 ' ' PRO . 17.9 mt-30 -56.36 -60.03 4.1 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.995 -0.548 . . . . 1.24 110.355 177.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.491 ' HA ' ' HB1' ' A' 2064 ' ' ALA . 79.9 mt-30 -54.41 -35.04 62.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.795 0.331 . . . . 1.89 111.827 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' 2059 ' ' GLN . 95.8 m -53.9 -55.29 28.23 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.839 -0.618 . . . . 1.24 111.025 171.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.64 -20.06 43.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.699 0.762 . . . . 1.88 109.73 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2064 ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' 2061 ' ' GLN . . . -68.42 -46.9 68.65 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.279 -1.328 . . . . 1.08 108.613 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.2 m -66.85 -36.74 83.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.982 -1.463 . . . . 1.08 110.305 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -57.64 11.97 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.099 -0.704 . . . . 2.03 109.099 177.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 2063 ' ' LEU . 55.2 t -54.03 -47.82 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.15 -0.932 . . . . 1.09 110.972 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.03 -51.79 68.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.164 -0.926 . . . . 1.03 111.855 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.506 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -33.58 74.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 1.09 111.115 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.36 81.06 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.82 -0.627 . . . . 1.04 109.984 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.741 ' O ' ' HG ' ' A' 2075 ' ' LEU . 10.0 t -85.28 -23.44 28.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 120.068 -0.653 . . . . 1.07 110.573 -174.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.643 ' O ' ' HB3' ' A' 2077 ' ' HIS . . . -56.58 -39.95 74.4 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.677 -0.49 . . . . 1.07 109.677 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.2 m -70.08 -41.86 73.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.545 0.688 . . . . 1.17 110.234 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.694 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -66.39 -38.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.261 -0.881 . . . . 1.15 113.201 -175.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' 2071 ' ' THR . 24.4 mt -80.01 -11.44 59.78 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.916 0.339 . . . . 1.18 111.916 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.88 74.35 0.8 Allowed Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.283 -1.927 . . . . 0.93 108.283 -168.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.643 ' HB3' ' O ' ' A' 2072 ' ' ALA . 55.3 t-80 -159.28 -47.39 0.05 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.162 0.506 . . . . 1.23 111.129 -153.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 60.0 m-70 70.28 -49.59 0.65 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.018 1.118 . . . . 1.56 114.018 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' 2072 ' ' ALA . 15.3 p -75.22 125.06 89.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 C-N-CA 120.165 -0.614 . . . . 2.1 112.568 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.506 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -83.26 -22.99 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.73 2.953 . . . . 0.56 110.726 173.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.07 -20.64 60.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.928 -1.033 . . . . 1.54 110.729 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.7 t -102.65 21.98 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.785 0.803 . . . . 1.02 109.883 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.35 106.43 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.235 -0.893 . . . . 1.03 109.763 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 68.2 m -75.28 113.03 21.55 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 120.692 0.282 . . . . 0.86 110.588 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.485 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 22.4 Cg_endo -67.86 -26.11 38.46 Favored 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.584 2.189 . . . . 0.18 112.631 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.16 59.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.599 -0.728 . . . . 0.98 111.472 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.465 ' O ' HG22 ' A' 2124 ' ' THR . 28.6 m -76.87 147.52 37.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.061 -0.718 . . . . 1.03 109.061 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.14 143.35 28.88 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.444 -0.798 . . . . 1.06 110.102 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.492 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.4 m-85 -43.01 -41.15 3.32 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 124.065 0.853 . . . . 0.16 111.786 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.49 -64.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 2.13 111.433 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.589 -0.732 . . . . 2.27 112.153 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.31 -16.69 39.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.399 . . . . 1.06 111.853 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.63 9.71 7.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.206 -0.997 . . . . 0.22 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.494 ' CD1' HG11 ' A' 2074 ' ' VAL . 0.3 OUTLIER -69.29 126.54 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.448 0.642 . . . . 1.1 112.059 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -95.9 165.92 12.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.973 -1.121 . . . . 1.86 107.973 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.1 t -63.69 -30.5 71.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.897 0.772 . . . . 1.67 110.549 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' 2101 ' ' GLU . 53.3 mt -68.61 -51.12 45.79 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.567 0.699 . . . . 2.14 109.757 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.55 ' CG2' HG23 ' A' 2074 ' ' VAL . 0.6 OUTLIER -70.31 -25.87 63.51 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 1.07 112.411 178.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.51 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.66 -23.1 64.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.886 0.85 . . . . 1.06 109.311 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.616 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.13 -37.99 13.83 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.781 -1.099 . . . . 1.73 108.976 178.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' 2104 ' ' ASN . 28.3 mt-10 -67.03 -35.48 79.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.46 111.089 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' 2106 ' ' LEU . 5.1 tp -58.94 -59.47 5.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.14 0.495 . . . . 1.76 111.201 176.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -53.93 -34.68 60.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.101 -0.954 . . . . 2.66 110.345 177.198 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.558 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -56.03 -50.88 69.68 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.34 -0.391 . . . . 0.44 110.759 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.0 m -69.85 -41.84 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.396 -0.366 . . . . 1.07 111.198 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 2102 ' ' LEU . 78.1 mt -64.97 -49.06 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 2.08 111.278 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.78 -27.79 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.163 0.506 . . . . 1.15 110.241 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.4 t60 -71.17 -48.29 52.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.343 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.38 -43.56 77.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.069 -0.969 . . . . 0.45 112.332 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.489 ' HA ' ' HB2' ' A' 2049 ' ' MET . 62.5 p -76.27 -23.69 54.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.516 0.674 . . . . 1.1 109.243 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2111 ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' 2047 ' ' SER . . . 82.4 5.54 89.47 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.91 -1.041 . . . . 0.36 112.315 175.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.2 OUTLIER -95.83 -159.63 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.468 0.651 . . . . 1.23 110.018 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -133.51 123.41 25.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.782 -1.099 . . . . 0.43 109.526 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' 2118 ' ' LEU . 66.0 mt -132.22 151.02 77.61 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 114.968 -1.015 . . . . 1.84 111.368 -169.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -78.85 156.0 27.0 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.957 2.438 . . . . 0.39 111.68 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.504 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.6 Cg_endo -76.68 2.95 6.89 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.167 1.911 . . . . 0.52 111.582 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 14.4 p -99.49 -2.15 36.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.6 -0.727 . . . . 1.12 112.023 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' 2114 ' ' LEU . 20.3 mt -38.38 -62.81 0.55 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.61 0.719 . . . . 1.5 112.482 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.51 HG13 ' HA ' ' A' 2099 ' ' ALA . 6.8 mm -57.32 -25.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 113.847 -1.524 . . . . 1.07 111.769 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -86.13 -36.86 19.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.219 -0.446 . . . . 0.45 111.113 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.59 -32.3 41.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.862 -0.608 . . . . 1.34 111.404 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -137.3 77.2 42.1 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.845 -0.798 . . . . 0.52 108.845 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.685 ' O ' HG21 ' A' 2124 ' ' THR . 17.8 Cg_endo -92.08 102.29 0.2 Allowed 'Trans proline' 0 N--CA 1.435 -1.964 0 C-N-CA 121.778 1.652 . . . . 0.31 112.193 -173.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.685 HG21 ' O ' ' A' 2123 ' ' PRO . 1.7 p 168.11 152.66 0.12 Allowed Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 127.74 2.416 . . . . 1.03 105.344 163.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.485 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 53.2 Cg_exo -55.07 -36.3 92.5 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 CA-C-N 121.183 1.458 . . . . 0.14 110.185 171.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.537 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.0 t60 -68.62 -44.98 73.11 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.5 112.056 178.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.58 -39.75 71.1 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.344 0.52 . . . . 1.0 110.597 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.402 ' HB3' HD21 ' A' 2132 ' ' LEU . 38.4 mt -74.79 -28.93 60.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.98 111.561 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.508 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 30.0 m -60.05 -30.58 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.919 0.866 . . . . 1.08 109.004 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' 2126 ' ' HIS . 3.5 mt-30 -80.51 -49.01 11.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.842 -1.072 . . . . 1.66 110.16 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 83.2 t60 -64.54 -51.54 62.33 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.263 -0.426 . . . . 0.41 111.545 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' 2128 ' ' LEU . 2.0 mm? -63.43 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.032 -0.267 . . . . 1.72 111.522 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -68.97 -36.8 78.3 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.209 -0.663 . . . . 0.35 109.209 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.6 m -66.37 -50.08 64.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.581 -0.736 . . . . 1.15 110.048 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.502 ' HB3' HD13 ' A' 2112 ' ' LEU . 21.2 mmm180 -54.77 -49.52 70.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 1.97 112.138 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' 2112 ' ' LEU . 94.9 mt -62.52 -36.04 81.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.32 0.489 . . . . 1.61 112.32 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.2 p -90.78 -28.24 18.38 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.322 -0.399 . . . . 1.11 111.735 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -81.67 108.15 15.0 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.404 -0.362 . . . . 2.43 110.771 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2139 ' ' SER . . . . . 0.451 ' HB3' ' NH1' ' A' 2050 ' ' ARG . 46.7 t 174.0 143.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.71 0.631 . . . . 3.29 109.663 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.487 -0.768 . . . . 7.72 109.981 179.465 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 47.1 Cg_exo . . . . . 0 N--CA 1.466 -0.105 0 N-CA-C 113.881 0.685 . . . . 0.86 113.881 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.11 -39.94 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.062 0.226 . . . . 1.95 111.347 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -55.2 -45.65 75.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.235 0.54 . . . . 1.6 109.821 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.506 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.2 mt-30 -63.73 -45.85 88.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.316 -0.857 . . . . 1.5 110.947 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.4 mt-30 -56.92 -60.61 3.32 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.392 -0.367 . . . . 0.95 110.629 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.8 mt-30 -52.95 -35.43 58.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.975 0.416 . . . . 1.32 111.794 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' 2059 ' ' GLN . 99.3 m -56.25 -54.13 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.77 111.353 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -81.44 -18.01 46.81 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.836 0.827 . . . . 1.32 109.74 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.68 -49.08 64.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.071 -1.422 . . . . 0.51 108.417 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 95.3 m -61.01 -37.63 83.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.98 -1.464 . . . . 0.41 110.296 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' 2109 ' ' ASN . 0.0 OUTLIER -58.52 -58.25 9.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.831 -0.803 . . . . 1.35 108.831 176.497 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2063 ' ' LEU . 52.6 t -53.13 -44.68 52.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.294 -0.866 . . . . 0.22 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.22 -53.36 50.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.17 111.595 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.69 -28.94 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 0.23 110.774 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.81 82.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.641 -0.708 . . . . 0.24 110.402 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.83 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.62 -26.97 24.12 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.934 -0.706 . . . . 0.28 109.991 -176.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.559 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -49.54 -47.95 48.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.873 -0.788 . . . . 0.31 108.873 167.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.46 111.402 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.5 -40.56 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -177.21 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.83 ' HG ' ' O ' ' A' 2071 ' ' THR . 10.3 mt -80.07 -37.29 34.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.74 109.773 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.39 12.01 16.29 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.799 -0.715 . . . . 0.93 113.159 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 13.4 p80 -100.17 -7.31 24.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.228 0.514 . . . . 0.97 111.321 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.559 ' C ' ' HB1' ' A' 2072 ' ' ALA . 95.1 m-70 70.86 -31.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.126 1.528 . . . . 1.56 115.126 166.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.8 p -81.38 126.08 77.32 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 118.966 0.803 . . . . 1.82 113.016 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.9 Cg_exo -85.22 -13.24 6.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.631 2.887 . . . . 0.51 111.205 173.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.19 -18.73 38.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 1.54 110.538 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 18.6 t -92.81 21.61 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.697 . . . . 0.63 110.086 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.498 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -105.77 108.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.486 -0.779 . . . . 0.25 110.275 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 48.5 m -86.03 115.57 62.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.346 -0.388 . . . . 0.28 110.678 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.82 -28.12 51.28 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 C-N-CA 122.797 2.331 . . . . 0.15 112.929 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.54 -23.32 40.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.731 -0.668 . . . . 0.14 110.877 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.465 ' O ' HG22 ' A' 2124 ' ' THR . 39.0 m -80.26 146.83 31.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.934 -0.765 . . . . 0.16 108.934 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.55 145.54 27.33 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 0.15 109.596 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.1 m-85 -50.8 -35.28 31.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.58 -0.736 . . . . 0.12 111.904 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.539 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.1 -64.66 0.73 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.091 0.472 . . . . 1.69 110.575 171.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -60.06 -24.36 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.271 -0.877 . . . . 2.27 111.325 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' 2075 ' ' LEU . 88.2 mt -80.52 -12.64 59.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.995 -0.548 . . . . 0.24 112.085 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.6 2.65 14.76 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.247 -0.978 . . . . 0.2 114.3 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.7 mm -64.68 130.72 30.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.203 0.816 . . . . 0.32 113.203 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -103.69 171.57 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.918 -1.037 . . . . 1.86 108.629 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 34.5 p -57.86 -41.69 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.451 0.569 . . . . 1.32 111.092 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' A' 2101 ' ' GLU . 14.1 tp -60.86 -55.68 30.17 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.954 -0.566 . . . . 1.61 110.59 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.43 ' CG2' HG13 ' A' 2074 ' ' VAL . 0.2 OUTLIER -68.1 -25.78 65.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 113.164 0.802 . . . . 0.19 113.164 -178.377 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.46 -24.28 65.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.894 0.854 . . . . 0.24 109.308 170.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -39.16 12.41 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.942 -1.026 . . . . 1.15 109.175 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.8 mt-10 -66.27 -34.92 79.09 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.808 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.8 tp -65.82 -52.38 51.12 Favored 'General case' 0 N--CA 1.418 -2.05 0 CA-C-O 121.472 0.653 . . . . 1.13 109.628 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -48.56 -41.32 30.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 2.11 110.755 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.9 m-20 -58.63 -49.51 77.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.4 110.793 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 39.7 m -65.75 -48.17 72.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.423 -0.353 . . . . 0.33 111.561 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' 2106 ' ' LEU . 2.0 mm? -59.82 -49.97 75.64 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 111.933 0.346 . . . . 1.47 111.933 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -28.44 69.86 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.18 0.515 . . . . 0.67 110.329 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.5 t60 -73.54 -48.45 32.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.521 -0.763 . . . . 1.29 110.535 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2109 ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' 2066 ' ' LEU . 9.6 m-80 -67.51 -44.61 78.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.119 -0.946 . . . . 0.4 112.402 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.484 ' HB ' HD21 ' A' 2136 ' ' LEU . 58.6 p -74.01 -25.49 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.772 0.796 . . . . 0.33 109.377 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.24 5.05 87.7 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.039 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.802 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -96.44 -160.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.406 0.622 . . . . 0.47 110.157 -178.15 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -135.19 120.41 18.91 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.109 -0.951 . . . . 0.43 109.694 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 71.4 mt -129.4 157.4 76.38 Favored Pre-proline 0 C--N 1.306 -1.312 0 CA-C-N 114.502 -1.226 . . . . 1.25 110.886 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.594 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.1 Cg_endo -80.68 149.95 18.66 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 123.017 2.478 . . . . 0.33 111.972 176.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.88 5.05 2.73 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.251 1.967 . . . . 0.46 111.598 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 21.1 p -101.42 0.38 36.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.646 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2115 ' ' PRO . 56.1 mt -38.02 -62.86 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.734 0.778 . . . . 0.79 112.094 173.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.534 HG13 ' HA ' ' A' 2099 ' ' ALA . 7.9 mm -60.05 -21.95 23.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 113.826 -1.533 . . . . 0.28 111.748 -174.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -90.73 -34.66 15.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.383 -0.371 . . . . 0.38 111.778 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.73 -32.72 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 1.34 111.333 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -129.5 71.04 82.13 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 108.583 -0.895 . . . . 0.43 108.583 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.664 ' O ' HG23 ' A' 2124 ' ' THR . 28.5 Cg_endo -91.9 102.89 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.045 0 C-N-CA 121.878 1.719 . . . . 0.25 112.438 -171.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.664 HG23 ' O ' ' A' 2123 ' ' PRO . 1.5 p 167.2 155.54 0.12 Allowed Pre-proline 0 C--N 1.321 -0.638 0 C-N-CA 127.546 2.339 . . . . 0.13 105.359 161.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 44.0 Cg_exo -55.18 -39.55 90.39 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 121.276 1.492 . . . . 0.14 109.999 172.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' A' 2130 ' ' GLN . 60.0 t60 -62.04 -48.65 79.29 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.029 -0.532 . . . . 0.42 111.58 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -54.63 -41.36 69.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.144 0.497 . . . . 0.13 110.951 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' 2089 ' ' PHE . 52.3 mt -76.9 -32.85 57.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.157 -0.474 . . . . 0.14 111.731 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.404 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 89.4 m -58.18 -31.96 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.954 0.883 . . . . 0.24 108.936 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' 2126 ' ' HIS . 43.9 mm-40 -80.38 -42.94 21.92 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.785 -1.098 . . . . 1.66 111.058 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -63.59 -52.76 59.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.412 0.153 . . . . 0.35 111.412 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.5 mm? -63.18 -34.76 78.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.744 -0.207 . . . . 1.13 111.518 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -66.69 -37.05 83.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.342 -0.614 . . . . 0.31 109.342 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.4 m -63.41 -52.34 61.96 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.775 -0.648 . . . . 0.36 110.25 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.7 mmm180 -51.71 -48.56 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.841 0.682 . . . . 1.64 112.841 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.802 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -70.35 -31.95 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.37 0.507 . . . . 0.97 112.37 -175.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.051 0.453 . . . . 0.68 110.985 -177.257 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.677 ' O ' ' HG3' ' A' 2060 ' ' GLN . 48.0 Cg_exo . . . . . 0 N--CA 1.462 -0.343 0 N-CA-C 113.529 0.55 . . . . 0.86 113.529 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2057 ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 59.8 tt0 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.556 0.206 . . . . 1.95 111.556 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -61.0 -42.7 98.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.325 0.583 . . . . 1.6 109.554 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.518 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.2 mt-30 -63.39 -39.07 93.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.25 -0.886 . . . . 1.5 110.67 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.677 ' HG3' ' O ' ' A' 2056 ' ' PRO . 48.3 mt-30 -58.24 -60.93 3.0 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 110.197 -0.297 . . . . 0.95 110.197 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 75.3 mt-30 -51.24 -34.75 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.506 0.504 . . . . 1.32 111.9 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.4 m -57.08 -51.64 68.46 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.557 -0.747 . . . . 0.77 111.286 173.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 7.4 mt -78.41 -22.06 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.783 0.802 . . . . 1.32 109.323 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.88 -49.64 65.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.104 -1.407 . . . . 0.51 108.363 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 90.1 m -66.6 -35.3 79.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.861 -1.518 . . . . 0.41 110.427 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.642 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 15.3 tp -58.92 -62.88 1.55 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.612 -0.722 . . . . 1.35 110.449 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.466 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.5 t -53.79 -41.91 49.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.18 -1.373 . . . . 0.22 110.935 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.533 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.65 -51.07 68.69 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.002 -0.999 . . . . 0.17 111.41 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.483 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.95 -28.08 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.13 0.491 . . . . 0.23 110.876 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.44 74.34 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.765 -0.652 . . . . 0.24 110.395 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.784 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.4 t -87.82 -22.99 24.17 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.953 -0.699 . . . . 0.28 109.863 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -51.79 -44.82 63.58 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.66 -0.867 . . . . 0.31 108.66 165.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.3 m -70.15 -52.09 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.338 -0.846 . . . . 0.46 110.765 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.704 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -58.53 -41.68 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 113.408 0.892 . . . . 0.56 113.408 -175.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.8 mt -82.52 -18.9 39.9 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-O 121.274 0.559 . . . . 0.74 110.215 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 87.69 39.38 7.15 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.556 -0.747 . . . . 0.93 113.499 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 11.8 p80 -125.38 -7.83 6.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.288 0.544 . . . . 0.97 111.414 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.484 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.2 m-70 69.97 -23.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.627 1.714 . . . . 1.56 115.627 166.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.8 p -89.54 124.51 64.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 119.311 0.96 . . . . 1.82 113.064 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.483 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.87 -15.85 5.6 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.868 3.046 . . . . 0.51 111.177 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.17 -19.82 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 1.54 110.523 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 16.1 t -94.5 21.63 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 0.63 110.195 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.549 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -103.22 117.12 48.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.653 -0.703 . . . . 0.25 110.277 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 36.5 m -84.48 108.79 15.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.202 -0.454 . . . . 0.28 110.282 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.437 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.2 Cg_endo -66.78 -28.52 43.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.444 2.096 . . . . 0.15 112.484 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.01 57.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.654 -0.703 . . . . 0.14 111.273 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.3 m -75.39 148.13 39.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.085 -0.709 . . . . 0.16 109.085 175.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.52 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.12 144.44 29.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.222 -0.899 . . . . 0.15 109.861 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.518 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.8 m-85 -48.09 -39.44 20.3 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.705 0.628 . . . . 0.12 111.986 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.29 -65.48 0.56 Allowed 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 123.718 0.636 . . . . 1.69 110.675 175.092 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.28 -28.26 66.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.085 -0.961 . . . . 2.27 111.206 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.466 HD21 ' HB ' ' A' 2087 ' ' THR . 88.7 mt -73.6 -14.87 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.24 112.618 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.65 8.08 11.35 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.847 -1.168 . . . . 0.2 113.35 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -74.8 127.72 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.364 0.602 . . . . 0.32 112.253 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.74 -178.65 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.86 109.446 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 6.5 p -63.57 -43.22 97.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 1.32 110.914 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.6 tp -59.99 -56.71 18.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.432 -0.804 . . . . 1.61 110.616 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.504 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.84 -25.66 64.76 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 113.151 0.797 . . . . 0.19 113.151 -178.369 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.533 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -24.48 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.903 0.859 . . . . 0.24 109.374 170.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.7 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.98 -40.12 11.85 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.631 -1.168 . . . . 1.15 109.191 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.1 mt-10 -66.77 -33.09 74.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.171 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' 2106 ' ' LEU . 13.9 tp -65.06 -55.61 17.85 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 116.175 -0.466 . . . . 1.13 110.658 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.7 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -57.47 -30.96 65.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.431 -0.804 . . . . 2.11 110.55 176.111 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' 2101 ' ' GLU . 87.5 m-20 -58.93 -54.21 49.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.036 0.446 . . . . 0.4 110.29 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 35.2 m -63.0 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.33 110.725 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.1 mt -64.46 -50.22 68.35 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.273 -0.421 . . . . 1.47 111.174 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' 2103 ' ' ARG . 0.4 OUTLIER -60.92 -29.22 69.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.331 0.586 . . . . 0.67 110.327 -178.589 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.27 -46.11 57.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.709 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -73.17 -34.6 66.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.19 -0.913 . . . . 0.4 112.484 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.592 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 55.3 p -86.26 -26.81 24.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.361 0.6 . . . . 0.33 110.757 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.19 4.62 89.83 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.412 -0.813 . . . . 0.36 111.093 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.61 HD21 HD13 ' A' 2136 ' ' LEU . 6.8 mt -91.8 -174.6 3.88 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.653 0.74 . . . . 0.47 110.557 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -128.42 116.05 19.16 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.474 -1.239 . . . . 0.43 109.68 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' 2118 ' ' LEU . 2.8 mm? -120.19 152.52 54.71 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 114.254 -1.339 . . . . 1.25 110.94 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -75.91 158.5 38.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.251 2.634 . . . . 0.33 111.907 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.4 Cg_endo -76.19 2.3 7.35 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.237 1.958 . . . . 0.46 111.195 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.9 p -102.89 4.15 37.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.534 -0.757 . . . . 0.36 111.919 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' 2103 ' ' ARG . 12.2 mt -41.05 -64.16 0.58 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.451 0.643 . . . . 0.79 112.438 174.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2094 ' ' ILE . 8.7 mm -55.97 -24.55 17.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.151 -1.386 . . . . 0.28 111.74 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -88.53 -28.54 20.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.095 -0.502 . . . . 0.38 111.57 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.32 -36.89 14.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.245 0.545 . . . . 1.34 111.005 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -130.68 77.82 74.98 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.472 -0.936 . . . . 0.43 108.472 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' 2124 ' ' THR . 32.9 Cg_endo -91.98 102.47 0.21 Allowed 'Trans proline' 0 N--CA 1.436 -1.902 0 C-N-CA 121.755 1.637 . . . . 0.25 112.412 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.719 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 155.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 127.694 2.397 . . . . 0.13 105.344 161.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.402 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 49.2 Cg_exo -55.39 -38.39 93.92 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.38 1.529 . . . . 0.14 110.228 171.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.576 ' O ' ' HG3' ' A' 2130 ' ' GLN . 53.1 t60 -64.27 -46.94 81.52 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.42 111.731 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.29 74.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.985 0.422 . . . . 0.13 111.328 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.43 HD11 HD13 ' A' 2119 ' ' ILE . 42.2 mt -75.23 -32.09 61.04 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 116.437 -0.347 . . . . 0.14 111.451 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 95.0 m -57.2 -30.91 64.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.555 0.693 . . . . 0.24 109.23 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -77.01 -49.05 16.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.016 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.554 ' O ' ' HG2' ' A' 2135 ' ' ARG . 76.7 t60 -65.14 -52.36 55.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 0.35 111.749 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.8 mm? -60.88 -32.97 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.084 -0.247 . . . . 1.13 111.202 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -64.16 -37.9 89.13 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.349 0.595 . . . . 0.31 109.428 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 49.8 m -68.57 -33.91 74.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.092 -0.958 . . . . 0.36 110.933 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.57 ' CB ' HD13 ' A' 2112 ' ' LEU . 14.3 mmm180 -68.53 -42.63 78.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.898 0.332 . . . . 1.64 111.898 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.61 HD13 HD21 ' A' 2112 ' ' LEU . 3.6 mm? -68.79 -37.92 79.62 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.074 0.464 . . . . 0.97 111.984 176.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.68 112.385 -169.398 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.9 Cg_exo . . . . . 0 N--CA 1.462 -0.342 0 N-CA-C 114.295 0.844 . . . . 0.86 114.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.03 -36.19 81.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.702 0.287 . . . . 1.95 110.668 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -58.16 -38.96 77.63 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.255 0.55 . . . . 1.6 110.147 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.489 ' O ' ' HB ' ' A' 2062 ' ' THR . 53.9 mt-30 -71.09 -43.01 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.529 -0.759 . . . . 1.5 110.75 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.9 mt-30 -59.51 -61.29 2.74 Favored 'General case' 0 C--O 1.205 -1.257 0 CA-C-N 116.277 -0.42 . . . . 0.95 111.11 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 91.0 mt-30 -48.23 -35.19 11.48 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.485 0.491 . . . . 1.32 111.903 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 2059 ' ' GLN . 89.0 m -58.79 -57.09 14.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.447 -0.797 . . . . 0.77 111.409 173.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 4.2 pp -76.65 -19.09 58.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.827 0.822 . . . . 1.32 109.592 -176.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.44 -50.52 63.1 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.093 -1.412 . . . . 0.51 108.422 175.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.8 m -65.63 -33.19 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.915 -1.493 . . . . 0.41 110.3 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.0 tp -60.67 -61.62 2.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 1.35 110.75 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2063 ' ' LEU . 58.1 t -50.1 -45.11 23.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.886 -1.052 . . . . 0.22 110.768 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.553 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.39 -47.44 86.07 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.843 -1.071 . . . . 0.17 111.429 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.54 -30.45 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.23 111.18 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -64.72 -45.87 84.7 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.877 -0.602 . . . . 0.24 109.735 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.733 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.6 t -87.39 -25.9 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.154 -0.618 . . . . 0.28 111.235 -176.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -52.26 -42.83 64.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.73 -0.841 . . . . 0.31 108.73 167.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.9 m -75.38 -48.83 21.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.412 -0.813 . . . . 0.46 111.099 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.1 -40.55 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 113.119 0.785 . . . . 0.56 113.119 -175.379 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.4 mt -83.56 -14.21 52.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.346 0.593 . . . . 0.74 110.156 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.28 38.59 25.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.93 112.91 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.42 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.2 p80 -121.51 -15.68 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.179 0.49 . . . . 0.97 111.274 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.443 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.4 m-70 66.07 -178.74 0.2 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.371 -0.831 . . . . 1.56 111.266 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 25.6 p 54.09 115.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 114.528 1.307 . . . . 1.82 114.528 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.2 Cg_exo -80.99 -16.69 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.459 3.439 . . . . 0.51 111.085 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -78.89 -17.58 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.386 -0.825 . . . . 1.54 109.872 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -93.74 21.51 6.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.63 109.853 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.553 HG13 ' HB1' ' A' 2068 ' ' ALA . 12.5 mm -105.96 122.33 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.25 110.168 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 18.9 m -87.55 110.62 35.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.337 -0.392 . . . . 0.28 110.511 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' A' 2124 ' ' THR . 30.7 Cg_endo -67.63 -26.57 39.47 Favored 'Trans proline' 0 CA--C 1.514 -0.51 0 C-N-CA 122.739 2.293 . . . . 0.15 112.797 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.64 44.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.002 -0.544 . . . . 0.14 111.055 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.446 ' O ' HG22 ' A' 2124 ' ' THR . 28.0 m -75.95 145.75 40.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.2 -0.667 . . . . 0.16 109.2 174.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.63 142.42 32.77 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.194 -0.912 . . . . 0.15 109.082 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' 2092 ' ' LEU . 35.0 m-85 -47.27 -37.62 11.02 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.004 0.815 . . . . 0.12 111.774 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.548 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.27 -65.64 0.53 Allowed 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.551 0.532 . . . . 1.69 110.776 174.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.426 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.6 t70 -56.0 -31.68 63.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.447 -0.797 . . . . 2.27 111.108 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 2089 ' ' PHE . 81.8 mt -69.54 -17.43 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.624 -0.716 . . . . 0.24 111.973 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.67 -1.26 11.15 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.511 -0.852 . . . . 0.2 113.416 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2119 ' ' ILE . 5.7 mm -64.32 132.47 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.984 0.735 . . . . 0.32 112.984 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.45 165.45 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.791 -1.095 . . . . 1.86 108.253 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 27.9 t -53.54 -35.13 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 118.706 0.685 . . . . 1.32 111.551 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.7 mt -67.49 -53.74 26.14 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.246 0.546 . . . . 1.61 110.092 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.687 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.85 -26.27 65.06 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.19 112.303 178.575 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.57 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.28 -24.41 64.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.887 0.851 . . . . 0.24 109.405 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -37.49 14.07 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.633 -1.167 . . . . 1.15 109.005 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' 2097 ' ' LEU . 26.9 mt-10 -66.19 -36.96 84.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.988 -0.551 . . . . 0.46 111.315 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 11.1 mt -54.61 -62.09 1.88 Allowed 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.219 0.533 . . . . 1.13 109.685 173.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -48.81 -39.74 26.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.232 -1.349 . . . . 2.11 111.171 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -57.15 -53.1 61.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.4 111.314 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 99.8 m -71.51 -40.23 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 0.33 111.19 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' 2107 ' ' THR . 0.6 OUTLIER -72.45 -42.92 64.46 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 123.439 0.695 . . . . 1.47 112.01 -174.188 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.498 ' N ' HD23 ' A' 2106 ' ' LEU . 1.3 t -69.69 -27.04 64.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.307 -0.627 . . . . 0.67 109.307 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.03 -52.71 32.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.255 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -63.29 -37.33 86.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.256 -0.883 . . . . 0.4 112.661 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.578 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.5 p -83.02 -19.08 37.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.46 0.648 . . . . 0.33 110.298 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 73.08 6.71 69.17 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.265 -0.879 . . . . 0.36 111.307 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.578 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.6 mt -86.99 -171.85 3.7 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.613 0.72 . . . . 0.47 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.9 t70 -134.26 109.7 9.03 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.589 -1.187 . . . . 0.43 109.941 174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' 2112 ' ' LEU . 2.7 mm? -121.88 154.24 60.76 Favored Pre-proline 0 C--N 1.298 -1.645 0 CA-C-N 113.718 -1.583 . . . . 1.25 111.123 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.636 ' O ' ' HG ' ' A' 2118 ' ' LEU . 87.8 Cg_endo -77.03 152.2 31.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 123.134 2.556 . . . . 0.33 111.487 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.5 -7.01 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.214 1.943 . . . . 0.46 111.389 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -91.24 4.26 52.74 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.36 111.748 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.7 mt -39.36 -61.31 0.8 Allowed 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.968 0.889 . . . . 0.79 111.306 171.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -56.18 -25.63 20.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.362 -1.745 . . . . 0.28 111.902 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -90.36 -34.51 15.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.856 0.36 . . . . 0.38 111.602 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -85.82 -32.66 21.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.592 0.71 . . . . 1.34 110.744 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -132.15 75.93 73.98 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 108.279 -1.008 . . . . 0.43 108.279 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.707 ' O ' HG23 ' A' 2124 ' ' THR . 32.4 Cg_endo -91.55 102.96 0.23 Allowed 'Trans proline' 0 N--CA 1.436 -1.862 0 C-N-CA 121.403 1.402 . . . . 0.25 112.74 -171.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.707 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 166.82 158.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 127.944 2.498 . . . . 0.13 105.146 158.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.422 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.1 Cg_exo -55.75 -37.89 95.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 CA-C-N 121.405 1.538 . . . . 0.14 110.113 170.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.475 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 53.5 t60 -67.64 -42.0 82.95 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.728 -0.669 . . . . 0.42 112.03 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.5 80.52 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.105 0.479 . . . . 0.13 110.615 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.542 HD11 HD13 ' A' 2119 ' ' ILE . 46.9 mt -75.46 -26.72 58.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 0.14 111.449 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.487 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 31.9 m -60.47 -28.83 68.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.648 0.737 . . . . 0.24 109.118 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.26 -53.15 6.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.205 -0.907 . . . . 1.66 110.665 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -61.45 -49.98 74.63 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.159 0.429 . . . . 0.35 112.159 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.41 -28.58 68.03 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.991 -0.284 . . . . 1.13 111.415 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -67.19 -45.03 78.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.756 -0.831 . . . . 0.31 108.756 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 84.9 m -58.74 -38.05 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.012 -0.995 . . . . 0.36 111.509 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.517 ' HB3' HD22 ' A' 2112 ' ' LEU . 14.5 mmm180 -63.23 -44.53 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 1.64 111.611 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.517 HD23 HD21 ' A' 2112 ' ' LEU . 90.9 mt -75.13 -32.06 61.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.751 0.648 . . . . 0.97 112.751 -175.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 121.337 0.589 . . . . 0.68 111.925 -174.009 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.699 ' O ' ' HG3' ' A' 2060 ' ' GLN . 33.7 Cg_exo . . . . . 0 N--CA 1.466 -0.144 0 N-CA-C 114.096 0.768 . . . . 0.86 114.096 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.58 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.604 0.24 . . . . 1.95 111.319 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -66.96 -42.01 85.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.08 0.467 . . . . 1.6 110.0 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' 2062 ' ' THR . 45.0 mt-30 -59.89 -41.64 92.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.646 -0.706 . . . . 1.5 109.61 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.699 ' HG3' ' O ' ' A' 2056 ' ' PRO . 65.1 mt-30 -59.43 -59.05 6.08 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.401 -0.818 . . . . 0.95 110.651 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 28.5 mt-30 -52.17 -34.48 45.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.085 0.469 . . . . 1.32 111.924 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.8 m -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.721 -0.672 . . . . 0.77 111.129 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -78.74 -18.41 54.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.889 0.852 . . . . 1.32 109.29 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.26 -44.22 84.29 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.125 -1.398 . . . . 0.51 108.737 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.7 m -61.95 -39.25 91.46 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 113.873 -1.512 . . . . 0.41 110.132 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -55.81 30.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.536 -0.756 . . . . 1.35 108.996 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 2063 ' ' LEU . 70.5 t -52.04 -47.6 42.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.053 -0.976 . . . . 0.22 111.275 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.4 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -65.57 -49.32 69.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.32 -0.855 . . . . 0.17 111.567 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.39 70.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.177 0.513 . . . . 0.23 110.671 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.04 82.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.531 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.798 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.5 t -86.45 -25.01 25.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.05 -0.66 . . . . 0.28 110.475 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -48.84 -49.23 40.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.13 -0.693 . . . . 0.31 109.13 166.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.6 m -67.73 -49.17 63.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.43 -0.804 . . . . 0.46 110.99 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.75 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.564 0.95 . . . . 0.56 113.564 -175.601 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -80.31 -16.53 54.41 Favored 'General case' 0 CA--C 1.523 -0.067 0 O-C-N 121.952 -0.467 . . . . 0.74 110.297 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.98 27.01 11.5 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.844 -0.693 . . . . 0.93 113.422 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 5.3 p80 -121.63 1.28 10.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.397 0.598 . . . . 0.97 111.758 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 81.4 m-70 67.66 -54.1 0.49 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.466 1.654 . . . . 1.56 115.466 168.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.513 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 3.5 t -91.73 144.94 30.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.17 -1.012 . . . . 1.82 112.102 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -84.67 -1.62 9.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 124.979 3.786 . . . . 0.51 111.67 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.2 -11.54 59.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.365 -0.834 . . . . 1.54 111.603 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.0 t -118.45 21.68 12.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 0.63 110.538 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.656 HD12 HG23 ' A' 2071 ' ' THR . 23.2 mm -96.13 106.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.25 110.389 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 17.9 m -83.11 112.7 40.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.251 -0.432 . . . . 0.28 110.133 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.58 -27.63 53.46 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 122.593 2.195 . . . . 0.15 112.499 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.09 53.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.481 -0.781 . . . . 0.14 111.2 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.433 ' O ' HG22 ' A' 2124 ' ' THR . 35.4 m -78.48 146.68 34.28 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.546 0.689 . . . . 0.16 109.362 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.43 140.36 34.7 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.968 -1.015 . . . . 0.15 109.419 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.523 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.8 m-85 -46.71 -34.71 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.82 -1.082 . . . . 0.12 112.217 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.59 -64.99 0.64 Allowed 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 123.392 0.433 . . . . 1.69 110.755 173.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.61 -24.74 65.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.577 -0.738 . . . . 2.27 111.343 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2089 ' ' PHE . 85.7 mt -76.32 -14.72 60.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.24 111.903 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.57 11.7 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.21 -0.995 . . . . 0.2 113.825 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2119 ' ' ILE . 2.8 mm -63.78 130.87 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.763 0.653 . . . . 0.32 112.763 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -107.81 175.61 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.919 -0.771 . . . . 1.86 108.919 170.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 14.8 m -60.87 -32.54 71.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.055 0.455 . . . . 1.32 111.223 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' 2101 ' ' GLU . 59.6 mt -70.1 -52.56 22.76 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.917 -0.583 . . . . 1.61 110.11 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.75 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.49 -26.59 63.68 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.631 -0.713 . . . . 0.19 112.619 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.37 -23.64 65.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.025 0.917 . . . . 0.24 109.262 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.619 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.08 -35.95 15.16 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.56 -1.2 . . . . 1.15 109.305 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' 2098 ' ' THR . 25.2 mt-10 -66.01 -38.76 89.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.547 . . . . 0.46 110.782 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' 2071 ' ' THR . 6.3 mt -54.69 -64.82 0.71 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.229 -0.441 . . . . 1.13 111.358 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -49.9 -36.33 26.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.169 -0.923 . . . . 2.11 110.684 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' 2103 ' ' ARG . 18.8 m-20 -60.38 -46.3 90.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.4 111.069 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -72.44 -42.91 64.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 0.33 110.824 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 2102 ' ' LEU . 85.9 mt -67.14 -52.16 45.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 1.47 111.674 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.3 t -65.04 -27.62 68.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.083 0.468 . . . . 0.67 110.106 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -64.66 -55.87 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 1.29 110.405 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.42 -43.68 96.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.79 -1.096 . . . . 0.4 112.597 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.53 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.7 p -75.3 -22.1 57.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.723 0.773 . . . . 0.33 109.79 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.97 3.72 88.23 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.889 -1.051 . . . . 0.36 111.509 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.919 HD21 HD23 ' A' 2136 ' ' LEU . 12.1 mt -83.36 -173.74 4.88 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 114.702 -0.749 . . . . 0.47 111.181 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.01 119.37 27.49 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.164 -1.38 . . . . 0.43 108.872 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2118 ' ' LEU . 63.4 mt -135.44 149.5 69.72 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.765 -1.107 . . . . 1.25 111.275 -170.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.87 158.62 27.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.505 2.803 . . . . 0.33 111.96 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.478 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.9 Cg_endo -77.16 3.49 6.64 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.208 1.939 . . . . 0.46 111.401 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 -0.38 42.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.652 -0.704 . . . . 0.36 111.678 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.419 HD11 HD13 ' A' 2114 ' ' LEU . 18.4 mt -39.28 -63.34 0.56 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.669 0.747 . . . . 0.79 112.689 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2094 ' ' ILE . 8.3 mm -57.35 -24.91 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.6 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -90.17 -29.16 18.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.401 0.619 . . . . 0.38 111.222 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.64 -35.58 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.269 -0.878 . . . . 1.34 111.028 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -137.11 77.64 42.17 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.038 -1.097 . . . . 0.43 108.038 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.747 ' O ' HG23 ' A' 2124 ' ' THR . 12.2 Cg_endo -90.88 103.4 0.27 Allowed 'Trans proline' 0 N--CA 1.437 -1.811 0 C-N-CA 121.894 1.73 . . . . 0.25 112.393 -170.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.747 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.86 155.45 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 127.739 2.416 . . . . 0.13 104.842 160.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.5 Cg_exo -55.33 -37.68 94.4 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 CA-C-N 121.359 1.521 . . . . 0.14 110.164 172.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' 2130 ' ' GLN . 59.6 t60 -65.93 -48.42 71.44 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.597 -0.729 . . . . 0.42 111.732 177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.36 74.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.1 0.409 . . . . 0.13 111.307 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.547 HD11 HD13 ' A' 2119 ' ' ILE . 27.9 mt -71.51 -36.85 71.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.549 -0.296 . . . . 0.14 111.445 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.51 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 87.0 m -58.04 -26.45 62.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.712 0.768 . . . . 0.24 109.549 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' 2126 ' ' HIS . 7.1 mt-30 -80.59 -50.58 9.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.04 -0.982 . . . . 1.66 110.186 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.2 t60 -65.0 -48.17 74.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.941 0.4 . . . . 0.35 111.527 -174.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.429 ' HB2' HD13 ' A' 2063 ' ' LEU . 20.8 mt -64.53 -30.9 71.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.997 -0.547 . . . . 1.13 111.031 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -67.46 -43.07 81.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.814 -0.81 . . . . 0.31 108.814 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 59.6 m -60.69 -31.72 70.96 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.096 -0.956 . . . . 0.36 111.502 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.556 ' CB ' HD13 ' A' 2112 ' ' LEU . 21.1 mmm180 -73.32 -31.79 64.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.733 0.301 . . . . 1.64 111.472 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.919 HD23 HD21 ' A' 2112 ' ' LEU . 95.0 mt -82.31 -43.68 17.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.863 0.363 . . . . 0.97 111.667 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.447 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.68 111.34 -175.17 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.694 ' O ' ' HG3' ' A' 2060 ' ' GLN . 6.7 Cg_exo . . . . . 0 N--CA 1.458 -0.614 0 N-CA-C 113.73 0.627 . . . . 0.86 113.73 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.89 -40.74 97.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.061 0.226 . . . . 1.95 111.191 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -56.08 -47.95 77.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.52 -0.548 . . . . 1.6 109.52 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.3 mt-30 -59.58 -43.81 93.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.487 -0.779 . . . . 1.5 110.659 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.694 ' HG3' ' O ' ' A' 2056 ' ' PRO . 43.1 mt-30 -58.82 -57.79 11.48 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.473 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.1 mt-30 -55.23 -35.9 65.42 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 123.346 0.404 . . . . 1.32 111.394 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.6 m -56.62 -53.8 53.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.791 -0.64 . . . . 0.77 111.188 173.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.2 -17.91 53.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.001 0.905 . . . . 1.32 109.572 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.76 -46.29 72.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.024 -1.444 . . . . 0.51 108.345 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.5 m -64.59 -36.28 83.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.054 -1.43 . . . . 0.41 110.457 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -59.16 -58.11 10.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.054 -0.721 . . . . 1.35 109.054 177.146 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.504 ' HA ' HD21 ' A' 2106 ' ' LEU . 53.0 t -55.32 -45.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.063 -0.971 . . . . 0.22 110.977 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.71 -46.11 83.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.206 -0.906 . . . . 0.17 111.196 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -61.95 -33.34 74.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.241 0.543 . . . . 0.23 110.719 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.22 92.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.273 -0.876 . . . . 0.24 110.46 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.734 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -88.39 -24.75 22.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.998 -0.681 . . . . 0.28 110.925 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.14 47.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.059 -0.719 . . . . 0.31 109.059 165.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.6 m -72.56 -50.92 22.3 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.879 -1.055 . . . . 0.46 110.962 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.818 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -57.66 -42.82 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 113.273 0.842 . . . . 0.56 113.273 -175.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.1 mt -77.49 -15.41 59.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.317 0.579 . . . . 0.74 110.307 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 83.8 35.56 15.82 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.484 -0.78 . . . . 0.93 112.939 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 25.1 p80 -120.68 -14.52 8.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.12 -0.632 . . . . 0.97 112.053 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 65.37 161.33 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.918 -0.583 . . . . 1.56 112.5 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.0 t 43.6 138.68 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 126.369 1.868 . . . . 1.82 115.186 -170.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 1.9 Cg_endo -83.21 -2.42 10.67 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 124.837 3.692 . . . . 0.51 111.91 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.51 -7.95 47.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.409 -0.814 . . . . 1.54 111.248 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.1 t -117.04 14.07 14.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.979 -0.555 . . . . 0.63 110.254 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.612 HD12 HG23 ' A' 2071 ' ' THR . 29.2 mm -89.68 120.05 37.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.056 -0.52 . . . . 0.25 110.568 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 9.3 m -89.53 109.4 31.49 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.985 -0.552 . . . . 0.28 110.206 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 21.6 Cg_endo -66.13 -26.99 49.62 Favored 'Trans proline' 0 CA--C 1.513 -0.558 0 C-N-CA 122.551 2.167 . . . . 0.15 112.491 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.69 52.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.541 -0.754 . . . . 0.14 111.38 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 47.5 m -75.67 145.99 40.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.322 0.582 . . . . 0.16 109.488 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.42 144.17 30.67 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.065 -0.97 . . . . 0.15 109.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.556 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.7 m-85 -48.82 -38.83 23.27 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 123.845 0.716 . . . . 0.12 111.917 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.14 -65.33 0.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.111 -0.495 . . . . 1.69 110.948 172.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.91 -23.67 65.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.491 -0.777 . . . . 2.27 111.544 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' 2089 ' ' PHE . 89.8 mt -76.03 -21.19 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.343 -0.39 . . . . 0.24 111.915 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.49 11.43 6.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.289 -0.958 . . . . 0.2 113.583 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2119 ' ' ILE . 2.0 mm -70.63 130.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.65 177.41 4.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.845 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 19.4 m -64.76 -38.0 89.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.103 0.411 . . . . 1.32 110.489 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.8 tp -60.59 -54.65 42.85 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 123.44 0.696 . . . . 1.61 110.737 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.818 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -71.25 -26.8 63.06 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 112.85 0.685 . . . . 0.19 112.85 -179.284 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.83 -23.35 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.819 0.818 . . . . 0.24 109.276 170.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.36 -37.48 14.84 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.863 -1.062 . . . . 1.15 108.825 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' 2097 ' ' LEU . 28.8 mt-10 -65.1 -37.77 88.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.095 -0.502 . . . . 0.46 110.835 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.4 mt -56.36 -60.0 4.15 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.12 0.486 . . . . 1.13 110.223 171.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.5 OUTLIER -47.72 -45.56 28.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.598 -1.183 . . . . 2.11 110.948 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -53.69 -53.29 54.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.4 111.174 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.3 m -67.69 -43.64 79.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 0.33 111.338 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2102 ' ' LEU . 74.5 mt -67.33 -48.47 67.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 1.47 111.605 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.52 -28.19 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.102 0.477 . . . . 0.67 110.017 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.88 -51.54 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 1.29 110.399 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.61 -39.54 94.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.217 -0.901 . . . . 0.4 112.24 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.433 HG21 HD12 ' A' 2132 ' ' LEU . 43.0 p -78.33 -26.28 46.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.652 0.739 . . . . 0.33 109.64 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.08 8.71 83.5 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.928 -1.033 . . . . 0.36 112.211 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.825 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -101.48 -160.38 0.79 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.13 0.491 . . . . 0.47 109.728 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -135.69 121.89 20.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.358 -0.837 . . . . 0.43 110.009 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.93 157.76 76.99 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 114.643 -1.162 . . . . 1.25 111.21 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.61 ' O ' ' HG ' ' A' 2118 ' ' LEU . 79.3 Cg_endo -79.52 153.95 23.87 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.264 2.642 . . . . 0.33 111.696 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.01 2.92 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.083 1.856 . . . . 0.46 111.352 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 18.6 p -96.6 -1.09 47.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.815 -0.629 . . . . 0.36 111.889 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' 2115 ' ' PRO . 87.2 mt -38.33 -59.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.712 0.768 . . . . 0.79 111.79 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2094 ' ' ILE . 8.0 mm -57.31 -25.7 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 113.778 -1.556 . . . . 0.28 111.681 -175.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -90.9 -34.69 15.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.07 0.462 . . . . 0.38 111.48 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.95 -29.97 26.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.34 110.878 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -136.52 75.42 51.2 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.11 -1.071 . . . . 0.43 108.11 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' 2124 ' ' THR . 34.0 Cg_endo -91.95 103.31 0.22 Allowed 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 121.71 1.606 . . . . 0.25 112.37 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.724 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.6 155.96 0.13 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 127.743 2.417 . . . . 0.13 105.027 160.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.452 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 38.2 Cg_exo -55.34 -37.48 94.57 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 121.268 1.489 . . . . 0.14 110.337 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 75.0 t60 -69.46 -43.08 73.99 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.42 112.052 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.0 73.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.154 0.502 . . . . 0.13 110.501 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2119 ' ' ILE . 45.5 mt -74.8 -27.29 60.25 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.952 -0.567 . . . . 0.14 111.544 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 32.2 m -61.58 -30.64 70.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.704 0.764 . . . . 0.24 109.035 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -80.78 -43.34 20.27 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.266 -0.879 . . . . 1.66 110.18 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.0 t60 -66.46 -52.59 44.65 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.114 -0.494 . . . . 0.35 111.477 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.4 mm? -63.05 -31.97 73.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.199 -0.2 . . . . 1.13 111.28 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -68.39 -44.32 75.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.162 -0.681 . . . . 0.31 109.162 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.8 m -57.32 -51.76 68.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.594 -0.73 . . . . 0.36 110.327 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.681 ' HB3' HD13 ' A' 2112 ' ' LEU . 20.3 mmm180 -50.61 -48.65 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 1.64 112.584 -176.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.825 HD23 HD21 ' A' 2112 ' ' LEU . 78.4 mt -68.7 -37.01 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.076 0.399 . . . . 0.97 112.076 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 0.68 111.133 -178.277 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.697 ' O ' ' HG3' ' A' 2060 ' ' GLN . 23.9 Cg_exo . . . . . 0 C--O 1.229 0.06 0 N-CA-C 115.079 1.146 . . . . 0.86 115.079 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -64.03 -37.64 88.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.432 0.16 . . . . 1.95 111.432 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -60.18 -46.18 90.6 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.079 0.466 . . . . 1.6 109.901 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.488 ' O ' ' HB ' ' A' 2062 ' ' THR . 54.1 mt-30 -59.25 -41.1 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.319 -0.855 . . . . 1.5 110.535 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' 2056 ' ' PRO . 64.8 mt-30 -59.79 -61.6 2.49 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.037 -0.529 . . . . 0.95 110.884 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 77.5 mt-30 -53.0 -35.71 59.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.335 0.397 . . . . 1.32 111.76 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' 2059 ' ' GLN . 82.4 m -52.3 -54.01 36.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.7 -0.682 . . . . 0.77 111.197 172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.416 HD21 HD11 ' A' 2136 ' ' LEU . 12.2 mt -78.05 -24.57 47.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.622 0.725 . . . . 1.32 109.426 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.252 -1.34 . . . . 0.51 108.707 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 84.9 m -77.0 -37.34 55.27 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.975 -1.466 . . . . 0.41 110.82 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -57.74 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.579 0.704 . . . . 1.35 109.504 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' 2125 ' ' PRO . 68.6 t -56.11 -43.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.662 -1.154 . . . . 0.22 110.984 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -66.07 -46.33 78.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.051 -0.977 . . . . 0.17 110.997 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.466 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.76 -33.49 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.23 110.654 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.22 88.68 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.098 -0.955 . . . . 0.24 110.649 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -86.9 -22.74 25.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.825 -0.75 . . . . 0.28 110.441 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.8 -43.21 65.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.267 -0.642 . . . . 0.31 109.267 167.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.9 m -77.91 -46.95 19.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.359 -0.837 . . . . 0.46 111.162 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.699 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -58.39 -43.19 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 112.824 0.676 . . . . 0.56 112.824 -177.036 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.3 mt -75.58 -32.96 60.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.352 -0.61 . . . . 0.74 109.352 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 100.91 15.41 28.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.93 112.775 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.537 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.5 p80 -95.17 -17.67 21.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.405 . . . . 0.97 110.919 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 69.57 159.36 0.18 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.127 -0.942 . . . . 1.56 112.67 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.4 t 46.59 141.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 126.614 1.966 . . . . 1.82 115.272 -172.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.466 ' HB3' ' N ' ' A' 2069 ' ' ALA . 1.3 Cg_endo -85.33 1.72 8.17 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 124.75 3.633 . . . . 0.51 111.834 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.439 ' HG2' HG23 ' A' 2079 ' ' THR . 9.8 pt-20 -67.34 -18.22 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.605 -0.725 . . . . 1.54 111.078 -176.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.3 t -114.2 20.11 15.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.117 0.484 . . . . 0.63 110.53 -174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.573 HD12 HG23 ' A' 2071 ' ' THR . 18.7 mm -95.27 123.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.3 -0.409 . . . . 0.25 110.668 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 16.4 m -91.42 109.01 33.16 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 0.28 110.23 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.2 Cg_endo -65.62 -27.91 52.95 Favored 'Trans proline' 0 CA--C 1.513 -0.557 0 C-N-CA 122.507 2.138 . . . . 0.15 112.529 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.21 56.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.817 -0.629 . . . . 0.14 111.296 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.443 ' O ' HG22 ' A' 2124 ' ' THR . 57.2 m -76.82 146.48 37.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.58 0.705 . . . . 0.16 109.621 176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.499 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.74 143.33 30.95 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.765 -1.107 . . . . 0.15 109.94 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.51 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 38.5 m-85 -47.71 -39.95 18.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.613 -0.721 . . . . 0.12 112.182 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -48.55 -61.58 1.95 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.784 -0.644 . . . . 1.69 110.82 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.18 -18.71 63.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.899 -1.046 . . . . 2.27 111.975 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' 2089 ' ' PHE . 95.8 mt -83.5 -16.66 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.257 -0.428 . . . . 0.24 112.011 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.53 8.04 11.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.292 -0.956 . . . . 0.2 113.139 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -72.28 127.0 33.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.276 0.473 . . . . 0.32 112.276 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -99.95 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 1.86 109.398 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.1 m -68.23 -30.71 69.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.166 0.439 . . . . 1.32 111.065 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' 2101 ' ' GLU . 58.2 mt -71.22 -54.66 10.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.315 0.579 . . . . 1.61 109.677 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.699 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -67.83 -25.84 65.76 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.441 -0.799 . . . . 0.19 112.777 -179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.44 -25.69 64.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.896 0.855 . . . . 0.24 109.719 170.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -36.07 14.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.865 -1.061 . . . . 1.15 109.011 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.4 mt-10 -67.77 -34.53 76.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.744 -0.662 . . . . 0.46 111.505 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 2102 ' ' LEU . 9.9 mt -56.51 -60.57 3.34 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.422 0.63 . . . . 1.13 109.976 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.8 OUTLIER -49.11 -40.36 31.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.197 -1.365 . . . . 2.11 111.064 175.564 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 2101 ' ' GLU . 85.0 m-20 -53.66 -54.7 34.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.361 -0.381 . . . . 0.4 110.695 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -39.26 82.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.33 111.103 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' 2102 ' ' LEU . 5.0 mp -60.55 -56.6 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 1.47 112.172 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.3 t -68.52 -28.19 66.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 0.67 110.309 -175.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.99 -46.6 64.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.247 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.57 -51.34 63.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.005 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.468 ' OG1' ' HG ' ' A' 2112 ' ' LEU . 31.9 p -71.49 -31.32 66.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.33 109.891 -171.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.92 7.54 61.17 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 114.791 -1.095 . . . . 0.36 111.727 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' 2136 ' ' LEU . 0.1 OUTLIER -99.8 -158.27 0.66 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.118 -0.541 . . . . 0.47 110.024 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -136.43 124.82 23.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.048 -0.978 . . . . 0.43 110.017 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 68.5 mt -133.73 153.57 80.15 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.168 -0.924 . . . . 1.25 111.617 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.573 ' O ' ' HG ' ' A' 2118 ' ' LEU . 43.6 Cg_endo -84.91 153.19 11.3 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 123.548 2.832 . . . . 0.33 112.0 176.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.2 -2.47 12.11 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.223 1.948 . . . . 0.46 111.451 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.5 p -91.96 0.2 57.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.36 111.523 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.5 mt -38.82 -65.46 0.36 Allowed 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 112.657 0.614 . . . . 0.79 112.657 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2094 ' ' ILE . 8.8 mm -55.54 -26.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.57 -1.195 . . . . 0.28 111.728 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -85.35 -29.48 24.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.38 111.532 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.56 -30.1 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 1.34 110.828 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -138.95 76.97 32.82 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.558 -0.746 . . . . 0.43 109.175 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' 2124 ' ' THR . 18.0 Cg_endo -92.51 103.13 0.19 Allowed 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.007 1.805 . . . . 0.25 112.333 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.752 HG23 ' O ' ' A' 2123 ' ' PRO . 2.8 p 168.33 154.59 0.14 Allowed Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 127.598 2.359 . . . . 0.13 105.214 161.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.57 ' HA ' HG11 ' A' 2067 ' ' VAL . 41.3 Cg_exo -55.81 -37.32 95.86 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 CA-C-N 121.135 1.441 . . . . 0.14 110.267 172.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.579 ' O ' ' HG3' ' A' 2130 ' ' GLN . 46.4 t60 -65.18 -48.14 74.48 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.435 -0.802 . . . . 0.42 111.57 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.65 70.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.933 0.396 . . . . 0.13 111.324 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.513 HD11 HD13 ' A' 2119 ' ' ILE . 46.0 mt -74.53 -32.13 62.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.365 -0.38 . . . . 0.14 111.506 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.3 m -59.28 -29.07 67.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 0.24 109.208 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -79.32 -48.05 14.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.007 -0.997 . . . . 1.66 109.649 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.6 t60 -60.81 -51.56 68.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.834 -0.621 . . . . 0.35 111.31 -176.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2128 ' ' LEU . 27.0 mt -63.4 -32.08 73.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.04 -0.527 . . . . 1.13 111.178 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -69.54 -39.47 77.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.114 -0.698 . . . . 0.31 109.114 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 98.6 m -61.97 -42.84 99.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.666 -0.697 . . . . 0.36 110.503 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' 2131 ' ' HIS . 20.2 mmm180 -59.39 -50.76 72.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.799 0.333 . . . . 1.64 111.611 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.602 ' CD2' HD21 ' A' 2112 ' ' LEU . 31.9 mt -64.62 -25.18 67.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.675 0.62 . . . . 0.97 112.675 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.029 0.442 . . . . 0.68 111.551 -175.256 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.626 ' O ' ' HG3' ' A' 2060 ' ' GLN . 63.6 Cg_exo . . . . . 0 N--CA 1.464 -0.254 0 N-CA-C 113.553 0.559 . . . . 0.86 113.553 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.74 -35.68 78.81 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 123.169 0.293 . . . . 1.95 111.284 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -65.22 -42.3 93.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.944 0.402 . . . . 1.6 110.021 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.742 ' O ' ' HB ' ' A' 2062 ' ' THR . 38.4 mt-30 -63.83 -39.01 93.21 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.175 -0.466 . . . . 1.5 109.765 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' 2056 ' ' PRO . 68.8 mt-30 -56.68 -53.12 61.37 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.95 -0.389 . . . . 0.95 109.95 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.711 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 78.2 mt-30 -51.86 -31.75 29.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 1.32 111.463 176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.742 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.7 m -56.18 -57.27 12.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.553 -0.749 . . . . 0.77 111.143 173.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' 2059 ' ' GLN . 1.4 mm? -65.51 -36.88 85.16 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.123 0.963 . . . . 1.32 109.162 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -59.06 -32.49 69.81 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 113.512 -1.676 . . . . 0.51 110.291 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 41.1 m -89.58 -43.72 10.58 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.256 -1.338 . . . . 0.41 110.532 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.544 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.4 tp -56.4 -60.04 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 1.35 110.836 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.462 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 62.6 t -54.47 -42.32 58.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.224 -1.353 . . . . 0.22 111.271 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.18 64.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.806 -0.634 . . . . 0.17 111.228 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.433 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -64.04 -27.85 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.307 0.575 . . . . 0.23 110.33 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.56 -47.18 79.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.384 -0.825 . . . . 0.24 110.125 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.796 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.2 t -86.24 -24.83 25.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.856 -0.738 . . . . 0.28 110.442 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.02 -51.56 30.21 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 165.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -62.73 -51.29 67.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.149 -0.932 . . . . 0.46 111.197 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.832 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.73 -42.0 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 113.566 0.95 . . . . 0.56 113.566 -175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' 2071 ' ' THR . 17.4 mt -76.83 -28.47 55.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.939 -0.476 . . . . 0.74 110.715 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.21 13.17 13.82 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.644 -0.789 . . . . 0.93 112.56 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 15.6 p80 -122.37 96.04 4.88 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.993 -0.743 . . . . 0.97 108.993 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -49.43 -35.59 19.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.158 1.54 . . . . 1.56 115.158 -162.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.5 t -88.45 145.21 35.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 118.655 -1.218 . . . . 1.82 112.371 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -85.37 -2.36 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 125.116 3.877 . . . . 0.51 112.014 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.19 -18.62 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 1.54 110.71 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 45.4 t -106.58 19.74 20.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.87 -0.605 . . . . 0.63 110.096 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.671 HD12 HG23 ' A' 2071 ' ' THR . 19.6 mm -98.4 112.58 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.137 -0.483 . . . . 0.25 110.408 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 38.4 m -82.94 113.1 43.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.278 -0.419 . . . . 0.28 110.157 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.508 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.8 Cg_endo -65.67 -28.5 52.29 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 122.454 2.102 . . . . 0.15 112.558 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.87 -30.46 45.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.14 111.491 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.493 ' O ' HG22 ' A' 2124 ' ' THR . 41.3 m -74.87 145.61 42.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.147 -0.686 . . . . 0.16 109.147 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.548 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.01 145.62 29.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.192 -0.913 . . . . 0.15 110.05 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 40.6 m-85 -48.98 -38.88 24.49 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.929 0.768 . . . . 0.12 111.936 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -47.59 -61.4 1.95 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.972 -0.558 . . . . 1.69 111.0 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.0 -17.15 64.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.526 -0.761 . . . . 2.27 111.804 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.35 -14.83 48.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.24 111.831 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 115.29 12.67 9.6 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.335 -0.936 . . . . 0.2 113.457 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.528 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -75.7 132.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 112.566 0.58 . . . . 0.32 112.566 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -107.97 -178.27 3.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.969 -0.752 . . . . 1.86 108.969 172.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 25.2 m -64.15 -38.02 89.54 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.824 -0.35 . . . . 1.32 111.1 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.4 tp -62.06 -55.46 28.82 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.406 0.682 . . . . 1.61 110.746 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.832 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.77 -25.99 63.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.639 -0.709 . . . . 0.19 112.827 -178.278 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.61 -23.8 64.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.833 0.825 . . . . 0.24 109.496 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.88 -36.59 14.97 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.786 -1.097 . . . . 1.15 108.853 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.5 mt-10 -67.51 -38.15 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.46 111.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' 2106 ' ' LEU . 10.7 mt -56.86 -65.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.002 0.43 . . . . 1.13 111.034 174.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -51.23 -34.39 32.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.89 -1.05 . . . . 2.11 110.55 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -57.71 -53.13 61.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.429 . . . . 0.4 110.606 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.3 m -64.78 -41.32 95.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.879 -0.6 . . . . 0.33 110.646 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' 2102 ' ' LEU . 6.7 mp -63.05 -53.78 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 1.47 111.387 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.525 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 4.8 t -65.21 -28.6 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.195 0.522 . . . . 0.67 110.295 -176.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.42 -45.68 65.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 1.29 110.303 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.62 -39.35 67.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.723 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 41.5 p -80.2 -22.05 42.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.295 0.569 . . . . 0.33 109.587 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 85.29 1.34 88.25 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.114 -0.948 . . . . 0.36 112.032 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.83 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -95.26 -159.22 0.7 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.166 0.507 . . . . 0.47 109.876 -177.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2113 ' ' ASP . . . . . 0.525 ' HA ' ' OG1' ' A' 2107 ' ' THR . 24.6 t70 -140.13 113.72 8.65 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.927 -1.033 . . . . 0.43 110.016 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.519 HD21 HD12 ' A' 2112 ' ' LEU . 2.9 mm? -116.6 151.26 46.89 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 113.808 -1.542 . . . . 1.25 110.557 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' 2118 ' ' LEU . 92.7 Cg_endo -72.03 157.44 54.45 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.411 2.741 . . . . 0.33 111.723 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.9 Cg_endo -75.3 -2.8 13.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.06 1.84 . . . . 0.46 111.281 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -97.5 4.69 50.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.5 -0.773 . . . . 0.36 110.856 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' 2115 ' ' PRO . 14.6 tp -43.69 -58.1 2.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.636 0.775 . . . . 0.79 112.723 177.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.593 HD13 HD11 ' A' 2128 ' ' LEU . 31.6 mm -55.64 -31.05 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.071 -0.968 . . . . 0.28 111.373 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -84.4 -29.97 25.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.891 -0.595 . . . . 0.38 111.439 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.88 -34.06 33.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.671 . . . . 1.34 111.232 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.58 79.77 28.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.345 -0.983 . . . . 0.43 108.345 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' 2124 ' ' THR . 36.1 Cg_endo -91.58 103.14 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.859 1.706 . . . . 0.25 112.642 -169.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.661 HG23 ' O ' ' A' 2123 ' ' PRO . 1.4 p 167.21 157.57 0.12 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.526 2.33 . . . . 0.13 105.419 160.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.432 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.7 Cg_exo -55.88 -38.7 94.2 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 CA-C-N 121.14 1.443 . . . . 0.14 110.163 172.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 76.9 t60 -68.31 -45.19 73.64 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.76 -0.654 . . . . 0.42 111.716 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.59 -36.48 66.96 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.194 0.521 . . . . 0.13 110.867 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.593 HD11 HD13 ' A' 2119 ' ' ILE . 42.3 mt -78.97 -30.97 44.77 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.022 -0.536 . . . . 0.14 111.384 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 51.5 m -57.53 -33.15 67.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.075 -0.713 . . . . 0.24 109.075 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 0.8 OUTLIER -79.41 -49.24 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.226 -0.897 . . . . 1.66 110.228 178.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -61.73 -54.83 37.25 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 111.781 0.289 . . . . 0.35 111.781 -175.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.9 mm? -59.26 -35.58 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.279 -0.168 . . . . 1.13 111.216 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -65.56 -40.12 92.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.566 -0.531 . . . . 0.31 109.566 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.7 m -64.45 -48.04 76.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.553 -0.748 . . . . 0.36 110.264 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.59 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.9 mmm180 -52.45 -48.43 65.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 1.64 111.721 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.83 HD23 HD21 ' A' 2112 ' ' LEU . 72.3 mt -65.66 -26.67 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.566 0.58 . . . . 0.97 112.566 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 112.189 0.44 . . . . 0.68 112.189 -170.775 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' 2060 ' ' GLN . 7.0 Cg_exo . . . . . 0 N--CA 1.457 -0.651 0 N-CA-C 113.987 0.726 . . . . 0.86 113.987 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2057 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.8 tp-100 -62.87 -36.2 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.048 0.218 . . . . 1.95 110.922 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -61.64 -45.23 94.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.653 -0.499 . . . . 1.6 109.653 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.474 ' O ' ' HB ' ' A' 2062 ' ' THR . 49.0 mt-30 -61.1 -40.2 92.84 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.957 -0.565 . . . . 1.5 110.232 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' 2056 ' ' PRO . 44.5 mt-30 -61.58 -54.86 37.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.202 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 25.7 mt-30 -54.2 -36.85 63.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 1.32 111.459 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.7 m -57.58 -52.69 64.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.76 -0.655 . . . . 0.77 111.246 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -78.71 -19.29 52.76 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.963 0.887 . . . . 1.32 109.567 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.05 -48.59 65.19 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.137 -1.392 . . . . 0.51 108.336 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 93.7 m -63.97 -35.91 82.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 113.978 -1.465 . . . . 0.41 110.506 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -59.68 4.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.894 -0.78 . . . . 1.35 108.894 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' 2063 ' ' LEU . 54.7 t -54.28 -44.9 67.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.795 -1.093 . . . . 0.22 110.92 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -63.48 -51.54 65.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.083 -0.962 . . . . 0.17 111.708 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.65 -29.75 70.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.008 0.432 . . . . 0.23 110.778 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.83 84.03 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.731 -0.668 . . . . 0.24 110.377 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.794 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.7 -24.98 23.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.078 -0.649 . . . . 0.28 110.347 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -45.9 60.26 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.905 -0.776 . . . . 0.31 108.905 166.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.2 m -71.92 -48.55 44.67 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.46 111.186 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.729 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -60.01 -42.62 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.095 0.776 . . . . 0.56 113.095 -176.223 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' 2071 ' ' THR . 9.2 mt -77.61 -27.01 51.07 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.301 0.572 . . . . 0.74 109.793 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 97.86 44.19 2.71 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.344 -0.844 . . . . 0.93 112.932 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.59 -1.47 2.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.243 0.521 . . . . 0.97 112.246 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.522 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.3 m-70 67.5 -38.48 0.35 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.463 1.653 . . . . 1.56 115.463 168.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.5 p -79.09 123.06 85.02 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 113.482 0.919 . . . . 1.82 113.482 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.7 Cg_exo -83.75 -19.71 4.92 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.972 3.115 . . . . 0.51 110.91 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.29 -22.31 57.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.467 -0.788 . . . . 1.54 110.372 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.2 t -94.38 20.43 8.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.63 110.036 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.624 HD12 HG23 ' A' 2071 ' ' THR . 13.4 mm -99.35 119.58 47.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.322 -0.854 . . . . 0.25 109.795 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 6.5 m -85.64 109.1 19.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.28 110.403 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.462 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.9 Cg_endo -65.9 -27.62 50.92 Favored 'Trans proline' 0 CA--C 1.515 -0.472 0 C-N-CA 122.519 2.146 . . . . 0.15 112.564 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -79.5 -29.95 41.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.686 -0.688 . . . . 0.14 111.008 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.482 ' O ' HG22 ' A' 2124 ' ' THR . 40.9 m -74.73 146.73 41.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.409 0.624 . . . . 0.16 109.722 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.59 143.89 29.83 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.007 -0.997 . . . . 0.15 109.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.519 ' HB3' HG13 ' A' 2094 ' ' ILE . 39.8 m-85 -49.59 -37.4 27.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.275 -0.875 . . . . 0.12 111.91 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.54 -64.7 0.7 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.141 -0.481 . . . . 1.69 110.883 172.011 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' 2087 ' ' THR . 8.0 m-20 -56.74 -30.47 63.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 2.27 111.422 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 2089 ' ' PHE . 80.8 mt -75.06 -16.07 60.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.782 -0.644 . . . . 0.24 111.973 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 116.69 8.03 12.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.342 -0.932 . . . . 0.2 113.441 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2119 ' ' ILE . 2.4 mm -69.8 132.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.816 0.673 . . . . 0.32 112.816 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -108.7 178.76 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.14 -0.936 . . . . 1.86 109.016 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 10.4 p -60.68 -43.09 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.137 0.494 . . . . 1.32 110.627 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' 2100 ' ' LEU . 12.8 tp -58.23 -52.63 64.78 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.279 -0.873 . . . . 1.61 111.366 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.729 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.33 -26.06 60.88 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 112.958 0.725 . . . . 0.19 112.958 -179.593 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.597 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.86 -21.56 63.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 0.24 109.325 171.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.1 OUTLIER -85.53 -48.48 8.9 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.347 -1.297 . . . . 1.15 108.469 177.616 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.569 ' N ' HD13 ' A' 2100 ' ' LEU . 22.9 mt-10 -56.98 -39.35 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.46 111.974 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' 2071 ' ' THR . 6.9 mt -56.81 -64.09 0.99 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.144 0.497 . . . . 1.13 110.707 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.0 OUTLIER -48.55 -38.46 20.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.693 -1.14 . . . . 2.11 111.242 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -59.52 -38.94 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.309 . . . . 0.4 111.418 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.54 -39.16 28.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.155 0.503 . . . . 0.33 110.548 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' 2102 ' ' LEU . 6.2 mp -63.35 -56.05 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.539 -0.755 . . . . 1.47 111.423 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -64.36 -27.81 69.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.055 0.455 . . . . 0.67 110.115 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.5 t60 -67.98 -49.9 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.773 -0.649 . . . . 1.29 110.312 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.14 -42.57 84.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.011 -0.995 . . . . 0.4 112.502 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.426 ' HB ' HD21 ' A' 2136 ' ' LEU . 41.5 p -78.66 -23.62 45.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.505 0.669 . . . . 0.33 109.777 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.58 7.65 85.88 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.999 -1.0 . . . . 0.36 112.099 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.796 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -97.31 -159.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.508 . . . . 0.47 109.761 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.96 121.51 14.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.16 -0.927 . . . . 0.43 109.36 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.417 HD13 HD11 ' A' 2118 ' ' LEU . 58.5 mt -133.67 161.01 66.31 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 114.966 -1.015 . . . . 1.25 111.359 -167.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' 2118 ' ' LEU . 62.7 Cg_endo -83.76 151.9 13.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.165 2.576 . . . . 0.33 111.899 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.98 -4.42 15.1 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.225 1.95 . . . . 0.46 111.5 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.9 p -93.21 1.97 56.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.36 111.728 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' 2115 ' ' PRO . 48.1 mt -41.22 -57.83 1.98 Allowed 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.959 0.885 . . . . 0.79 111.442 171.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2094 ' ' ILE . 9.5 mm -54.75 -27.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 113.163 -1.835 . . . . 0.28 111.495 -176.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -91.36 -33.56 15.23 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.002 -0.545 . . . . 0.38 111.664 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.89 -37.29 40.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.693 0.759 . . . . 1.34 110.743 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -132.71 77.93 67.92 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.992 -1.114 . . . . 0.43 107.992 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.746 ' O ' HG23 ' A' 2124 ' ' THR . 38.9 Cg_endo -91.14 103.23 0.26 Allowed 'Trans proline' 0 N--CA 1.436 -1.858 0 C-N-CA 121.575 1.517 . . . . 0.25 112.607 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.746 HG23 ' O ' ' A' 2123 ' ' PRO . 5.2 p 167.78 158.31 0.14 Allowed Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 128.181 2.592 . . . . 0.13 104.789 159.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.45 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 36.3 Cg_exo -55.45 -37.6 94.71 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 CA-C-N 121.31 1.504 . . . . 0.14 110.367 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.457 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 76.6 t60 -71.09 -40.31 71.62 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.858 -0.61 . . . . 0.42 111.957 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.37 77.79 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.249 0.547 . . . . 0.13 110.496 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.57 HD11 HD13 ' A' 2119 ' ' ILE . 44.3 mt -75.81 -29.04 58.56 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.078 -0.51 . . . . 0.14 111.291 176.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.478 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.1 m -60.4 -28.84 68.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.815 -0.809 . . . . 0.24 108.815 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -80.49 -48.55 12.64 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.102 -0.954 . . . . 1.66 110.296 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.402 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.5 t60 -60.99 -52.09 66.5 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.537 -0.301 . . . . 0.35 111.417 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.7 mm? -62.28 -33.48 74.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.128 -0.229 . . . . 1.13 111.442 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -70.44 -37.08 74.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.48 -0.563 . . . . 0.31 109.48 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 35.0 m -65.97 -44.84 83.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.819 -0.628 . . . . 0.36 110.802 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.71 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -57.22 -47.53 81.09 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.972 0.36 . . . . 1.64 111.972 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.796 HD23 HD21 ' A' 2112 ' ' LEU . 90.0 mt -70.53 -45.96 64.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.502 0.556 . . . . 0.97 112.502 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.1 p . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 121.088 0.47 . . . . 0.68 111.464 -173.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.71 ' O ' ' HG3' ' A' 2060 ' ' GLN . 44.8 Cg_exo . . . . . 0 C--O 1.23 0.079 0 N-CA-C 113.913 0.697 . . . . 0.86 113.913 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2057 ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.9 tp-100 -63.52 -38.35 90.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.819 -0.173 . . . . 1.95 111.417 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -61.48 -43.55 98.66 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.635 -0.505 . . . . 1.6 109.635 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.452 ' O ' ' HB ' ' A' 2062 ' ' THR . 52.9 mt-30 -63.77 -41.08 98.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.555 -0.748 . . . . 1.5 110.244 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -60.26 -59.24 5.72 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.342 -0.39 . . . . 0.95 110.379 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.514 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 93.0 mt-30 -52.96 -35.87 59.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.341 0.4 . . . . 1.32 111.508 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' 2059 ' ' GLN . 90.1 m -56.34 -54.41 45.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.825 -0.625 . . . . 0.77 111.305 172.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -79.07 -19.34 51.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.911 0.862 . . . . 1.32 109.704 -175.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.13 -51.18 49.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.118 -1.401 . . . . 0.51 108.463 175.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.7 m -61.88 -33.88 75.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.828 -1.533 . . . . 0.41 110.522 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.476 HD11 ' CB ' ' A' 2109 ' ' ASN . 0.0 OUTLIER -59.98 -59.25 5.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.909 -0.774 . . . . 1.35 108.909 175.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.466 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -54.29 -43.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 0.22 110.783 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.577 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.93 70.21 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.81 -1.086 . . . . 0.17 111.4 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.504 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -59.97 -32.92 71.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.971 0.415 . . . . 0.23 110.76 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.46 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -61.54 -46.81 88.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.409 -0.814 . . . . 0.24 110.467 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.745 ' O ' ' HG ' ' A' 2075 ' ' LEU . 11.8 t -88.55 -24.17 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 119.843 -0.743 . . . . 0.28 110.916 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -53.91 -45.15 71.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.644 -0.873 . . . . 0.31 108.644 167.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 76.1 m -71.85 -48.41 46.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.419 -0.809 . . . . 0.46 111.074 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.7 OUTLIER -59.94 -42.27 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.26 0.837 . . . . 0.56 113.26 -175.064 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.9 mt -82.43 -12.36 57.91 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.087 0.47 . . . . 0.74 110.069 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.72 18.08 76.1 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.93 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.2 p80 -100.55 -14.39 18.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 0.97 110.911 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.465 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.2 m-70 63.04 -176.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.28 -0.873 . . . . 1.56 111.68 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 23.0 p 53.21 115.47 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 114.514 1.301 . . . . 1.82 114.514 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.504 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.3 Cg_exo -80.86 -12.51 12.07 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 124.455 3.437 . . . . 0.51 111.193 174.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.06 -21.68 33.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.163 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.6 t -90.8 21.99 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.63 109.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.577 HG13 ' HB1' ' A' 2068 ' ' ALA . 11.6 mm -103.26 118.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.25 110.091 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 23.6 m -85.49 111.94 40.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.625 -0.261 . . . . 0.28 110.428 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 31.7 Cg_endo -68.04 -26.12 37.39 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.573 2.182 . . . . 0.15 112.563 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.34 -30.84 48.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.723 -0.671 . . . . 0.14 111.416 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.492 ' O ' HG22 ' A' 2124 ' ' THR . 26.0 m -73.31 146.86 44.99 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.373 -0.602 . . . . 0.16 109.373 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.37 142.43 31.03 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 115.215 -0.902 . . . . 0.15 109.793 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.487 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.9 m-85 -46.88 -41.75 16.32 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 123.526 0.516 . . . . 0.12 112.17 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -49.51 -60.66 2.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.318 -0.401 . . . . 1.69 111.374 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.404 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.1 t70 -57.77 -31.87 66.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 2.27 110.963 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.6 mt -70.59 -19.63 62.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 0.24 112.301 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.55 3.56 10.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.239 -0.981 . . . . 0.2 113.143 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2119 ' ' ILE . 7.8 mm -70.25 129.87 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.053 0.454 . . . . 0.32 112.054 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -110.26 -178.23 3.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.932 -0.766 . . . . 1.86 108.932 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 53.3 p -61.89 -35.22 77.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.185 0.517 . . . . 1.32 111.156 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.739 ' O ' ' HB3' ' A' 2100 ' ' LEU . 61.3 mt -67.23 -50.97 58.66 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.509 -0.769 . . . . 1.61 110.391 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.634 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -74.0 -26.42 60.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 113.041 0.756 . . . . 0.19 113.041 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.52 -20.82 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.077 0.942 . . . . 0.24 109.376 170.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.739 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -84.48 -50.26 7.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.186 -1.37 . . . . 1.15 108.55 177.396 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.518 ' N ' HD13 ' A' 2100 ' ' LEU . 18.0 mt-10 -56.11 -42.53 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.46 111.997 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.4 mt -56.83 -61.39 2.47 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.266 0.555 . . . . 1.13 110.722 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.1 tmt_? -47.94 -42.91 28.59 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.395 -1.275 . . . . 2.11 111.216 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -58.46 -47.5 83.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.4 111.196 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 19.4 m -70.39 -42.06 72.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 0.33 111.277 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 2102 ' ' LEU . 61.6 mt -68.97 -46.73 67.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.329 . . . . 1.47 111.36 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.3 t -66.88 -27.68 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.345 0.593 . . . . 0.67 109.873 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.9 t60 -68.96 -48.14 63.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.523 -0.762 . . . . 1.29 110.405 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2109 ' ' ASN . . . . . 0.476 ' CB ' HD11 ' A' 2066 ' ' LEU . 7.8 m-80 -68.97 -39.35 79.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.004 . . . . 0.4 112.798 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.41 HG21 HD12 ' A' 2132 ' ' LEU . 40.8 p -81.12 -22.58 38.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.681 . . . . 0.33 109.971 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.48 10.73 84.11 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.077 -0.965 . . . . 0.36 112.237 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.699 HD21 HD23 ' A' 2136 ' ' LEU . 0.3 OUTLIER -97.15 -159.06 0.71 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.134 0.493 . . . . 0.47 109.882 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -138.29 116.84 12.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.147 -0.933 . . . . 0.43 109.904 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.91 151.89 76.43 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 114.297 -1.319 . . . . 1.25 111.609 -170.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.575 ' O ' ' HG3' ' A' 2103 ' ' ARG . 77.4 Cg_endo -79.06 152.49 24.47 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 123.591 2.861 . . . . 0.33 112.317 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.7 1.38 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.47 2.113 . . . . 0.46 111.695 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -100.7 3.14 42.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.549 . . . . 0.36 111.765 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 33.7 mt -39.66 -63.91 0.53 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 0.79 112.174 172.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2094 ' ' ILE . 10.9 mm -56.9 -25.68 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.564 -174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -84.45 -31.94 24.32 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.808 0.337 . . . . 0.38 111.683 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -89.33 -39.1 13.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.198 0.523 . . . . 1.34 111.024 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -123.83 71.26 50.61 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.586 -0.894 . . . . 0.43 108.586 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.728 ' O ' HG23 ' A' 2124 ' ' THR . 10.7 Cg_endo -91.58 104.09 0.24 Allowed 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.134 1.89 . . . . 0.25 112.619 -172.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.728 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.63 155.89 0.13 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.706 2.403 . . . . 0.13 104.896 160.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.6 Cg_exo -54.97 -39.52 90.35 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 CA-C-N 121.475 1.562 . . . . 0.14 109.908 171.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' 2130 ' ' GLN . 38.4 t60 -62.92 -48.49 78.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.561 -0.745 . . . . 0.42 111.726 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.73 73.98 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.86 0.362 . . . . 0.13 111.193 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.437 HD12 ' CE2' ' A' 2089 ' ' PHE . 48.7 mt -74.32 -30.23 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.475 -0.329 . . . . 0.14 111.477 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.431 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 57.8 m -59.78 -28.8 67.72 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.743 0.782 . . . . 0.24 109.162 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.6 mt-30 -80.63 -47.0 14.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.955 . . . . 1.66 110.106 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.24 -52.79 63.3 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.382 -0.372 . . . . 0.35 111.673 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.9 mm? -63.85 -32.12 73.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.575 0.226 . . . . 1.13 111.143 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -70.45 -38.13 74.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.556 -0.535 . . . . 0.31 109.556 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 27.7 m -65.4 -50.31 65.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.881 -0.599 . . . . 0.36 110.457 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.676 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.2 mmm180 -47.54 -53.17 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.699 HD23 HD21 ' A' 2112 ' ' LEU . 67.1 mt -66.5 -39.91 88.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.009 -0.541 . . . . 0.97 112.304 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.68 112.215 -171.279 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.739 ' O ' ' HG3' ' A' 2060 ' ' GLN . 38.5 Cg_exo . . . . . 0 N--CA 1.466 -0.138 0 N-CA-C 114.056 0.752 . . . . 0.86 114.056 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.74 -39.18 87.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.894 0.331 . . . . 1.95 111.894 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.73 -41.3 86.1 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.277 0.56 . . . . 1.6 109.913 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' 2062 ' ' THR . 72.5 mt-30 -67.99 -44.67 76.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.595 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.739 ' HG3' ' O ' ' A' 2056 ' ' PRO . 64.2 mt-30 -59.31 -60.41 3.9 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.114 -0.494 . . . . 0.95 111.132 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.503 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.3 mt-30 -50.26 -37.19 34.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.025 0.44 . . . . 1.32 111.688 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' 2059 ' ' GLN . 87.0 m -55.96 -54.6 42.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.499 -0.773 . . . . 0.77 111.483 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.17 -19.9 46.05 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.905 0.859 . . . . 1.32 109.625 -176.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.82 -48.35 69.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.98 -1.464 . . . . 0.51 108.488 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 40.2 m -65.85 -34.75 78.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.311 -1.313 . . . . 0.41 110.942 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -57.94 10.47 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.063 -0.717 . . . . 1.35 109.063 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2067 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.25 -43.77 77.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.038 -0.983 . . . . 0.22 111.149 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.507 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.58 -47.6 75.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.175 -0.92 . . . . 0.17 111.446 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.62 -29.84 70.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.042 0.448 . . . . 0.23 110.745 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.27 80.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.241 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.809 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.9 t -85.53 -26.36 26.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 119.899 -0.721 . . . . 0.28 110.541 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.63 -46.84 58.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.167 -0.679 . . . . 0.31 109.167 166.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 91.4 m -70.79 -47.85 57.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.544 -0.753 . . . . 0.46 110.988 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.08 -42.23 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.086 0.773 . . . . 0.56 113.086 -176.34 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.809 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.3 mt -80.3 -21.09 42.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.21 0.528 . . . . 0.74 109.998 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 90.95 36.55 6.68 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.478 -0.783 . . . . 0.93 113.332 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.2 p80 -123.37 -9.53 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 0.97 111.061 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 90.0 m-70 71.65 -31.88 0.23 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.804 1.409 . . . . 1.56 114.804 166.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.2 p -81.15 124.32 81.05 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.27 0.841 . . . . 1.82 113.27 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' 2079 ' ' THR . 4.4 Cg_exo -85.86 -10.76 7.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.963 3.109 . . . . 0.51 110.544 173.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.65 -18.81 43.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.109 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.8 t -97.61 21.79 9.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.234 0.54 . . . . 0.63 110.413 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 HG23 ' A' 2071 ' ' THR . 13.9 mm -104.2 114.51 43.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.819 -0.628 . . . . 0.25 110.723 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.5 m -83.12 113.5 46.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.28 110.341 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.47 ' O ' ' HB ' ' A' 2124 ' ' THR . 26.5 Cg_endo -68.04 -26.39 37.11 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.4 2.066 . . . . 0.15 112.305 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.78 55.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.596 -0.729 . . . . 0.14 111.4 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 26.7 m -76.31 145.6 39.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.357 0.598 . . . . 0.16 109.44 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.76 141.46 33.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.201 -0.909 . . . . 0.15 109.595 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.512 ' HB3' HG13 ' A' 2094 ' ' ILE . 43.8 m-85 -45.19 -42.76 9.51 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.691 0.619 . . . . 0.12 111.498 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.03 -64.16 0.68 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.316 -0.857 . . . . 1.69 111.746 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.451 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.5 t70 -60.94 -30.99 70.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 2.27 111.105 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.2 mt -70.9 -12.86 61.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 0.24 112.41 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 110.88 14.56 12.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.245 -0.979 . . . . 0.2 112.683 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2119 ' ' ILE . 5.0 mm -79.83 118.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.202 0.525 . . . . 0.32 112.0 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.93 178.26 6.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.468 -0.787 . . . . 1.86 108.948 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.6 m -68.44 -30.52 69.41 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 118.231 0.469 . . . . 1.32 110.817 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' 2100 ' ' LEU . 69.7 mt -71.87 -48.89 42.68 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.245 0.545 . . . . 1.61 110.192 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.7 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.01 -27.35 61.73 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 112.963 0.727 . . . . 0.19 112.963 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.409 ' CA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -25.08 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.504 -0.925 . . . . 0.24 108.504 168.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.769 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 4.0 tp -86.92 -41.32 14.05 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 114.343 -1.299 . . . . 1.15 109.667 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.2 mt-10 -60.76 -35.58 76.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.874 -0.603 . . . . 0.46 110.582 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' 2071 ' ' THR . 7.9 mt -58.54 -70.7 0.13 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.345 0.498 . . . . 1.13 112.345 174.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.784 ' HB2' HD12 ' A' 2118 ' ' LEU . 0.0 OUTLIER -57.09 -26.21 60.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.903 -0.319 . . . . 2.11 111.027 -176.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -60.15 -56.74 17.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.08 0.466 . . . . 0.4 110.186 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 30.6 m -62.87 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.576 -0.738 . . . . 0.33 110.938 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.8 mp -61.51 -58.19 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.726 -0.67 . . . . 1.47 111.731 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 3.2 t -63.98 -28.05 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.67 110.294 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -66.43 -52.35 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.385 0.612 . . . . 1.29 110.442 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -66.96 -39.26 87.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.664 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.55 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 54.6 p -77.96 -23.87 48.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.648 0.737 . . . . 0.33 110.061 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.01 5.13 86.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.001 -1.0 . . . . 0.36 111.181 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.811 HD21 HD23 ' A' 2136 ' ' LEU . 11.2 mt -85.16 -168.5 2.24 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.647 -0.776 . . . . 0.47 110.337 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -136.92 122.3 19.43 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.605 -1.18 . . . . 0.43 108.811 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.588 HD13 HD11 ' A' 2118 ' ' LEU . 64.7 mt -130.14 159.53 69.87 Favored Pre-proline 0 C--N 1.305 -1.357 0 CA-C-N 114.916 -1.038 . . . . 1.25 111.3 -168.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' 2114 ' ' LEU . 95.8 Cg_endo -77.87 151.51 27.86 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.648 2.232 . . . . 0.33 111.06 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.621 ' HB2' ' NH2' ' A' 2103 ' ' ARG . 87.9 Cg_endo -81.14 13.86 2.26 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.657 1.572 . . . . 0.46 110.866 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.4 p -106.92 2.23 25.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.281 -0.872 . . . . 0.36 111.619 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' 2103 ' ' ARG . 15.3 mt -38.79 -67.09 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.344 0.868 . . . . 0.79 113.344 175.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2094 ' ' ILE . 12.5 mm -58.61 -21.35 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.202 -0.908 . . . . 0.28 111.605 -174.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.92 -38.83 16.33 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.301 -0.408 . . . . 0.38 111.642 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.5 -37.59 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.364 0.602 . . . . 1.34 111.175 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2122 ' ' HIS . . . . . 0.515 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 57.3 m-70 -127.52 74.37 77.88 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.43 108.692 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.765 ' O ' HG23 ' A' 2124 ' ' THR . 18.5 Cg_endo -91.91 101.97 0.21 Allowed 'Trans proline' 0 N--CA 1.434 -2.027 0 C-N-CA 121.922 1.748 . . . . 0.25 111.774 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.765 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 169.05 154.34 0.16 Allowed Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 127.808 2.443 . . . . 0.13 104.749 163.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.72 -38.06 94.78 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 CA-C-N 121.087 1.424 . . . . 0.14 110.033 171.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.516 ' O ' ' HG3' ' A' 2130 ' ' GLN . 57.4 t60 -64.66 -47.11 79.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.42 111.966 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.01 -40.85 70.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.023 0.439 . . . . 0.13 111.228 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.517 HD11 HD13 ' A' 2119 ' ' ILE . 46.7 mt -76.16 -30.33 58.07 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.317 -0.401 . . . . 0.14 111.452 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.4 m -59.92 -26.2 65.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.663 0.744 . . . . 0.24 109.206 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.0 mt-30 -80.24 -47.05 15.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.838 . . . . 1.66 110.068 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.98 -51.92 54.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.348 -0.387 . . . . 0.35 111.831 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.486 HD11 HD11 ' A' 2114 ' ' LEU . 2.3 mm? -62.57 -32.59 73.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.173 -0.211 . . . . 1.13 111.084 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -66.66 -39.62 88.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.249 -0.649 . . . . 0.31 109.249 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 41.4 m -67.27 -40.57 86.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.632 -0.713 . . . . 0.36 110.765 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' 2112 ' ' LEU . 7.2 mmm180 -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.61 0.243 . . . . 1.64 111.304 -175.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.811 HD23 HD21 ' A' 2112 ' ' LEU . 95.8 mt -79.76 -11.76 59.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.97 111.831 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.8 p . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.517 . . . . 0.68 110.674 177.827 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' 2060 ' ' GLN . 66.1 Cg_exo . . . . . 0 CA--C 1.531 0.369 0 N-CA-C 114.066 0.756 . . . . 0.86 114.066 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.85 -40.68 95.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 1.95 111.134 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.38 -42.39 96.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.29 -0.633 . . . . 1.6 109.29 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.576 ' O ' ' HB ' ' A' 2062 ' ' THR . 90.0 mt-30 -54.61 -43.12 71.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.803 -1.09 . . . . 1.5 110.656 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' 2056 ' ' PRO . 18.3 mt-30 -59.25 -60.81 3.26 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 115.779 -0.646 . . . . 0.95 110.245 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 41.8 mt-30 -52.61 -36.44 56.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 1.32 111.704 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.8 m -53.02 -57.11 11.48 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.432 -0.804 . . . . 0.77 111.581 171.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.7 pp -80.63 -18.39 48.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.917 0.865 . . . . 1.32 109.458 -174.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.66 -45.76 81.73 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.917 -1.492 . . . . 0.51 108.511 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -65.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.206 -1.361 . . . . 0.41 110.409 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -55.61 27.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.985 -0.746 . . . . 1.35 108.985 173.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 2063 ' ' LEU . 75.1 t -52.45 -49.25 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.39 -0.823 . . . . 0.22 110.63 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.54 -49.8 76.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.537 -1.21 . . . . 0.17 111.827 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.83 -32.14 72.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.091 0.472 . . . . 0.23 110.895 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.76 85.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.614 -0.721 . . . . 0.24 110.346 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.816 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.17 -26.24 25.25 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.178 -0.609 . . . . 0.28 110.422 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.531 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.38 -44.26 54.81 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.187 -0.672 . . . . 0.31 109.187 167.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 81.8 m -71.55 -49.21 42.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.428 -0.805 . . . . 0.46 110.892 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.727 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.38 -42.35 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 113.189 0.811 . . . . 0.56 113.189 -176.018 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.0 mt -79.22 -24.54 43.04 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.377 0.608 . . . . 0.74 109.935 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.47 55.42 1.45 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.35 -0.841 . . . . 0.93 112.864 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.47 -5.0 0.44 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.328 0.492 . . . . 0.97 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.531 ' C ' ' HB1' ' A' 2072 ' ' ALA . 76.4 m-70 68.48 -34.0 0.25 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.311 1.597 . . . . 1.56 115.311 169.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.8 p -80.16 123.67 83.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.502 0.927 . . . . 1.82 113.502 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' 2079 ' ' THR . 5.4 Cg_exo -83.62 -15.76 7.12 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.807 3.005 . . . . 0.51 111.156 174.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.56 -19.71 45.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.735 -0.666 . . . . 1.54 110.663 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.4 t -93.87 22.07 6.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.63 109.935 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.639 HD12 HG23 ' A' 2071 ' ' THR . 11.4 mm -105.14 111.71 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.561 -0.745 . . . . 0.25 110.422 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 112.23 34.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.546 -0.297 . . . . 0.28 110.558 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.527 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.21 -28.9 39.9 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 C-N-CA 122.55 2.167 . . . . 0.15 112.62 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.32 55.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.64 -0.709 . . . . 0.14 111.076 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 47.7 m -82.2 148.68 28.31 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.535 0.683 . . . . 0.16 109.285 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.586 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.56 142.17 32.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.797 -1.092 . . . . 0.15 109.583 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -49.1 -35.71 16.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.205 -0.907 . . . . 0.12 112.007 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.622 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.41 -64.8 0.7 Allowed 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 123.556 0.535 . . . . 1.69 110.574 174.526 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.8 t70 -55.58 -31.86 62.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 2.27 111.009 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' 2089 ' ' PHE . 79.3 mt -72.34 -18.11 61.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.807 -0.633 . . . . 0.24 112.048 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.84 9.23 7.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.397 -0.906 . . . . 0.2 113.708 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2119 ' ' ILE . 2.9 mm -76.27 129.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.249 0.547 . . . . 0.32 112.329 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.48 179.63 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.601 -0.727 . . . . 1.86 109.191 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 50.0 m -59.93 -34.02 72.67 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.357 0.526 . . . . 1.32 111.253 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.731 ' O ' ' HB3' ' A' 2100 ' ' LEU . 0.0 OUTLIER -64.0 -62.87 1.35 Allowed 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.628 0.771 . . . . 1.61 109.722 178.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.727 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -64.05 -26.73 68.69 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 113.976 1.102 . . . . 0.19 113.976 179.139 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.546 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.45 -20.4 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.007 0.908 . . . . 0.24 109.58 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.731 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.2 OUTLIER -87.74 -48.29 7.98 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.275 -1.329 . . . . 1.15 108.595 177.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.532 ' N ' HD13 ' A' 2100 ' ' LEU . 24.6 mt-10 -56.52 -37.2 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.193 -0.912 . . . . 0.46 111.803 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 4.3 mt -57.94 -61.74 2.32 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.458 -0.337 . . . . 1.13 111.178 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -47.99 -44.88 30.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.254 -0.885 . . . . 2.11 110.912 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.4 111.84 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.9 m -80.3 -43.45 21.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.926 0.393 . . . . 0.33 110.911 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.89 -46.87 73.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.116 -0.493 . . . . 1.47 111.864 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 2.0 t -67.3 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.397 0.618 . . . . 0.67 109.872 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.58 -48.96 52.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 1.29 110.173 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.8 -45.08 83.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.6 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.665 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.5 p -75.32 -25.94 58.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.28 0.562 . . . . 0.33 109.761 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.56 0.85 83.92 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.105 -0.952 . . . . 0.36 111.934 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.921 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -98.58 -160.35 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.455 -0.572 . . . . 0.47 109.455 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2113 ' ' ASP . . . . . 0.496 ' HA ' ' OG1' ' A' 2107 ' ' THR . 21.0 t70 -136.41 117.72 14.61 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.495 -0.775 . . . . 0.43 110.175 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.09 157.54 50.5 Favored Pre-proline 0 C--N 1.304 -1.393 0 CA-C-N 114.104 -1.407 . . . . 1.25 110.076 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.478 ' O ' ' HG ' ' A' 2118 ' ' LEU . 83.5 Cg_endo -77.08 148.39 27.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.849 2.366 . . . . 0.33 111.854 174.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.73 -11.45 30.74 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.435 2.09 . . . . 0.46 111.153 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -91.98 6.23 47.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.477 -0.783 . . . . 0.36 111.93 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 2115 ' ' PRO . 13.2 mt -37.72 -63.69 0.44 Allowed 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.598 0.713 . . . . 0.79 112.353 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2094 ' ' ILE . 6.4 mm -57.57 -24.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.113 -1.403 . . . . 0.28 111.792 -175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.07 -29.52 18.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.38 111.328 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.51 -32.02 20.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 1.34 110.881 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2122 ' ' HIS . . . . . 0.4 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 74.3 m-70 -140.77 79.8 18.73 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 108.609 -0.886 . . . . 0.43 108.609 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.95 103.39 0.22 Allowed 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 121.864 1.71 . . . . 0.25 113.153 -172.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.75 HG23 ' O ' ' A' 2123 ' ' PRO . 4.8 p 167.87 157.23 0.14 Allowed Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 128.126 2.571 . . . . 0.13 104.766 160.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.454 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.1 -37.22 96.71 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 CA-C-N 121.528 1.581 . . . . 0.14 110.132 170.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.527 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 46.0 t60 -64.49 -48.95 73.27 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.789 -0.642 . . . . 0.42 111.395 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.33 -40.57 71.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.041 0.448 . . . . 0.13 110.961 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.537 HD11 HD13 ' A' 2119 ' ' ILE . 41.3 mt -75.14 -35.91 61.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.215 -0.448 . . . . 0.14 111.645 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 99.4 m -59.22 -30.93 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.648 0.737 . . . . 0.24 109.468 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.6 mm100 -78.87 -42.06 28.31 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.117 -0.947 . . . . 1.66 110.878 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.444 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.0 t60 -71.06 -52.05 21.69 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.35 110.814 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' 2063 ' ' LEU . 25.7 mt -63.93 -27.94 69.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 1.13 111.721 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2133 ' ' HIS . . . . . 0.439 ' HB2' HD21 ' A' 2063 ' ' LEU . 16.1 t-80 -66.94 -42.83 84.62 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.894 -0.78 . . . . 0.31 108.894 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 30.9 m -62.25 -46.97 86.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.533 -0.758 . . . . 0.36 109.934 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' 2112 ' ' LEU . 14.1 mmm180 -57.68 -48.75 78.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.631 . . . . 1.64 112.412 -178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.921 HD23 HD21 ' A' 2112 ' ' LEU . 89.4 mt -65.49 -22.81 66.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.755 0.65 . . . . 0.97 112.755 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 112.649 0.611 . . . . 0.68 112.649 -172.385 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 85.3 Cg_exo . . . . . 0 N--CA 1.461 -0.42 0 N-CA-C 112.873 0.297 . . . . 0.86 112.873 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2057 ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 8.9 tt0 -62.96 -38.96 93.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.95 111.441 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.98 -43.86 98.22 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.181 0.515 . . . . 1.6 109.622 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2059 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.855 . . . . 1.5 110.089 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -61.0 -59.15 5.82 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 116.071 -0.513 . . . . 0.95 110.263 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.52 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 92.1 mt-30 -50.92 -35.37 32.78 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.305 0.378 . . . . 1.32 111.601 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 86.6 m -58.22 -55.41 35.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.788 -0.642 . . . . 0.77 111.296 173.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.3 pp -77.79 -19.04 55.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.015 0.912 . . . . 1.32 109.519 -176.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.06 -48.86 64.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.989 -1.46 . . . . 0.51 108.329 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.4 m -62.48 -35.07 78.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 113.871 -1.513 . . . . 0.41 110.304 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -58.13 -61.91 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.644 -0.872 . . . . 1.35 108.644 175.334 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 2063 ' ' LEU . 62.2 t -53.64 -45.89 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.779 -1.1 . . . . 0.22 111.087 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -66.13 -46.52 77.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.344 -0.844 . . . . 0.17 111.797 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -65.01 -30.76 71.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.23 110.509 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.05 88.98 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.24 110.257 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.819 HG23 HD12 ' A' 2083 ' ' ILE . 9.9 t -85.87 -23.63 27.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.291 -0.564 . . . . 0.28 110.383 -177.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -52.83 -46.05 67.6 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.199 -0.667 . . . . 0.31 109.199 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.0 m -65.32 -50.18 66.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.686 -1.143 . . . . 0.46 110.675 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.85 HG22 HG22 ' A' 2098 ' ' THR . 1.2 t -62.65 -44.49 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.067 -0.97 . . . . 0.56 113.25 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.9 mt -75.82 -29.95 58.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.759 0.314 . . . . 0.74 110.591 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 113.29 49.11 0.57 Allowed Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.322 -0.942 . . . . 0.93 113.944 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.3 -10.23 0.74 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.66 0.615 . . . . 0.97 112.66 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 89.5 m-70 71.05 -49.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.232 0.827 . . . . 1.56 113.232 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.4 t -89.5 144.03 31.48 Favored Pre-proline 0 C--O 1.241 0.638 0 CA-C-O 121.957 0.885 . . . . 1.82 112.115 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.494 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 1.5 Cg_endo -86.36 2.61 7.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 125.326 4.017 . . . . 0.51 111.43 -178.217 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -74.07 -4.45 35.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.374 -0.83 . . . . 1.54 110.581 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 44.8 t -118.73 18.74 13.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.63 110.034 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.819 HD12 HG23 ' A' 2071 ' ' THR . 14.3 mm -102.22 103.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.783 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 15.9 m -79.87 115.72 56.03 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.148 -0.478 . . . . 0.28 109.883 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.499 ' O ' ' HB ' ' A' 2124 ' ' THR . 18.9 Cg_endo -65.43 -28.78 54.03 Favored 'Trans proline' 0 CA--C 1.513 -0.571 0 C-N-CA 122.596 2.197 . . . . 0.15 112.494 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.28 53.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.718 -0.674 . . . . 0.14 111.113 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.445 ' O ' HG22 ' A' 2124 ' ' THR . 31.2 m -74.08 145.64 44.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.05 -0.722 . . . . 0.16 109.05 174.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -87.01 145.65 26.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.159 -0.928 . . . . 0.15 110.213 -177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 44.2 m-85 -44.3 -40.43 5.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.135 -0.938 . . . . 0.12 111.204 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -45.35 -67.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 1.69 111.726 172.789 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.9 -27.67 66.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 2.27 111.66 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.51 -15.03 58.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.981 -0.554 . . . . 0.24 112.04 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.34 17.16 5.8 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.196 -1.002 . . . . 0.2 113.903 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2119 ' ' ILE . 0.5 OUTLIER -77.37 133.74 30.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 117.222 0.511 . . . . 0.32 112.092 178.693 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -110.34 179.99 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.722 -0.672 . . . . 1.86 109.3 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 57.5 p -63.22 -33.31 75.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.356 0.598 . . . . 1.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' 2100 ' ' LEU . 50.6 mt -69.08 -48.45 62.64 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.081 -0.963 . . . . 1.61 110.47 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.85 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -75.08 -26.46 59.36 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.32 -0.854 . . . . 0.19 112.98 178.114 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.21 -21.04 58.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.061 0.934 . . . . 0.24 109.423 171.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.734 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.4 OUTLIER -84.42 -49.84 8.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.104 -1.407 . . . . 1.15 108.507 178.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.492 ' N ' HD13 ' A' 2100 ' ' LEU . 25.7 mt-10 -55.23 -43.14 74.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.808 -1.087 . . . . 0.46 112.082 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' 2071 ' ' THR . 5.8 mt -53.77 -67.17 0.28 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.88 0.371 . . . . 1.13 111.811 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.1 OUTLIER -50.53 -34.11 24.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.236 -0.893 . . . . 2.11 110.732 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' 2103 ' ' ARG . 36.2 m-20 -59.59 -52.15 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.4 111.151 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.5 m -66.21 -39.09 89.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.98 0.419 . . . . 0.33 110.776 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' 2102 ' ' LEU . 6.9 mp -64.65 -54.22 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.896 -0.593 . . . . 1.47 111.558 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.9 t -64.9 -28.12 69.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.67 110.161 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.8 t60 -66.29 -53.18 39.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.518 -0.764 . . . . 1.29 110.215 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.8 -44.3 86.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.922 -1.036 . . . . 0.4 112.736 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 54.7 p -76.18 -24.45 54.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.768 0.794 . . . . 0.33 109.435 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.18 3.1 89.11 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.878 -1.056 . . . . 0.36 112.094 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.784 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -91.77 -157.8 0.53 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.259 0.552 . . . . 0.47 109.881 -178.654 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -135.2 123.94 23.8 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.869 -1.06 . . . . 0.43 109.315 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.538 HD13 HD11 ' A' 2118 ' ' LEU . 72.7 mt -128.72 151.62 77.42 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.366 -0.833 . . . . 1.25 111.833 -169.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' 2118 ' ' LEU . 80.4 Cg_endo -80.57 155.83 21.38 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.16 2.574 . . . . 0.33 111.407 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.2 Cg_endo -77.94 -0.36 10.59 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.937 1.758 . . . . 0.46 111.432 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -96.06 -0.22 50.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.36 112.018 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.538 HD11 HD13 ' A' 2114 ' ' LEU . 30.9 mt -40.28 -62.37 0.76 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.737 0.78 . . . . 0.79 112.153 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2094 ' ' ILE . 8.6 mm -57.67 -22.61 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.77 -1.559 . . . . 0.28 111.742 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -90.27 -33.32 16.18 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.38 111.698 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.26 -41.1 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.17 0.509 . . . . 1.34 111.554 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -128.22 74.76 79.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.251 -1.018 . . . . 0.43 108.251 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' 2124 ' ' THR . 44.5 Cg_endo -92.28 102.31 0.19 Allowed 'Trans proline' 0 N--CA 1.433 -2.032 0 C-N-CA 121.622 1.548 . . . . 0.25 112.372 -170.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.739 HG23 ' O ' ' A' 2123 ' ' PRO . 2.1 p 168.97 157.05 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 127.736 2.414 . . . . 0.13 105.158 163.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -55.96 -38.73 94.24 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 CA-C-N 120.828 1.332 . . . . 0.14 109.91 170.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' A' 2130 ' ' GLN . 66.8 t60 -66.72 -46.46 75.41 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.42 112.022 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.85 73.3 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.082 0.468 . . . . 0.13 110.756 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.473 HD11 HD13 ' A' 2119 ' ' ILE . 39.9 mt -75.81 -29.18 58.59 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.14 111.442 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 55.0 m -61.85 -26.06 67.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.611 0.719 . . . . 0.24 109.211 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.8 mt-30 -80.91 -52.16 7.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.28 -0.873 . . . . 1.66 110.245 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.588 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.8 t60 -58.92 -54.09 51.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.286 -0.415 . . . . 0.35 111.502 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.413 HD11 HD11 ' A' 2114 ' ' LEU . 2.1 mm? -64.28 -29.1 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.871 0.323 . . . . 1.13 111.871 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2133 ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' 2137 ' ' THR . 11.3 t-160 -68.39 -46.04 71.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.31 109.252 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 42.0 m -64.7 -45.75 85.27 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.351 -0.386 . . . . 0.36 110.878 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.1 mmp_? -49.04 -49.32 41.88 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.847 0.356 . . . . 1.64 111.666 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.784 HD23 HD21 ' A' 2112 ' ' LEU . 97.1 mt -65.3 -38.58 90.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.089 -0.505 . . . . 0.97 112.171 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2137 ' ' THR . . . . . 0.467 HG23 ' O ' ' A' 2133 ' ' HIS . 82.5 p . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.68 111.597 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.737 ' O ' ' HG3' ' A' 2060 ' ' GLN . 28.6 Cg_exo . . . . . 0 N--CA 1.465 -0.183 0 N-CA-C 113.55 0.558 . . . . 0.86 113.55 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.35 -39.22 86.37 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.244 0.34 . . . . 1.95 111.345 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.1 -43.93 91.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.368 0.604 . . . . 1.6 109.827 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' 2062 ' ' THR . 43.1 mt-30 -66.69 -39.47 88.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.293 -0.867 . . . . 1.5 110.272 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.737 ' HG3' ' O ' ' A' 2056 ' ' PRO . 69.4 mt-30 -60.35 -58.58 7.89 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.112 -0.495 . . . . 0.95 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 56.6 mt-30 -54.48 -33.58 60.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.092 0.473 . . . . 1.32 111.573 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.589 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.9 m -53.15 -52.15 59.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.575 -0.739 . . . . 0.77 110.794 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.03 -23.77 41.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.775 0.798 . . . . 1.32 109.709 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.46 -32.05 72.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.391 -1.277 . . . . 0.51 108.858 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.1 m -85.64 -34.96 21.22 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.679 -1.601 . . . . 0.41 110.249 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -59.59 5.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.57 0.7 . . . . 1.35 109.304 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.516 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 55.5 t -55.76 -41.41 65.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.196 . . . . 0.22 110.897 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.76 -47.56 77.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.796 -1.093 . . . . 0.17 111.159 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.514 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.83 -31.55 70.97 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.116 0.484 . . . . 0.23 110.992 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.531 -0.759 . . . . 0.24 110.372 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.783 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -87.07 -24.81 24.45 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 119.869 -0.733 . . . . 0.28 110.598 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -50.71 -45.52 58.45 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.275 -0.639 . . . . 0.31 109.275 167.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.8 m -71.58 -48.95 44.96 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.296 -0.865 . . . . 0.46 110.803 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.781 HG22 HG22 ' A' 2098 ' ' THR . 0.8 OUTLIER -59.31 -41.92 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 113.277 0.843 . . . . 0.56 113.277 -175.707 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' A' 2071 ' ' THR . 8.9 mt -79.28 -24.29 43.0 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.199 0.523 . . . . 0.74 110.285 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.71 51.22 2.0 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.93 112.67 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.2 p80 -142.91 -3.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.625 -0.43 . . . . 0.97 111.843 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.529 ' C ' ' HB1' ' A' 2072 ' ' ALA . 36.3 m-70 66.52 -43.71 0.42 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.156 1.539 . . . . 1.56 115.156 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.521 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.3 p -73.4 123.47 89.49 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 113.599 0.963 . . . . 1.82 113.599 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.6 Cg_exo -84.37 -13.68 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.961 3.107 . . . . 0.51 110.761 174.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' 2081 ' ' GLU . 7.3 pt-20 -81.93 -18.01 45.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.032 -0.986 . . . . 1.54 110.502 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.1 t -92.39 17.45 9.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.592 0.711 . . . . 0.63 110.067 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.553 HD12 HG23 ' A' 2071 ' ' THR . 12.3 mm -102.68 124.57 56.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.729 -0.669 . . . . 0.25 110.61 -177.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 14.6 m -90.59 109.24 32.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.28 110.329 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.91 -26.78 51.43 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 C-N-CA 122.698 2.265 . . . . 0.15 112.583 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.65 -30.59 46.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.536 -0.756 . . . . 0.14 111.346 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.1 m -75.12 146.91 40.98 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.45 0.643 . . . . 0.16 109.506 176.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.78 141.5 34.68 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.088 -0.96 . . . . 0.15 109.416 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.53 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.6 m-85 -46.35 -37.93 8.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.12 112.342 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.516 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.58 -64.73 0.72 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.263 0.554 . . . . 1.69 110.572 175.78 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.54 -30.87 65.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.843 -1.072 . . . . 2.27 111.274 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' 2089 ' ' PHE . 82.9 mt -71.06 -14.91 62.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.24 112.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.74 4.53 14.92 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.235 -0.983 . . . . 0.2 113.456 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2119 ' ' ILE . 6.1 mm -68.91 133.04 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.312 0.577 . . . . 0.32 112.485 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 30.7 t70 -110.42 167.98 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.159 -0.928 . . . . 1.86 108.794 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.2 m -52.45 -39.31 60.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.306 0.503 . . . . 1.32 111.926 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.3 tp -63.48 -55.35 24.81 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.132 0.573 . . . . 1.61 110.945 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.781 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.89 -25.96 63.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.878 0.696 . . . . 0.19 112.878 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.77 -24.64 64.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.871 0.843 . . . . 0.24 109.316 170.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -37.28 14.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.829 -1.078 . . . . 1.15 109.144 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' 2097 ' ' LEU . 27.8 mt-10 -65.54 -37.66 87.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.546 . . . . 0.46 110.882 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 2106 ' ' LEU . 11.0 mt -55.43 -58.71 6.62 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.313 0.577 . . . . 1.13 110.055 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.0 tmt_? -48.14 -43.71 31.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.191 -1.368 . . . . 2.11 110.882 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.87 -44.14 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 0.4 111.359 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 62.6 m -75.31 -40.86 58.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 0.33 111.202 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 2102 ' ' LEU . 84.0 mt -68.4 -47.8 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.47 111.427 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.7 t -65.54 -27.02 68.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.31 0.576 . . . . 0.67 109.818 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.71 -52.44 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 1.29 110.411 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -60.32 -43.79 96.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.279 -0.873 . . . . 0.4 112.195 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.504 HG21 HD12 ' A' 2132 ' ' LEU . 40.4 p -78.22 -28.01 47.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.457 0.646 . . . . 0.33 110.072 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.94 7.17 74.64 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.151 -0.932 . . . . 0.36 112.062 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.85 -158.94 0.7 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.295 0.569 . . . . 0.47 109.973 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -135.67 124.34 23.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.941 -1.027 . . . . 0.43 109.646 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.1 mt -133.6 155.13 80.84 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 115.172 -0.922 . . . . 1.25 111.47 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -81.09 154.03 19.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.309 2.673 . . . . 0.33 111.843 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.17 1.1 7.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.1 1.867 . . . . 0.46 111.551 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.6 p -96.14 -0.02 50.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.36 111.786 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 51.4 mt -38.15 -62.26 0.59 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.578 0.704 . . . . 0.79 112.065 173.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2094 ' ' ILE . 9.3 mm -57.03 -25.28 22.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 113.86 -1.518 . . . . 0.28 111.718 -175.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -90.41 -32.18 16.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.331 -0.395 . . . . 0.38 111.967 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.62 -33.21 21.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.297 0.57 . . . . 1.34 110.671 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -132.3 74.34 76.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.529 -0.915 . . . . 0.43 108.529 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' 2124 ' ' THR . 19.6 Cg_endo -91.61 102.94 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.771 0 C-N-CA 122.032 1.821 . . . . 0.25 112.625 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.732 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.56 156.31 0.13 Allowed Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 127.853 2.461 . . . . 0.13 105.206 160.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.1 Cg_exo -55.93 -37.44 95.99 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.356 1.52 . . . . 0.14 110.487 172.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 2130 ' ' GLN . 69.5 t60 -68.61 -43.16 76.99 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.42 111.618 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.45 75.52 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.959 0.409 . . . . 0.13 110.782 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.486 HD11 HD13 ' A' 2119 ' ' ILE . 50.4 mt -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.347 -0.388 . . . . 0.14 111.367 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 54.4 m -58.63 -31.96 68.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.095 -0.706 . . . . 0.24 109.095 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.2 mt-30 -80.35 -41.29 25.03 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.017 -0.992 . . . . 1.66 110.273 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.49 -53.89 36.03 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-N 116.413 -0.358 . . . . 0.35 111.404 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.504 HD12 HG21 ' A' 2110 ' ' THR . 2.1 mm? -61.55 -31.29 71.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.617 0.246 . . . . 1.13 111.167 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.58 -39.49 70.53 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.714 -0.476 . . . . 0.31 109.714 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 99.4 m -62.8 -51.12 68.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.36 110.257 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.0 mmm180 -46.95 -56.46 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.722 0.638 . . . . 1.64 112.722 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.691 HD23 HD21 ' A' 2112 ' ' LEU . 79.8 mt -63.48 -38.74 92.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.97 112.215 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 120.957 0.408 . . . . 0.68 111.349 -174.965 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' 2060 ' ' GLN . 12.6 Cg_exo . . . . . 0 CA--C 1.532 0.392 0 N-CA-C 114.712 1.005 . . . . 0.86 114.712 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -64.7 -42.82 95.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.613 0.188 . . . . 1.95 111.075 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -60.19 -40.53 90.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.369 0.604 . . . . 1.6 109.449 175.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.636 ' O ' ' HB ' ' A' 2062 ' ' THR . 97.9 mt-30 -59.64 -40.9 89.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.047 -0.978 . . . . 1.5 110.266 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' 2056 ' ' PRO . 71.6 mt-30 -62.21 -53.49 54.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.822 0.344 . . . . 0.95 110.45 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.703 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 49.2 mt-30 -52.5 -30.93 32.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.48 -0.782 . . . . 1.32 111.475 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.7 m -53.22 -57.28 11.03 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.378 -0.828 . . . . 0.77 111.722 174.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.605 HD22 ' H ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -72.28 -35.89 68.83 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 108.462 -0.94 . . . . 1.32 108.462 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -54.17 -42.14 69.29 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.643 -1.617 . . . . 0.51 109.706 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 33.1 m -78.41 -43.12 28.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.059 -1.428 . . . . 0.41 111.304 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.3 tp -57.13 -59.74 4.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.515 0.674 . . . . 1.35 110.975 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.456 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 53.3 t -52.98 -42.14 43.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.397 -1.274 . . . . 0.22 111.169 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -67.89 -46.88 70.4 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.426 -0.806 . . . . 0.17 111.051 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.506 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.46 -32.03 72.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.2 0.524 . . . . 0.23 110.626 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.72 86.97 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.49 -0.777 . . . . 0.24 110.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.0 t -86.79 -25.01 24.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.853 -0.739 . . . . 0.28 110.439 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.595 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -51.79 -44.28 63.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.221 -0.659 . . . . 0.31 109.221 166.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.3 m -69.82 -49.84 48.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.267 -0.879 . . . . 0.46 110.792 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.824 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -60.95 -40.13 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 113.421 0.897 . . . . 0.56 113.421 -174.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -81.2 -22.05 39.15 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.253 0.549 . . . . 0.74 110.16 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 91.44 54.11 2.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.582 -0.736 . . . . 0.93 112.607 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.6 p80 -145.66 -6.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.621 -0.432 . . . . 0.97 111.944 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.546 ' C ' ' HB1' ' A' 2072 ' ' ALA . 29.1 m-70 67.18 -34.29 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.286 1.587 . . . . 1.56 115.286 171.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 13.6 p -79.05 122.36 84.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 113.582 0.956 . . . . 1.82 113.582 -175.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.506 ' HB3' ' N ' ' A' 2069 ' ' ALA . 3.6 Cg_exo -85.15 -17.97 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.925 3.083 . . . . 0.51 111.086 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.68 -18.9 56.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.448 -0.796 . . . . 1.54 110.342 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -94.61 21.01 7.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.366 0.603 . . . . 0.63 110.219 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.598 HD12 HG23 ' A' 2071 ' ' THR . 12.8 mm -104.63 111.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.522 -0.763 . . . . 0.25 110.352 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.0 m -79.96 113.16 35.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.624 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 27.5 Cg_endo -66.78 -27.39 44.37 Favored 'Trans proline' 0 CA--C 1.513 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.15 112.995 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.01 53.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.939 -0.573 . . . . 0.14 111.441 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 29.4 m -74.63 146.89 42.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.45 0.643 . . . . 0.16 109.394 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.557 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.42 143.56 30.2 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.001 -0.999 . . . . 0.15 109.612 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.5 ' HB3' HG13 ' A' 2094 ' ' ILE . 33.5 m-85 -49.37 -38.94 30.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.655 -0.702 . . . . 0.12 112.056 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.62 -63.24 1.14 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.219 0.533 . . . . 1.69 110.628 174.354 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.437 ' HB3' ' CG2' ' A' 2087 ' ' THR . 15.0 t70 -57.53 -30.79 65.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.038 -0.983 . . . . 2.27 111.048 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' 2089 ' ' PHE . 88.7 mt -73.27 -17.96 61.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.734 -0.666 . . . . 0.24 112.33 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.77 4.24 9.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.079 -1.058 . . . . 0.2 113.458 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2119 ' ' ILE . 5.5 mm -69.54 129.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.111 0.782 . . . . 0.32 113.111 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -105.48 178.02 4.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.343 -0.844 . . . . 1.86 108.854 172.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 12.4 p -60.64 -42.95 97.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.085 0.469 . . . . 1.32 111.372 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' 2101 ' ' GLU . 11.4 tp -60.54 -54.1 49.48 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.57 -0.741 . . . . 1.61 110.893 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.824 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.31 -26.54 63.83 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.039 0.755 . . . . 0.19 113.039 -179.012 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.486 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.13 -23.52 63.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.905 0.86 . . . . 0.24 109.521 170.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.82 -37.43 14.48 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.83 -1.077 . . . . 1.15 109.058 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.47 ' HG3' ' HA ' ' A' 2098 ' ' THR . 32.7 mt-10 -65.11 -36.87 85.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.072 -0.513 . . . . 0.46 111.37 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 2071 ' ' THR . 12.8 mt -55.38 -61.44 2.33 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.285 0.564 . . . . 1.13 110.011 171.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.3 tmt_? -49.17 -40.1 31.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.413 -1.267 . . . . 2.11 111.248 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.7 m-20 -55.01 -51.94 64.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.4 110.827 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 8.4 m -67.83 -41.19 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.64 . . . . 0.33 110.498 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2102 ' ' LEU . 5.8 mp -60.52 -59.9 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 1.47 112.0 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.7 t -65.37 -27.92 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.998 0.427 . . . . 0.67 110.635 -174.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.7 -53.26 35.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.408 0.623 . . . . 1.29 110.136 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.93 -34.83 79.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.864 -1.062 . . . . 0.4 112.688 -176.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 32.9 p -83.78 -27.03 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.115 0.483 . . . . 0.33 111.01 -173.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.54 12.27 75.75 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.423 -0.808 . . . . 0.36 112.031 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -108.31 -160.08 0.71 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.316 0.579 . . . . 0.47 110.024 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -134.35 125.45 27.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.845 -1.07 . . . . 0.43 109.379 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 83.3 mt -133.56 152.66 79.47 Favored Pre-proline 0 C--N 1.309 -1.155 0 CA-C-N 115.148 -0.933 . . . . 1.25 110.879 -172.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' 2118 ' ' LEU . 68.8 Cg_endo -79.75 150.72 21.5 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 123.135 2.556 . . . . 0.33 112.092 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.07 -0.32 8.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.277 1.985 . . . . 0.46 111.548 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 8.5 p -98.77 4.18 47.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.775 -0.648 . . . . 0.36 112.131 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' 2115 ' ' PRO . 49.9 mt -38.94 -63.02 0.56 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.522 0.677 . . . . 0.79 112.219 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2094 ' ' ILE . 6.9 mm -57.22 -23.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 113.978 -1.465 . . . . 0.28 111.784 -175.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -86.91 -31.12 20.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.258 -0.428 . . . . 0.38 111.706 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.23 -36.37 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.287 0.565 . . . . 1.34 111.014 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -126.06 72.16 70.18 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.659 -0.867 . . . . 0.43 108.659 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.779 ' O ' HG23 ' A' 2124 ' ' THR . 14.4 Cg_endo -91.79 103.23 0.22 Allowed 'Trans proline' 0 N--CA 1.437 -1.824 0 C-N-CA 121.82 1.68 . . . . 0.25 112.838 -171.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.779 HG23 ' O ' ' A' 2123 ' ' PRO . 6.9 p 168.32 159.15 0.16 Allowed Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 128.031 2.532 . . . . 0.13 104.959 159.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -57.23 -37.11 98.82 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 CA-C-N 121.192 1.462 . . . . 0.14 110.21 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.636 ' O ' ' HG3' ' A' 2130 ' ' GLN . 70.2 t60 -67.27 -47.79 69.66 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.42 111.592 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.26 67.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.127 0.421 . . . . 0.13 110.801 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.428 HD11 HD13 ' A' 2119 ' ' ILE . 37.6 mt -76.32 -33.76 59.02 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.184 -0.462 . . . . 0.14 111.398 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 42.8 m -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.984 -0.747 . . . . 0.24 108.984 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -74.61 -47.24 33.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.109 -0.95 . . . . 1.66 110.097 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.09 -51.71 65.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.047 -0.524 . . . . 0.35 111.297 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' 2136 ' ' LEU . 2.2 mm? -63.28 -37.21 86.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 121.078 -0.249 . . . . 1.13 111.31 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.85 -32.66 73.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.124 -0.695 . . . . 0.31 109.124 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.7 m -69.94 -46.42 65.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.36 110.589 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.793 ' HB3' HD13 ' A' 2112 ' ' LEU . 7.8 mmm180 -62.87 -51.01 68.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.736 0.643 . . . . 1.64 112.736 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' 2132 ' ' LEU . 4.2 mm? -63.62 -17.89 63.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.057 0.762 . . . . 0.97 113.057 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.683 0.754 . . . . 0.68 111.298 -177.296 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.536 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.2 Cg_exo . . . . . 0 CA--C 1.531 0.341 0 N-CA-C 115.529 1.319 . . . . 0.86 115.529 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.49 -36.63 81.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 1.95 110.692 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2058 ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' 2058 ' ' GLN . 12.9 mm-40 -64.96 -40.27 94.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.575 -0.528 . . . . 1.6 109.575 174.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.577 ' O ' ' HB ' ' A' 2062 ' ' THR . 78.2 mt-30 -57.87 -40.78 81.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.302 -0.863 . . . . 1.5 110.259 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 2063 ' ' LEU . 63.7 mt-30 -60.16 -58.8 6.98 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.123 -0.49 . . . . 0.95 110.201 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.7 mt-30 -53.28 -35.85 60.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.029 0.443 . . . . 1.32 111.3 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.1 m -53.47 -55.31 26.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.77 111.339 172.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.36 -21.62 45.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.862 0.839 . . . . 1.32 109.465 -175.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.7 -43.71 92.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.995 -1.457 . . . . 0.51 108.553 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.6 m -70.28 -34.85 73.27 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 113.522 -1.672 . . . . 0.41 110.607 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -52.72 64.36 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.312 -0.625 . . . . 1.35 109.312 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' 2063 ' ' LEU . 58.2 t -56.75 -46.38 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.22 111.088 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.67 83.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.573 -0.74 . . . . 0.17 111.246 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.531 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.23 110.491 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.75 84.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.487 -0.779 . . . . 0.24 110.396 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.737 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -87.67 -20.48 26.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 119.908 -0.717 . . . . 0.28 110.524 -176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.34 52.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.876 -0.602 . . . . 0.31 109.764 169.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.7 m -65.89 -49.04 69.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.055 -0.975 . . . . 0.46 110.877 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.793 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -59.89 -45.73 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.56 112.963 -176.367 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.5 mt -76.47 -31.11 57.6 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.9 0.381 . . . . 0.74 111.012 -176.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 114.76 47.66 0.56 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.381 -0.914 . . . . 0.93 113.923 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 2078 ' ' HIS . 0.2 OUTLIER -139.62 -17.14 1.0 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 117.416 0.608 . . . . 0.97 112.503 174.088 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' 2077 ' ' HIS . 31.1 m-70 70.55 -38.86 0.43 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.455 HG23 ' OE1' ' A' 2081 ' ' GLU . 1.3 t -90.82 142.01 27.29 Favored Pre-proline 0 C--O 1.238 0.477 0 CA-C-O 121.713 0.768 . . . . 1.82 111.93 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.531 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.0 Cg_endo -89.43 -0.17 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.341 1 C-N-CA 125.44 4.093 . . . . 0.51 112.601 -178.205 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.455 ' OE1' HG23 ' A' 2079 ' ' THR . 1.3 pm0 -67.77 -10.55 53.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.664 -0.698 . . . . 1.54 110.771 -175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 42.2 t -116.68 18.98 14.77 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.14 -0.936 . . . . 0.63 110.552 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.698 HD12 HG23 ' A' 2071 ' ' THR . 15.0 mm -100.29 111.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.659 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.2 m -87.32 113.65 54.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.28 110.4 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.47 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.7 Cg_endo -65.54 -29.45 52.75 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.747 2.298 . . . . 0.15 112.811 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.903 -0.589 . . . . 0.14 111.185 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.451 ' O ' HG22 ' A' 2124 ' ' THR . 35.3 m -76.38 148.42 37.38 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.336 -0.616 . . . . 0.16 109.336 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.579 ' HA ' HG22 ' A' 2124 ' ' THR . . . -84.01 143.31 29.86 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.341 -0.845 . . . . 0.15 109.662 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.526 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.6 m-85 -47.95 -39.47 19.39 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.745 0.653 . . . . 0.12 111.784 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.59 -63.2 1.07 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.689 -0.687 . . . . 1.69 111.375 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.448 ' HB3' ' CG2' ' A' 2087 ' ' THR . 13.8 t70 -57.81 -31.93 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 2.27 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' 2089 ' ' PHE . 83.9 mt -73.54 -15.02 61.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.57 -0.741 . . . . 0.24 112.303 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.12 0.99 11.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.126 -1.035 . . . . 0.2 113.618 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2119 ' ' ILE . 3.2 mm -67.69 129.94 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.492 0.663 . . . . 0.32 112.495 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -103.88 168.89 8.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.983 -1.117 . . . . 1.86 107.983 172.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 11.5 t -58.73 -31.89 68.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.619 0.645 . . . . 1.32 110.848 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.607 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.5 mt -68.39 -53.64 22.51 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.168 0.509 . . . . 1.61 109.771 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.793 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.16 -26.24 64.76 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.819 -0.628 . . . . 0.19 112.547 179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.547 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.76 -23.89 65.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.998 0.904 . . . . 0.24 109.527 170.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.16 -37.06 14.44 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.627 -1.17 . . . . 1.15 108.884 178.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.5 mt-10 -67.49 -35.91 80.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 0.46 111.5 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' 2071 ' ' THR . 9.5 mt -55.65 -63.77 1.06 Allowed 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.116 0.484 . . . . 1.13 111.012 174.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' 2100 ' ' LEU . 2.3 ppt_? -54.95 -30.13 58.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.926 -1.034 . . . . 2.11 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 69.3 m-20 -58.73 -48.36 81.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 0.4 110.617 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 28.0 m -70.52 -41.45 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.33 110.637 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.9 mp -61.12 -57.78 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.47 111.683 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 6.0 t -60.59 -28.06 68.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.256 0.551 . . . . 0.67 110.495 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.1 t60 -73.7 -48.79 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.29 110.623 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -66.54 -40.92 89.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.297 -0.865 . . . . 0.4 112.181 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.647 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.0 p -80.32 -24.53 39.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.979 -0.555 . . . . 0.33 110.364 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.13 9.55 82.05 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.36 112.121 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.78 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -103.08 -159.3 0.72 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.116 0.484 . . . . 0.47 109.776 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2113 ' ' ASP . . . . . 0.483 ' HA ' ' OG1' ' A' 2107 ' ' THR . 23.5 t70 -134.91 125.73 27.28 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.976 -1.011 . . . . 0.43 109.415 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.514 HD13 HD11 ' A' 2118 ' ' LEU . 72.2 mt -131.28 149.6 74.1 Favored Pre-proline 0 C--N 1.307 -1.28 0 CA-C-N 115.233 -0.894 . . . . 1.25 110.696 -172.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.44 157.0 25.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.251 2.634 . . . . 0.33 112.134 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -75.53 2.88 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.318 2.012 . . . . 0.46 111.158 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 19.4 p -106.57 5.96 29.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.471 -0.786 . . . . 0.36 112.081 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.514 HD11 HD13 ' A' 2114 ' ' LEU . 17.7 mt -42.42 -63.53 0.75 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.446 0.641 . . . . 0.79 112.088 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2094 ' ' ILE . 8.2 mm -56.58 -24.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.786 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -88.62 -32.26 18.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.38 111.697 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.46 -34.75 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.266 0.555 . . . . 1.34 110.603 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -131.77 77.08 73.23 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.373 -0.973 . . . . 0.43 108.373 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.686 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.07 102.95 0.26 Allowed 'Trans proline' 0 N--CA 1.44 -1.634 0 C-N-CA 121.443 1.429 . . . . 0.25 112.623 -172.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.686 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 158.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 127.757 2.423 . . . . 0.13 105.294 160.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.5 Cg_exo -57.08 -36.87 99.37 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 121.2 1.464 . . . . 0.14 110.074 170.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 71.3 t60 -69.29 -43.07 74.59 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.874 -0.603 . . . . 0.42 112.039 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.6 76.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.161 0.505 . . . . 0.13 110.424 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.454 HD11 HD13 ' A' 2119 ' ' ILE . 28.0 mt -71.98 -28.76 63.63 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.005 -0.543 . . . . 0.14 111.4 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.3 m -61.43 -29.22 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.24 109.277 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.17 -44.81 19.19 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.283 -0.872 . . . . 1.66 110.171 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' 2135 ' ' ARG . 78.7 t60 -69.24 -52.02 31.82 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.495 -0.321 . . . . 0.35 111.613 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.7 mm? -61.86 -28.78 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -68.46 -39.73 81.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.278 -0.638 . . . . 0.31 109.278 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.0 m -64.23 -46.55 83.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.36 110.392 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.693 ' HB3' HD13 ' A' 2112 ' ' LEU . 11.0 mmm180 -62.12 -46.24 89.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.158 -0.473 . . . . 1.64 111.986 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.78 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -74.07 -5.13 39.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.842 0.682 . . . . 0.97 112.842 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.203 0.525 . . . . 0.68 111.116 179.199 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.599 ' O ' ' HB2' ' A' 2059 ' ' GLN . 5.2 Cg_exo . . . . . 0 CA--C 1.53 0.324 0 N-CA-C 115.549 1.327 . . . . 0.86 115.549 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -71.37 -35.42 71.09 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.139 -0.624 . . . . 1.95 110.845 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.88 -42.27 97.61 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.039 -0.726 . . . . 1.6 109.039 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.599 ' HB2' ' O ' ' A' 2056 ' ' PRO . 93.4 mt-30 -53.55 -48.42 69.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.535 -1.212 . . . . 1.5 110.291 174.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' 2056 ' ' PRO . 42.5 mt-30 -59.29 -54.28 48.58 Favored 'General case' 0 C--O 1.203 -1.362 0 CA-C-N 115.498 -0.774 . . . . 0.95 110.134 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 70.7 mt-30 -52.54 -38.69 60.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.913 0.387 . . . . 1.32 111.511 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.2 m -54.24 -55.45 27.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.645 . . . . 0.77 111.428 173.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.8 pp -80.49 -18.67 47.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.928 0.871 . . . . 1.32 109.63 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.01 -46.97 76.02 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.973 -1.467 . . . . 0.51 108.089 174.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 91.0 m -63.25 -38.79 92.54 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.595 -1.639 . . . . 0.41 110.306 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -54.91 41.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 1.35 109.254 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.461 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -57.3 -46.27 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.247 -0.888 . . . . 0.22 111.021 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.474 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.0 -48.02 82.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.265 -0.88 . . . . 0.17 111.35 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -32.65 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.23 110.748 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.64 92.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.62 -0.718 . . . . 0.24 110.501 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.4 -26.97 23.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 120.002 -0.679 . . . . 0.28 110.389 -176.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -44.33 59.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.977 -0.749 . . . . 0.31 108.977 166.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.9 m -70.39 -50.07 42.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.231 -0.895 . . . . 0.46 111.03 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.79 HG22 HG22 ' A' 2098 ' ' THR . 0.6 OUTLIER -59.43 -43.41 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.146 0.795 . . . . 0.56 113.146 -175.478 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.7 mt -78.47 -26.64 46.14 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.218 0.532 . . . . 0.74 110.139 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 95.2 47.34 2.63 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.381 -0.827 . . . . 0.93 112.76 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.0 p80 -137.31 -8.61 1.73 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 120.427 -0.509 . . . . 0.97 111.722 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.5 m-70 72.37 -30.59 0.21 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.269 1.581 . . . . 1.56 115.269 166.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.3 p -84.4 125.01 72.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 119.36 0.982 . . . . 1.82 113.393 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.1 Cg_exo -85.63 -13.05 6.12 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.919 3.079 . . . . 0.51 110.862 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.82 -13.22 51.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 1.54 110.379 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.1 t -100.83 19.33 17.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.45 0.643 . . . . 0.63 109.891 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.556 HD12 HG23 ' A' 2071 ' ' THR . 14.2 mm -100.53 115.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.505 -0.77 . . . . 0.25 109.913 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 13.9 m -84.65 110.47 27.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 0.28 110.331 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 25.7 Cg_endo -66.46 -27.67 46.61 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 C-N-CA 122.48 2.12 . . . . 0.15 112.585 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.68 -30.65 52.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.14 110.96 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.438 ' O ' HG22 ' A' 2124 ' ' THR . 63.0 m -74.98 148.53 39.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.188 -0.671 . . . . 0.16 109.188 175.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.555 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.86 144.29 30.19 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.974 -1.012 . . . . 0.15 109.654 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 31.8 m-85 -49.14 -37.22 21.38 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.727 0.642 . . . . 0.12 111.873 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.08 -65.38 0.58 Allowed 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.917 -0.583 . . . . 1.69 110.865 174.596 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.419 ' HB3' ' CG2' ' A' 2087 ' ' THR . 23.5 t70 -57.77 -27.34 62.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.468 -0.787 . . . . 2.27 111.335 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.9 mt -74.57 -14.5 60.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.854 -0.612 . . . . 0.24 112.018 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.39 0.79 14.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.322 -0.942 . . . . 0.2 113.583 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.524 HG21 HG21 ' A' 2119 ' ' ILE . 6.3 mm -66.62 132.19 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.883 0.697 . . . . 0.32 112.883 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -107.39 178.09 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.114 -0.948 . . . . 1.86 108.924 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.6 p -57.75 -39.66 77.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.176 0.512 . . . . 1.32 111.261 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' 2101 ' ' GLU . 51.9 mt -65.21 -53.94 37.06 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.395 -0.82 . . . . 1.61 110.24 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.79 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -71.06 -26.35 63.03 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.587 -0.733 . . . . 0.19 112.736 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.69 -24.32 65.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.012 0.91 . . . . 0.24 109.23 170.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -39.87 12.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.438 -1.256 . . . . 1.15 109.391 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.6 mt-10 -63.69 -36.39 83.7 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.826 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' 2071 ' ' THR . 9.1 mt -57.08 -59.32 5.25 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 121.251 0.548 . . . . 1.13 110.337 172.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.86 -44.04 28.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.439 -1.255 . . . . 2.11 110.692 176.135 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -57.14 -53.38 58.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.909 -0.587 . . . . 0.4 111.493 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 95.1 m -66.88 -43.43 83.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.474 -0.33 . . . . 0.33 111.445 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 2102 ' ' LEU . 94.3 mt -64.81 -51.21 63.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.341 -0.39 . . . . 1.47 111.471 -177.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.65 -28.1 68.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.164 0.506 . . . . 0.67 110.183 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.87 -53.08 35.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.201 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -60.72 -49.5 77.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.4 112.006 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.597 ' HB ' HD21 ' A' 2136 ' ' LEU . 36.2 p -74.22 -21.72 59.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.37 0.605 . . . . 0.33 110.221 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.14 10.8 85.1 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.025 -0.989 . . . . 0.36 112.084 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.721 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -101.91 -160.17 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.362 0.601 . . . . 0.47 109.495 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.25 123.78 22.2 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.917 -1.038 . . . . 0.43 109.052 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 69.5 mt -129.95 154.98 81.27 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 114.825 -1.08 . . . . 1.25 111.007 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -80.76 148.46 17.72 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.151 2.567 . . . . 0.33 111.806 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.75 -2.47 11.47 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.03 1.82 . . . . 0.46 111.162 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.0 p -94.38 2.06 55.81 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.731 -0.668 . . . . 0.36 111.493 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2115 ' ' PRO . 16.9 mt -36.95 -67.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.812 0.671 . . . . 0.79 112.812 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.4 mm -56.7 -25.87 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 114.335 -1.302 . . . . 0.28 111.584 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -88.84 -32.64 17.7 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.241 -0.436 . . . . 0.38 111.751 -177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.64 -33.05 23.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.386 0.612 . . . . 1.34 110.631 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -133.87 78.23 60.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.55 -0.907 . . . . 0.43 108.55 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.716 ' O ' HG23 ' A' 2124 ' ' THR . 27.8 Cg_endo -91.56 102.68 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.826 0 C-N-CA 121.507 1.471 . . . . 0.25 112.56 -172.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.716 HG23 ' O ' ' A' 2123 ' ' PRO . 3.2 p 166.77 157.24 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 127.939 2.496 . . . . 0.13 105.055 160.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.8 Cg_exo -55.67 -39.34 91.64 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 CA-C-N 121.441 1.55 . . . . 0.14 109.986 171.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.529 ' O ' ' HG3' ' A' 2130 ' ' GLN . 50.6 t60 -63.34 -46.88 84.55 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.628 -0.714 . . . . 0.42 111.65 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.61 77.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.998 0.428 . . . . 0.13 111.038 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.573 HD11 HD13 ' A' 2119 ' ' ILE . 44.4 mt -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.14 111.294 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.493 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 88.7 m -63.09 -25.03 68.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.615 0.721 . . . . 0.24 109.377 176.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.5 mt-30 -80.72 -47.44 13.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 1.66 109.75 176.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.577 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.2 t60 -65.47 -54.14 32.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.35 111.585 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.8 mm? -60.52 -27.69 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.6 0.222 . . . . 1.13 111.6 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2133 ' ' HIS . . . . . 0.428 ' CG ' ' HG2' ' A' 2060 ' ' GLN . 17.4 t-80 -69.57 -42.03 75.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.196 -0.668 . . . . 0.31 109.196 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.6 m -64.76 -30.89 71.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.36 111.339 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.721 ' HB3' HD13 ' A' 2112 ' ' LEU . 26.2 mmm180 -74.69 -48.58 25.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.173 0.511 . . . . 1.64 110.975 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 2112 ' ' LEU . 96.9 mt -75.93 -10.77 59.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 113.562 0.949 . . . . 0.97 113.562 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.585 0.707 . . . . 0.68 111.073 178.383 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' 2060 ' ' GLN . 20.6 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 114.779 1.03 . . . . 0.86 114.779 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.48 -44.89 89.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.664 0.268 . . . . 1.95 110.98 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -57.55 -42.34 82.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.464 . . . . 1.6 109.853 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.7 mt-30 -56.64 -41.5 77.26 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.32 -0.854 . . . . 1.5 110.738 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.0 mt-30 -57.38 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.691 -0.686 . . . . 0.95 110.69 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 51.0 mt-30 -53.72 -34.04 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.007 -0.542 . . . . 1.32 111.588 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' 2059 ' ' GLN . 54.3 m -49.53 -53.96 20.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.466 -0.788 . . . . 0.77 111.229 171.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' 2136 ' ' LEU . 14.6 mt -82.29 -23.29 35.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.441 0.639 . . . . 1.32 109.873 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.43 -30.36 71.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.6 -1.182 . . . . 0.51 108.55 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 94.0 m -87.04 -39.09 15.95 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 113.541 -1.663 . . . . 0.41 110.619 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' 2106 ' ' LEU . 0.0 OUTLIER -60.64 -56.04 26.06 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.488 0.661 . . . . 1.35 109.644 -179.234 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.412 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.9 t -57.27 -40.47 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 114.762 -1.108 . . . . 0.22 110.791 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.84 -48.82 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.92 -1.036 . . . . 0.17 111.108 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.484 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.27 -29.6 69.95 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.142 0.496 . . . . 0.23 110.913 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.68 79.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.517 -0.765 . . . . 0.24 110.314 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.815 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.3 t -87.4 -26.1 23.47 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.072 -0.651 . . . . 0.28 110.079 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -49.57 -45.5 47.79 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.91 -0.774 . . . . 0.31 108.91 166.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 56.3 m -70.62 -50.14 40.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.46 110.892 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.1 -37.25 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 113.554 0.946 . . . . 0.56 113.554 -175.345 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.815 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.1 mt -86.07 -9.22 57.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.191 0.52 . . . . 0.74 110.544 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 80.65 47.19 6.88 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.662 -0.699 . . . . 0.93 113.158 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.4 p80 -138.44 -4.75 1.63 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.306 0.553 . . . . 0.97 112.025 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.504 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.2 m-70 68.82 -42.29 0.48 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.256 1.576 . . . . 1.56 115.256 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.509 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 8.5 p -76.05 123.9 88.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 113.68 0.992 . . . . 1.82 113.68 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.7 Cg_exo -84.73 -16.98 5.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 124.042 3.161 . . . . 0.51 111.247 174.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.93 -18.16 54.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.763 . . . . 1.54 109.981 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.7 t -93.08 21.59 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.012 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.535 HD12 HG23 ' A' 2071 ' ' THR . 12.1 mm -106.8 122.51 60.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.659 -0.701 . . . . 0.25 110.481 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.2 m -92.48 110.41 44.76 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.225 -0.443 . . . . 0.28 110.076 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.514 ' O ' ' HB ' ' A' 2124 ' ' THR . 21.9 Cg_endo -65.75 -27.35 52.23 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 122.536 2.158 . . . . 0.15 112.605 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.79 -30.04 58.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.722 -0.672 . . . . 0.14 111.499 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 30.6 m -74.65 147.07 41.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.17 -0.678 . . . . 0.16 109.17 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.545 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.85 143.76 31.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.169 -0.923 . . . . 0.15 109.534 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.544 ' HB3' HG13 ' A' 2094 ' ' ILE . 29.4 m-85 -48.09 -39.77 21.29 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 123.748 0.655 . . . . 0.12 111.927 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.3 -65.65 0.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.278 0.561 . . . . 1.69 111.067 173.775 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -64.57 -12.41 44.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 2.27 111.945 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.434 HD21 ' HB ' ' A' 2087 ' ' THR . 97.4 mt -87.15 -13.97 42.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.24 111.792 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.8 1.45 11.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.276 -0.964 . . . . 0.2 113.365 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2119 ' ' ILE . 5.9 mm -68.85 128.88 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.309 0.576 . . . . 0.32 112.435 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.11 179.58 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.566 -0.902 . . . . 1.86 108.566 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.3 m -62.96 -34.11 76.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.259 0.552 . . . . 1.32 110.408 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' 2100 ' ' LEU . 11.7 tp -62.99 -55.25 27.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.574 -0.739 . . . . 1.61 111.115 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.529 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -72.76 -24.92 61.01 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 112.784 0.661 . . . . 0.19 112.784 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.96 -20.29 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.958 0.885 . . . . 0.24 109.603 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.729 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -86.66 -52.0 5.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.333 -1.303 . . . . 1.15 108.188 176.368 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.515 ' N ' HD13 ' A' 2100 ' ' LEU . 24.2 mt-10 -58.86 -40.19 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.791 -1.095 . . . . 0.46 112.408 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.7 tp -65.03 -54.26 33.11 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-O 120.885 0.374 . . . . 1.13 110.246 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.88 -44.42 29.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.214 -0.903 . . . . 2.11 110.226 172.262 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -59.13 -48.21 82.46 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.504 -0.771 . . . . 0.4 110.913 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.8 m -63.29 -45.94 89.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.639 -0.255 . . . . 0.33 111.298 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.406 ' CD1' HD13 ' A' 2066 ' ' LEU . 2.4 mm? -59.0 -43.49 91.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.467 0.175 . . . . 1.47 110.827 176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 79.3 m -63.52 -37.48 87.45 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 121.202 0.525 . . . . 0.67 111.097 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -70.5 -27.53 64.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.418 0.628 . . . . 1.29 111.116 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -86.27 -50.58 6.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.292 -0.867 . . . . 0.4 111.831 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.411 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 40.3 p -77.19 -30.73 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 0.33 110.381 -172.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.72 7.84 83.65 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.258 -0.883 . . . . 0.36 111.801 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.748 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -93.13 -159.6 0.69 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.244 0.545 . . . . 0.47 109.738 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.41 117.51 13.44 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.134 -0.939 . . . . 0.43 109.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.79 158.38 62.75 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.28 -1.327 . . . . 1.25 110.702 -173.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2103 ' ' ARG . 83.6 Cg_endo -79.92 148.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.992 2.461 . . . . 0.33 111.97 174.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.12 -5.29 13.3 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.382 2.055 . . . . 0.46 111.622 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.2 p -93.07 1.45 57.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.956 -0.565 . . . . 0.36 111.667 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 2115 ' ' PRO . 15.0 mt -38.93 -65.1 0.39 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.725 0.774 . . . . 0.79 112.214 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -61.12 -18.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.893 -1.503 . . . . 0.28 111.819 -173.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -90.41 -34.96 15.44 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.381 -0.372 . . . . 0.38 111.463 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.45 -37.15 20.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.324 0.583 . . . . 1.34 110.927 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -128.0 71.35 78.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.69 -0.856 . . . . 0.43 108.69 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.776 ' O ' HG23 ' A' 2124 ' ' THR . 9.9 Cg_endo -91.74 102.27 0.22 Allowed 'Trans proline' 0 N--CA 1.436 -1.876 0 C-N-CA 122.057 1.838 . . . . 0.25 111.985 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.776 HG23 ' O ' ' A' 2123 ' ' PRO . 6.7 p 169.63 151.51 0.14 Allowed Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 128.187 2.595 . . . . 0.13 104.38 163.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.439 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 47.0 Cg_exo -55.19 -35.98 92.2 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 CA-C-N 121.425 1.545 . . . . 0.14 110.548 173.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' A' 2130 ' ' GLN . 68.1 t60 -66.32 -45.65 79.59 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.641 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.26 73.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.031 0.443 . . . . 0.13 111.096 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' 2119 ' ' ILE . 44.5 mt -75.22 -30.68 60.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.224 -0.444 . . . . 0.14 111.29 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.9 m -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.066 -0.716 . . . . 0.24 109.066 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.2 mt-30 -80.21 -52.94 7.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.312 -0.858 . . . . 1.66 110.172 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.548 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.7 t60 -64.21 -53.27 51.89 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.264 -0.426 . . . . 0.35 112.112 -174.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.0 mm? -61.9 -26.14 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.144 -0.222 . . . . 1.13 111.295 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.79 -42.45 73.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.203 -0.666 . . . . 0.31 109.203 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 44.7 m -62.14 -39.48 92.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.36 110.773 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.57 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -65.85 -46.32 78.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.467 -0.333 . . . . 1.64 111.408 -176.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.748 HD23 HD21 ' A' 2112 ' ' LEU . 91.7 mt -74.22 -5.2 40.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.486 0.55 . . . . 0.97 112.486 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.322 -0.612 0 CA-C-O 121.034 0.445 . . . . 0.68 111.169 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.696 ' O ' ' HG3' ' A' 2060 ' ' GLN . 42.7 Cg_exo . . . . . 0 N--CA 1.464 -0.239 0 N-CA-C 113.582 0.57 . . . . 0.86 113.582 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2057 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 35.5 tt0 -62.11 -37.9 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.561 0.219 . . . . 1.95 111.26 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2058 ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 12.8 mm-40 -61.98 -45.91 91.57 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.383 0.611 . . . . 1.6 109.473 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' 2062 ' ' THR . 93.2 mt-30 -60.29 -37.97 82.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.864 -1.062 . . . . 1.5 110.786 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.1 mt-30 -63.21 -57.96 8.77 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.421 -0.354 . . . . 0.95 110.216 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 45.8 mt-30 -53.92 -36.97 63.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 1.32 111.375 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' 2059 ' ' GLN . 98.3 m -49.54 -52.32 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.77 110.908 172.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 11.6 mt -79.91 -24.69 40.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.481 -0.782 . . . . 1.32 109.576 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.92 -41.83 82.02 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.466 -1.243 . . . . 0.51 109.387 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 53.7 m -79.04 -35.12 43.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.507 -1.224 . . . . 0.41 110.688 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.635 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 16.5 tp -58.78 -62.13 2.1 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.4 0.619 . . . . 1.35 110.808 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.482 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 51.9 t -51.6 -43.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.393 -1.276 . . . . 0.22 110.993 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.57 71.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.126 -0.943 . . . . 0.17 111.396 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.427 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.4 -32.7 71.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.094 0.473 . . . . 0.23 110.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.1 88.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.24 110.452 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.761 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.4 t -87.52 -20.42 26.53 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.135 -0.626 . . . . 0.28 110.194 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.503 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -55.05 -43.26 73.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.371 -0.603 . . . . 0.31 109.371 169.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.4 m -71.33 -49.26 44.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.09 -0.959 . . . . 0.46 110.425 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.801 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.0 -37.79 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.56 113.195 -174.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.0 mt -84.42 -41.6 16.5 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.808 -0.557 . . . . 0.74 111.127 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 122.13 61.14 0.21 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.357 -0.925 . . . . 0.93 113.428 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.513 ' NE2' ' HB2' ' A' 2075 ' ' LEU . 0.2 OUTLIER -152.75 -26.5 0.16 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.808 0.304 . . . . 0.97 111.79 175.613 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.406 ' C ' ' HB1' ' A' 2072 ' ' ALA . 48.1 m-70 68.89 -6.48 0.87 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.831 0.678 . . . . 1.56 112.831 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.508 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.3 p -91.8 120.81 67.87 Favored Pre-proline 0 N--CA 1.452 -0.37 0 N-CA-C 112.834 0.679 . . . . 1.82 112.834 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.2 Cg_exo -84.83 -16.59 5.3 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 124.338 3.359 . . . . 0.51 110.887 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.54 -17.94 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.54 110.248 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 13.0 t -98.1 22.13 9.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.63 110.458 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.519 HD12 HG23 ' A' 2071 ' ' THR . 13.1 mm -107.22 115.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.501 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.6 m -84.85 110.81 30.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.485 -0.325 . . . . 0.28 110.402 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 24.8 Cg_endo -66.26 -27.08 48.54 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.704 2.269 . . . . 0.15 112.825 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.44 59.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.72 -0.673 . . . . 0.14 111.742 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.592 ' HB ' HD21 ' A' 2092 ' ' LEU . 36.0 m -78.65 148.08 33.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.378 -0.601 . . . . 0.16 109.378 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.524 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.01 141.08 36.26 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.144 -0.935 . . . . 0.15 109.603 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.552 ' HB3' HG13 ' A' 2094 ' ' ILE . 36.4 m-85 -45.53 -39.36 7.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.909 -1.041 . . . . 0.12 112.544 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.14 -64.79 0.7 Allowed 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.558 0.536 . . . . 1.69 110.603 175.276 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.6 -7.19 18.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.988 -1.006 . . . . 2.27 111.897 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.592 HD21 ' HB ' ' A' 2087 ' ' THR . 96.0 mt -89.86 -15.39 32.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.24 111.431 175.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.66 0.61 11.01 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.297 -0.954 . . . . 0.2 113.426 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -67.54 130.7 33.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.545 0.572 . . . . 0.32 112.545 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -103.52 178.65 4.5 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.706 -0.85 . . . . 1.86 108.706 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 31.0 m -65.93 -30.34 70.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.232 0.469 . . . . 1.32 111.18 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' 2101 ' ' GLU . 56.6 mt -70.64 -53.36 16.13 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.323 0.583 . . . . 1.61 110.098 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.801 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.53 -25.9 63.32 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.6 -0.727 . . . . 0.19 112.809 -178.387 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.23 -24.31 63.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.962 0.887 . . . . 0.24 109.543 169.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.65 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.05 -38.37 13.63 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.697 -1.138 . . . . 1.15 109.162 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' 2104 ' ' ASN . 26.0 mt-10 -65.9 -34.86 79.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.264 -0.425 . . . . 0.46 111.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' 2071 ' ' THR . 8.8 mt -56.41 -65.33 0.63 Allowed 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 116.315 -0.402 . . . . 1.13 111.284 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.5 OUTLIER -52.58 -33.27 45.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.871 . . . . 2.11 110.974 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.1 m-20 -55.73 -51.56 66.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.4 110.447 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -69.71 -42.4 74.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.33 110.88 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.3 mp -62.11 -55.02 33.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 1.47 111.75 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.6 t -65.73 -27.54 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.235 0.541 . . . . 0.67 110.132 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.13 -46.88 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 1.29 110.588 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.45 -39.58 74.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.018 -0.992 . . . . 0.4 112.417 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.514 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 40.5 p -80.46 -25.51 38.85 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.415 0.626 . . . . 0.33 109.848 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.31 1.31 90.38 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.016 -0.993 . . . . 0.36 111.186 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.855 HD21 HD23 ' A' 2136 ' ' LEU . 10.5 mt -80.82 -170.2 2.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.595 -0.802 . . . . 0.47 110.478 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.53 123.01 27.1 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.607 -1.179 . . . . 0.43 108.753 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.51 HD13 HD11 ' A' 2118 ' ' LEU . 56.8 mt -138.17 148.89 61.65 Favored Pre-proline 0 C--N 1.312 -1.053 0 CA-C-N 115.14 -0.936 . . . . 1.25 111.856 -168.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.2 Cg_endo -79.61 159.3 25.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.387 2.724 . . . . 0.33 111.897 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.8 Cg_endo -76.97 1.57 8.51 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.272 1.981 . . . . 0.46 111.236 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 15.5 p -98.69 2.15 46.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.703 -0.681 . . . . 0.36 111.572 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.51 HD11 HD13 ' A' 2114 ' ' LEU . 18.5 mt -41.15 -62.43 0.84 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.352 0.596 . . . . 0.79 112.333 174.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.544 HD13 HD11 ' A' 2128 ' ' LEU . 10.0 mm -55.28 -25.72 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.212 -1.358 . . . . 0.28 111.473 -175.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.96 -31.34 17.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.09 -0.504 . . . . 0.38 111.663 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 -34.68 21.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.077 0.465 . . . . 1.34 111.013 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.99 77.9 61.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.736 ' O ' HG23 ' A' 2124 ' ' THR . 29.7 Cg_endo -91.75 103.71 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.77 0 C-N-CA 121.801 1.668 . . . . 0.25 112.902 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.736 HG23 ' O ' ' A' 2123 ' ' PRO . 4.0 p 167.79 157.27 0.14 Allowed Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 127.783 2.433 . . . . 0.13 105.296 159.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.442 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.4 Cg_exo -55.36 -36.76 94.5 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 CA-C-N 121.45 1.554 . . . . 0.14 110.379 171.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.6 t60 -69.5 -45.44 68.91 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.42 111.788 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.4 69.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.01 0.434 . . . . 0.13 110.921 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.544 HD11 HD13 ' A' 2119 ' ' ILE . 39.0 mt -74.11 -33.67 63.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.368 -0.378 . . . . 0.14 111.453 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 60.7 m -56.81 -29.44 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.11 -0.7 . . . . 0.24 109.11 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.5 mt-30 -80.16 -48.78 12.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.253 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.1 t60 -61.54 -53.31 57.97 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.346 -0.388 . . . . 0.35 111.535 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.434 HD12 HG21 ' A' 2110 ' ' THR . 2.6 mm? -57.14 -39.05 74.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.517 0.199 . . . . 1.13 111.073 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.68 -35.9 82.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.627 -0.509 . . . . 0.31 109.627 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 27.8 m -70.15 -40.34 74.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.542 -0.754 . . . . 0.36 110.688 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.476 ' CB ' HD13 ' A' 2112 ' ' LEU . 15.4 mmm180 -63.45 -33.86 76.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.211 0.529 . . . . 1.64 110.609 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.855 HD23 HD21 ' A' 2112 ' ' LEU . 67.0 mt -81.01 -25.65 37.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.523 -0.762 . . . . 0.97 112.026 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.68 111.86 -175.359 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2060 ' ' GLN . 14.2 Cg_exo . . . . . 0 CA--C 1.534 0.509 0 N-CA-C 115.231 1.204 . . . . 0.86 115.231 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2057 ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 30.4 tt0 -67.17 -38.83 86.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.051 0.453 . . . . 1.95 110.707 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -63.38 -40.55 97.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.207 -0.664 . . . . 1.6 109.207 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.619 ' O ' ' HB ' ' A' 2062 ' ' THR . 94.2 mt-30 -57.03 -42.01 79.63 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.253 -0.885 . . . . 1.5 110.699 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.597 ' O ' ' HG ' ' A' 2063 ' ' LEU . 41.9 mt-30 -58.95 -58.26 9.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 116.207 -0.451 . . . . 0.95 109.953 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.579 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.9 mt-30 -56.57 -34.07 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 1.32 111.369 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2059 ' ' GLN . 53.4 m -53.67 -55.61 24.48 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.478 -0.783 . . . . 0.77 111.547 171.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -81.12 -18.9 44.85 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.925 0.869 . . . . 1.32 109.463 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.48 -47.5 75.87 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.105 -1.407 . . . . 0.51 108.289 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.3 m -58.73 -39.82 82.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 113.835 -1.529 . . . . 0.41 110.224 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -60.05 4.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.828 -0.804 . . . . 1.35 108.828 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' 2063 ' ' LEU . 63.6 t -52.63 -45.09 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -0.999 . . . . 0.22 111.342 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.73 69.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.436 -0.802 . . . . 0.17 111.494 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.44 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -64.71 -27.0 68.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.23 110.569 179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.0 71.14 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.423 -0.808 . . . . 0.24 110.19 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.845 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.7 t -84.2 -25.76 29.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.718 -0.793 . . . . 0.28 109.721 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.461 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -48.27 -48.0 35.91 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.021 -0.733 . . . . 0.31 109.021 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 93.0 m -72.41 -46.61 54.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.367 -0.833 . . . . 0.46 111.48 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.81 -40.57 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 112.998 0.74 . . . . 0.56 112.998 -177.39 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.845 ' HG ' ' O ' ' A' 2071 ' ' THR . 12.0 mt -76.68 -36.18 57.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.253 0.549 . . . . 0.74 109.947 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 112.05 32.28 2.45 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.634 -0.793 . . . . 0.93 113.069 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' 2072 ' ' ALA . 29.7 p80 -122.04 -2.72 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.107 0.48 . . . . 0.97 111.505 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2078 ' ' HIS . . . . . 0.407 ' C ' ' HB1' ' A' 2072 ' ' ALA . 64.8 m-70 70.41 -57.18 0.58 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.706 1.372 . . . . 1.56 114.706 168.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 2.7 t -87.82 145.04 35.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 119.363 -0.935 . . . . 1.82 111.817 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.44 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 2.0 Cg_endo -83.38 -0.93 10.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.217 3.945 . . . . 0.51 111.839 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.19 -0.8 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 1.54 111.081 -176.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.5 t -118.87 15.23 13.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.429 -0.805 . . . . 0.63 110.078 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.609 HD12 HG23 ' A' 2071 ' ' THR . 24.8 mm -98.73 112.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.25 110.8 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -88.79 111.71 46.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.024 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.9 Cg_endo -64.27 -28.01 63.91 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.756 2.304 . . . . 0.15 112.67 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.63 -30.38 59.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.612 -0.722 . . . . 0.14 111.391 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 39.6 m -76.5 147.87 37.53 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.402 0.62 . . . . 0.16 109.44 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.532 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.81 142.09 34.05 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.166 -0.924 . . . . 0.15 109.502 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.542 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.0 m-85 -47.83 -36.64 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.272 -0.876 . . . . 0.12 111.909 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.93 -65.95 0.48 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.978 -0.555 . . . . 1.69 110.846 174.535 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.03 -29.59 65.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 2.27 111.273 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.6 mt -71.73 -15.99 62.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.24 111.969 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.98 1.46 10.52 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.251 -0.976 . . . . 0.2 113.741 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.542 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -66.34 130.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.419 0.628 . . . . 0.32 112.544 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 28.5 t70 -108.17 169.67 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.847 -1.07 . . . . 1.86 108.422 173.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 51.0 m -56.62 -32.76 65.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.904 0.774 . . . . 1.32 111.392 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' 2101 ' ' GLU . 47.0 mt -69.08 -54.66 13.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.117 0.484 . . . . 1.61 109.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.574 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.33 -25.62 64.29 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.879 0.696 . . . . 0.19 112.879 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.507 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.95 -23.33 65.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.807 0.813 . . . . 0.24 109.363 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.89 -39.05 13.28 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.865 -1.061 . . . . 1.15 108.886 178.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.0 mt-10 -69.08 -34.87 75.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.46 111.367 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.4 tp -64.33 -56.29 15.44 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 116.206 -0.452 . . . . 1.13 111.032 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' 2100 ' ' LEU . 1.4 ppt_? -56.59 -28.02 59.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.67 -0.695 . . . . 2.11 110.332 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' 2101 ' ' GLU . 51.1 m-20 -64.35 -48.68 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.792 0.329 . . . . 0.4 110.336 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.8 m -61.62 -41.78 97.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.33 110.58 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 2102 ' ' LEU . 7.4 mp -60.55 -50.97 71.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.784 -0.644 . . . . 1.47 110.852 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.417 HG23 ' O ' ' A' 2112 ' ' LEU . 84.7 m -57.07 -41.39 78.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.255 0.55 . . . . 0.67 110.87 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.2 t60 -59.77 -49.84 76.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.398 -0.819 . . . . 1.29 110.918 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -71.89 -44.78 63.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.455 -0.793 . . . . 0.4 113.037 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.436 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 65.5 p -80.73 -26.73 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.163 0.506 . . . . 0.33 110.681 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.89 2.5 90.66 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.822 -0.704 . . . . 0.36 112.233 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.85 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -90.25 -159.46 0.61 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.733 0.778 . . . . 0.47 110.45 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -131.15 123.83 29.38 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.029 -1.441 . . . . 0.43 109.084 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 54.0 mt -135.42 147.83 63.54 Favored Pre-proline 0 C--N 1.311 -1.081 0 CA-C-N 115.032 -0.986 . . . . 1.25 110.7 -171.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.419 ' HD2' HD13 ' A' 2118 ' ' LEU . 85.2 Cg_endo -80.87 157.74 20.98 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.501 2.801 . . . . 0.33 112.312 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.501 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -77.74 0.54 9.72 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.352 2.035 . . . . 0.46 111.382 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 11.0 p -101.52 1.84 38.46 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.457 -0.792 . . . . 0.36 110.944 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' 2115 ' ' PRO . 14.5 tp -44.66 -57.39 3.7 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.669 0.788 . . . . 0.79 112.645 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' 2099 ' ' ALA . 20.6 mm -59.27 -23.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.248 -0.887 . . . . 0.28 111.478 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -90.2 -30.01 17.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.02 0.438 . . . . 0.38 111.35 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -77.89 -34.73 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.794 -0.639 . . . . 1.34 110.496 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2122 ' ' HIS . . . . . 0.449 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 78.5 m-70 -138.21 80.35 28.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.382 -0.826 . . . . 0.43 109.216 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' 2124 ' ' THR . 18.8 Cg_endo -91.63 102.03 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.047 0 C-N-CA 121.844 1.696 . . . . 0.25 111.967 -174.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.722 HG23 ' O ' ' A' 2123 ' ' PRO . 2.6 p 167.24 152.79 0.1 Allowed Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 127.974 2.51 . . . . 0.13 104.713 161.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.459 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -55.6 -36.89 95.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 CA-C-N 121.391 1.532 . . . . 0.14 110.453 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 74.2 t60 -68.3 -43.78 76.91 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.42 111.84 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -56.3 -41.4 75.89 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.094 0.474 . . . . 0.13 110.741 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.452 HD11 HD13 ' A' 2119 ' ' ILE . 38.2 mt -73.14 -29.54 62.95 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.125 -0.489 . . . . 0.14 111.486 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 60.5 m -61.99 -27.54 68.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.538 0.685 . . . . 0.24 109.254 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.2 mt-30 -80.82 -47.83 13.3 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.354 -0.839 . . . . 1.66 110.198 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' 2135 ' ' ARG . 38.6 t-80 -67.51 -50.85 56.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.339 -0.391 . . . . 0.35 111.804 -176.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.45 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.8 mm? -62.75 -29.81 70.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.647 0.24 . . . . 1.13 111.647 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -67.67 -37.91 83.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.864 -0.791 . . . . 0.31 108.864 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 61.3 m -68.27 -36.09 78.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.267 -0.878 . . . . 0.36 111.125 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.642 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.1 mmm180 -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 1.64 111.118 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.85 HD23 HD21 ' A' 2112 ' ' LEU . 97.4 mt -73.26 -14.76 61.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.481 0.919 . . . . 0.97 113.481 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.68 111.373 -177.694 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 2056 ' ' PRO . . . . . 0.678 ' O ' ' HG3' ' A' 2060 ' ' GLN . 68.5 Cg_exo . . . . . 0 N--CA 1.462 -0.34 0 N-CA-C 113.568 0.565 . . . . 0.86 113.568 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.93 -37.68 88.29 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.129 0.268 . . . . 1.95 111.462 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -57.9 -51.34 70.01 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.474 0.654 . . . . 1.6 109.617 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' 2062 ' ' THR . 5.4 mm-40 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.534 -1.212 . . . . 1.5 111.246 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2060 ' ' GLN . . . . . 0.678 ' HG3' ' O ' ' A' 2056 ' ' PRO . 58.8 mt-30 -56.36 -60.03 4.1 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.355 177.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.624 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 79.9 mt-30 -54.41 -35.04 62.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.795 0.331 . . . . 1.32 111.827 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' 2059 ' ' GLN . 95.8 m -53.9 -55.29 28.23 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.839 -0.618 . . . . 0.77 111.025 171.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.64 -20.06 43.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.699 0.762 . . . . 1.32 109.73 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2064 ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.42 -46.9 68.65 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.279 -1.328 . . . . 0.51 108.613 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.2 m -66.85 -36.74 83.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.982 -1.463 . . . . 0.41 110.305 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -57.64 11.97 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.099 -0.704 . . . . 1.35 109.099 177.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 2063 ' ' LEU . 55.2 t -54.03 -47.82 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.15 -0.932 . . . . 0.22 110.972 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.03 -51.79 68.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.164 -0.926 . . . . 0.17 111.855 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.513 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -33.58 74.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.23 111.115 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.36 81.06 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.82 -0.627 . . . . 0.24 109.984 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.748 ' O ' ' HG ' ' A' 2075 ' ' LEU . 10.0 t -85.28 -23.44 28.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 120.068 -0.653 . . . . 0.28 110.573 -174.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.654 ' O ' ' HB3' ' A' 2077 ' ' HIS . . . -56.58 -39.95 74.4 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.677 -0.49 . . . . 0.31 109.677 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.2 m -70.08 -41.86 73.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.545 0.688 . . . . 0.46 110.234 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -66.39 -38.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.261 -0.881 . . . . 0.56 113.201 -175.462 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2071 ' ' THR . 24.4 mt -80.01 -11.44 59.78 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.916 0.339 . . . . 0.74 111.916 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.88 74.35 0.8 Allowed Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.283 -1.927 . . . . 0.93 108.283 -168.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2077 ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' 2072 ' ' ALA . 55.3 t-80 -159.28 -47.39 0.05 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.162 0.506 . . . . 0.97 111.129 -153.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 60.0 m-70 70.28 -49.59 0.65 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.018 1.118 . . . . 1.56 114.018 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 15.3 p -75.22 125.06 89.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 C-N-CA 120.165 -0.614 . . . . 1.82 112.568 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.513 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -83.26 -22.99 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.73 2.953 . . . . 0.51 110.726 173.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.07 -20.64 60.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.928 -1.033 . . . . 1.54 110.729 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.7 t -102.65 21.98 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.785 0.803 . . . . 0.63 109.883 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.583 HD12 HG23 ' A' 2071 ' ' THR . 12.5 mm -95.35 106.43 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.235 -0.893 . . . . 0.25 109.763 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 68.2 m -75.28 113.03 21.55 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 120.692 0.282 . . . . 0.28 110.588 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.544 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.86 -26.11 38.46 Favored 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.584 2.189 . . . . 0.15 112.631 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.16 59.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.599 -0.728 . . . . 0.14 111.472 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.48 ' O ' HG22 ' A' 2124 ' ' THR . 28.6 m -76.87 147.52 37.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.061 -0.718 . . . . 0.16 109.061 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.14 143.35 28.88 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.444 -0.798 . . . . 0.15 110.102 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.516 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.4 m-85 -43.01 -41.15 3.32 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 124.065 0.853 . . . . 0.12 111.786 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.49 -64.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 1.69 111.433 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.589 -0.732 . . . . 2.27 112.153 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.31 -16.69 39.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.399 . . . . 0.24 111.853 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.63 9.71 7.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.206 -0.997 . . . . 0.2 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2119 ' ' ILE . 0.3 OUTLIER -69.29 126.54 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.448 0.642 . . . . 0.32 112.059 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -95.9 165.92 12.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.973 -1.121 . . . . 1.86 107.973 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.1 t -63.69 -30.5 71.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.897 0.772 . . . . 1.32 110.549 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' 2101 ' ' GLU . 53.3 mt -68.61 -51.12 45.79 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.567 0.699 . . . . 1.61 109.757 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.713 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -70.31 -25.87 63.51 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 0.19 112.411 178.306 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.66 -23.1 64.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.886 0.85 . . . . 0.24 109.311 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.13 -37.99 13.83 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.781 -1.099 . . . . 1.15 108.976 178.439 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' 2104 ' ' ASN . 28.3 mt-10 -67.03 -35.48 79.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.46 111.089 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' 2106 ' ' LEU . 5.1 tp -58.94 -59.47 5.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.14 0.495 . . . . 1.13 111.201 176.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -53.93 -34.68 60.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.101 -0.954 . . . . 2.11 110.345 177.198 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -56.03 -50.88 69.68 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.34 -0.391 . . . . 0.4 110.759 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.0 m -69.85 -41.84 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.396 -0.366 . . . . 0.33 111.198 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 2102 ' ' LEU . 78.1 mt -64.97 -49.06 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 1.47 111.278 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.78 -27.79 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.163 0.506 . . . . 0.67 110.241 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.4 t60 -71.17 -48.29 52.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 1.29 110.343 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.38 -43.56 77.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.069 -0.969 . . . . 0.4 112.332 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.567 ' HB ' HD21 ' A' 2136 ' ' LEU . 62.5 p -76.27 -23.69 54.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.516 0.674 . . . . 0.33 109.243 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.4 5.54 89.47 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.91 -1.041 . . . . 0.36 112.315 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.915 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -95.83 -159.63 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.468 0.651 . . . . 0.47 110.018 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -133.51 123.41 25.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.782 -1.099 . . . . 0.43 109.526 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.524 HD13 HD11 ' A' 2118 ' ' LEU . 66.0 mt -132.22 151.02 77.61 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 114.968 -1.015 . . . . 1.25 111.368 -169.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -78.85 156.0 27.0 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.957 2.438 . . . . 0.33 111.68 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.6 Cg_endo -76.68 2.95 6.89 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.167 1.911 . . . . 0.46 111.582 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 14.4 p -99.49 -2.15 36.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.6 -0.727 . . . . 0.36 112.023 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.524 HD11 HD13 ' A' 2114 ' ' LEU . 20.3 mt -38.38 -62.81 0.55 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.61 0.719 . . . . 0.79 112.482 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2094 ' ' ILE . 6.8 mm -57.32 -25.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.769 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -86.13 -36.86 19.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.113 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.59 -32.3 41.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.862 -0.608 . . . . 1.34 111.404 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2122 ' ' HIS . . . . . 0.402 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 71.8 m-70 -137.3 77.2 42.1 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.845 -0.798 . . . . 0.43 108.845 -177.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.714 ' O ' HG23 ' A' 2124 ' ' THR . 17.8 Cg_endo -92.08 102.29 0.2 Allowed 'Trans proline' 0 N--CA 1.435 -1.964 0 C-N-CA 121.778 1.652 . . . . 0.25 112.193 -173.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.714 HG23 ' O ' ' A' 2123 ' ' PRO . 1.7 p 168.11 152.66 0.12 Allowed Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 127.74 2.416 . . . . 0.13 105.344 163.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 53.2 Cg_exo -55.07 -36.3 92.5 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 CA-C-N 121.183 1.458 . . . . 0.14 110.185 171.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.0 t60 -68.62 -44.98 73.11 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.42 112.056 178.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.58 -39.75 71.1 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.344 0.52 . . . . 0.13 110.597 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.426 ' HB3' HD23 ' A' 2132 ' ' LEU . 38.4 mt -74.79 -28.93 60.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.14 111.561 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.507 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 30.0 m -60.05 -30.58 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.919 0.866 . . . . 0.24 109.004 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 3.5 mt-30 -80.51 -49.01 11.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.842 -1.072 . . . . 1.66 110.16 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 83.2 t60 -64.54 -51.54 62.33 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.263 -0.426 . . . . 0.35 111.545 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.0 mm? -63.43 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.032 -0.267 . . . . 1.13 111.522 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -68.97 -36.8 78.3 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.209 -0.663 . . . . 0.31 109.209 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.6 m -66.37 -50.08 64.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.581 -0.736 . . . . 0.36 110.048 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.599 ' HB3' HD13 ' A' 2112 ' ' LEU . 21.2 mmm180 -54.77 -49.52 70.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 1.64 112.138 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2136 ' ' LEU . . . . . 0.915 HD23 HD21 ' A' 2112 ' ' LEU . 94.9 mt -62.52 -36.04 81.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.32 0.489 . . . . 0.97 112.32 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.441 -0.897 0 CA-C-N 116.322 -0.399 . . . . 0.68 111.735 -172.368 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.791 -0.523 . . . . 6.15 111.791 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 17.7 m -102.16 33.4 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.286 0.565 . . . . 6.22 110.683 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -142.84 158.16 43.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.378 0.609 . . . . 3.33 111.005 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.613 ' C ' ' H ' ' A' 2051 ' ' LEU . 20.2 ttt -81.78 37.95 0.49 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.568 -1.197 . . . . 2.18 110.999 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' 2052 ' ' ASN . 40.1 mmt180 -39.44 10.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.848 2.059 . . . . 9.04 116.327 174.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' 2051 ' ' LEU . 29.0 tp -37.9 14.09 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 127.94 2.496 . . . . 2.25 116.661 174.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.683 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 71.0 m-20 -65.46 157.08 30.44 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.683 -1.261 . . . . 4.07 110.402 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.87 -31.0 7.6 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.921 -0.872 . . . . 1.88 110.921 -173.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.93 148.32 25.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.211 -0.663 . . . . 1.6 109.211 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 33.0 m -59.92 150.2 70.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.335 -0.393 . . . . 1.18 110.066 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 47.1 Cg_exo -40.99 -55.45 2.07 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.627 2.885 . . . . 0.86 113.881 -176.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.11 -39.94 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.062 0.226 . . . . 1.95 111.347 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -55.2 -45.65 75.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.235 0.54 . . . . 1.6 109.821 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.683 ' NE2' ' HA ' ' A' 2052 ' ' ASN . 95.2 mt-30 -63.73 -45.85 88.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.316 -0.857 . . . . 1.5 110.947 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.4 mt-30 -56.92 -60.61 3.32 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.392 -0.367 . . . . 0.95 110.629 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.8 mt-30 -52.95 -35.43 58.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.975 0.416 . . . . 1.32 111.794 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' 2059 ' ' GLN . 99.3 m -56.25 -54.13 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.77 111.353 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -81.44 -18.01 46.81 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.836 0.827 . . . . 1.32 109.74 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.68 -49.08 64.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.071 -1.422 . . . . 0.51 108.417 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 95.3 m -61.01 -37.63 83.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.98 -1.464 . . . . 0.41 110.296 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' 2109 ' ' ASN . 0.0 OUTLIER -58.52 -58.25 9.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.831 -0.803 . . . . 1.35 108.831 176.497 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2063 ' ' LEU . 52.6 t -53.13 -44.68 52.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.294 -0.866 . . . . 0.22 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.22 -53.36 50.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.17 111.595 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.69 -28.94 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 0.23 110.774 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.81 82.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.641 -0.708 . . . . 0.24 110.402 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.83 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.62 -26.97 24.12 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.934 -0.706 . . . . 0.28 109.991 -176.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.559 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -49.54 -47.95 48.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.873 -0.788 . . . . 0.31 108.873 167.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.46 111.402 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.5 -40.56 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -177.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.83 ' HG ' ' O ' ' A' 2071 ' ' THR . 10.3 mt -80.07 -37.29 34.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.74 109.773 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.39 12.01 16.29 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.799 -0.715 . . . . 0.93 113.159 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 13.4 p80 -100.17 -7.31 24.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.228 0.514 . . . . 0.97 111.321 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.559 ' C ' ' HB1' ' A' 2072 ' ' ALA . 95.1 m-70 70.86 -31.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.126 1.528 . . . . 1.56 115.126 166.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.8 p -81.38 126.08 77.32 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 118.966 0.803 . . . . 1.82 113.016 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.9 Cg_exo -85.22 -13.24 6.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.631 2.887 . . . . 0.51 111.205 173.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.19 -18.73 38.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 1.54 110.538 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 18.6 t -92.81 21.61 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.697 . . . . 0.63 110.086 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.498 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -105.77 108.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.486 -0.779 . . . . 0.25 110.275 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 48.5 m -86.03 115.57 62.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.346 -0.388 . . . . 0.28 110.678 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.82 -28.12 51.28 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 C-N-CA 122.797 2.331 . . . . 0.15 112.929 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.54 -23.32 40.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.731 -0.668 . . . . 0.14 110.877 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.465 ' O ' HG22 ' A' 2124 ' ' THR . 39.0 m -80.26 146.83 31.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.934 -0.765 . . . . 0.16 108.934 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.55 145.54 27.33 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 0.15 109.596 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.1 m-85 -50.8 -35.28 31.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.58 -0.736 . . . . 0.12 111.904 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.539 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.1 -64.66 0.73 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.091 0.472 . . . . 1.69 110.575 171.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -60.06 -24.36 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.271 -0.877 . . . . 2.27 111.325 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' 2075 ' ' LEU . 88.2 mt -80.52 -12.64 59.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.995 -0.548 . . . . 0.24 112.085 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.6 2.65 14.76 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.247 -0.978 . . . . 0.2 114.3 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.7 mm -64.68 130.72 30.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.203 0.816 . . . . 0.32 113.203 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -103.69 171.57 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.918 -1.037 . . . . 1.86 108.629 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 34.5 p -57.86 -41.69 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.451 0.569 . . . . 1.32 111.092 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' A' 2101 ' ' GLU . 14.1 tp -60.86 -55.68 30.17 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.954 -0.566 . . . . 1.61 110.59 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.43 ' CG2' HG13 ' A' 2074 ' ' VAL . 0.2 OUTLIER -68.1 -25.78 65.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 113.164 0.802 . . . . 0.19 113.164 -178.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.46 -24.28 65.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.894 0.854 . . . . 0.24 109.308 170.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -39.16 12.41 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.942 -1.026 . . . . 1.15 109.175 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.8 mt-10 -66.27 -34.92 79.09 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.808 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.8 tp -65.82 -52.38 51.12 Favored 'General case' 0 N--CA 1.418 -2.05 0 CA-C-O 121.472 0.653 . . . . 1.13 109.628 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -48.56 -41.32 30.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 2.11 110.755 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.9 m-20 -58.63 -49.51 77.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.4 110.793 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 39.7 m -65.75 -48.17 72.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.423 -0.353 . . . . 0.33 111.561 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' 2106 ' ' LEU . 2.0 mm? -59.82 -49.97 75.64 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 111.933 0.346 . . . . 1.47 111.933 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -28.44 69.86 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.18 0.515 . . . . 0.67 110.329 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.5 t60 -73.54 -48.45 32.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.521 -0.763 . . . . 1.29 110.535 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' 2066 ' ' LEU . 9.6 m-80 -67.51 -44.61 78.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.119 -0.946 . . . . 0.4 112.402 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' A' 2049 ' ' MET . 58.6 p -74.01 -25.49 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.772 0.796 . . . . 0.33 109.377 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.24 5.05 87.7 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.039 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.802 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -96.44 -160.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.406 0.622 . . . . 0.47 110.157 -178.15 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -135.19 120.41 18.91 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.109 -0.951 . . . . 0.43 109.694 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 71.4 mt -129.4 157.4 76.38 Favored Pre-proline 0 C--N 1.306 -1.312 0 CA-C-N 114.502 -1.226 . . . . 1.25 110.886 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.594 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.1 Cg_endo -80.68 149.95 18.66 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 123.017 2.478 . . . . 0.33 111.972 176.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.88 5.05 2.73 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.251 1.967 . . . . 0.46 111.598 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 21.1 p -101.42 0.38 36.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.646 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2115 ' ' PRO . 56.1 mt -38.02 -62.86 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.734 0.778 . . . . 0.79 112.094 173.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.534 HG13 ' HA ' ' A' 2099 ' ' ALA . 7.9 mm -60.05 -21.95 23.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 113.826 -1.533 . . . . 0.28 111.748 -174.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -90.73 -34.66 15.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.383 -0.371 . . . . 0.38 111.778 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.73 -32.72 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 1.34 111.333 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -129.5 71.04 82.13 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 108.583 -0.895 . . . . 0.43 108.583 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.664 ' O ' HG23 ' A' 2124 ' ' THR . 28.5 Cg_endo -91.9 102.89 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.045 0 C-N-CA 121.878 1.719 . . . . 0.25 112.438 -171.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.664 HG23 ' O ' ' A' 2123 ' ' PRO . 1.5 p 167.2 155.54 0.12 Allowed Pre-proline 0 C--N 1.321 -0.638 0 C-N-CA 127.546 2.339 . . . . 0.13 105.359 161.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 44.0 Cg_exo -55.18 -39.55 90.39 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 121.276 1.492 . . . . 0.14 109.999 172.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' A' 2130 ' ' GLN . 60.0 t60 -62.04 -48.65 79.29 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.029 -0.532 . . . . 0.42 111.58 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -54.63 -41.36 69.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.144 0.497 . . . . 0.13 110.951 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' 2089 ' ' PHE . 52.3 mt -76.9 -32.85 57.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.157 -0.474 . . . . 0.14 111.731 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.404 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 89.4 m -58.18 -31.96 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.954 0.883 . . . . 0.24 108.936 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' 2126 ' ' HIS . 43.9 mm-40 -80.38 -42.94 21.92 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.785 -1.098 . . . . 1.66 111.058 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -63.59 -52.76 59.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.412 0.153 . . . . 0.35 111.412 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.5 mm? -63.18 -34.76 78.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.744 -0.207 . . . . 1.13 111.518 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -66.69 -37.05 83.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.342 -0.614 . . . . 0.31 109.342 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.4 m -63.41 -52.34 61.96 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.775 -0.648 . . . . 0.36 110.25 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.7 mmm180 -51.71 -48.56 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.841 0.682 . . . . 1.64 112.841 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.802 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -70.35 -31.95 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.37 0.507 . . . . 0.97 112.37 -175.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.0 p -86.07 -28.95 23.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.051 0.453 . . . . 0.68 110.985 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -85.35 107.87 17.56 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 1.96 109.512 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 40.5 t -129.21 41.24 3.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.514 0.673 . . . . 3.1 110.563 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 12.0 t-80 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.351 -0.833 . . . . 6.9 109.742 179.426 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.951 0 N-CA-C 112.159 -0.377 . . . . 6.15 112.159 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 50.8 m 69.38 -62.21 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.295 0.638 . . . . 6.22 111.492 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.64 179.83 3.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.719 -0.475 . . . . 3.33 109.719 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.583 ' HB2' ' HA ' ' A' 2110 ' ' THR . 6.2 ttt -85.59 37.35 0.69 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.468 -0.787 . . . . 2.18 111.14 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' 2052 ' ' ASN . 10.1 mtt85 -35.87 9.95 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 117.81 2.522 . . . . 9.04 117.81 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' 2051 ' ' LEU . 26.0 tp -39.92 41.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 127.822 2.449 . . . . 2.25 116.637 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' 2050 ' ' ARG . 84.8 m-20 -79.08 152.58 30.76 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.763 -1.211 . . . . 4.07 109.788 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 108.76 -30.26 8.95 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.661 -0.78 . . . . 1.88 112.298 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -85.01 145.37 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.913 -0.403 . . . . 1.6 109.913 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 45.3 m -64.37 149.08 95.41 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.969 -0.56 . . . . 1.18 110.255 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.677 ' O ' ' HG3' ' A' 2060 ' ' GLN . 48.0 Cg_exo -38.04 -52.67 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 124.005 3.136 . . . . 0.86 113.529 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 59.8 tt0 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.556 0.206 . . . . 1.95 111.556 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -61.0 -42.7 98.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.325 0.583 . . . . 1.6 109.554 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.533 ' HA ' HD21 ' A' 2051 ' ' LEU . 99.2 mt-30 -63.39 -39.07 93.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.25 -0.886 . . . . 1.5 110.67 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.677 ' HG3' ' O ' ' A' 2056 ' ' PRO . 48.3 mt-30 -58.24 -60.93 3.0 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 110.197 -0.297 . . . . 0.95 110.197 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 75.3 mt-30 -51.24 -34.75 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.506 0.504 . . . . 1.32 111.9 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.4 m -57.08 -51.64 68.46 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.557 -0.747 . . . . 0.77 111.286 173.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 7.4 mt -78.41 -22.06 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.783 0.802 . . . . 1.32 109.323 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.88 -49.64 65.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.104 -1.407 . . . . 0.51 108.363 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 90.1 m -66.6 -35.3 79.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.861 -1.518 . . . . 0.41 110.427 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.642 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 15.3 tp -58.92 -62.88 1.55 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.612 -0.722 . . . . 1.35 110.449 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.466 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.5 t -53.79 -41.91 49.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.18 -1.373 . . . . 0.22 110.935 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.533 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.65 -51.07 68.69 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.002 -0.999 . . . . 0.17 111.41 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.483 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.95 -28.08 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.13 0.491 . . . . 0.23 110.876 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.44 74.34 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.765 -0.652 . . . . 0.24 110.395 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.784 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.4 t -87.82 -22.99 24.17 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.953 -0.699 . . . . 0.28 109.863 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -51.79 -44.82 63.58 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.66 -0.867 . . . . 0.31 108.66 165.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.3 m -70.15 -52.09 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.338 -0.846 . . . . 0.46 110.765 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.704 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -58.53 -41.68 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 113.408 0.892 . . . . 0.56 113.408 -175.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.8 mt -82.52 -18.9 39.9 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-O 121.274 0.559 . . . . 0.74 110.215 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 87.69 39.38 7.15 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.556 -0.747 . . . . 0.93 113.499 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 11.8 p80 -125.38 -7.83 6.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.288 0.544 . . . . 0.97 111.414 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.484 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.2 m-70 69.97 -23.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.627 1.714 . . . . 1.56 115.627 166.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.8 p -89.54 124.51 64.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 119.311 0.96 . . . . 1.82 113.064 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.483 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.87 -15.85 5.6 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.868 3.046 . . . . 0.51 111.177 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.17 -19.82 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 1.54 110.523 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 16.1 t -94.5 21.63 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 0.63 110.195 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.549 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -103.22 117.12 48.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.653 -0.703 . . . . 0.25 110.277 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 36.5 m -84.48 108.79 15.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.202 -0.454 . . . . 0.28 110.282 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.437 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.2 Cg_endo -66.78 -28.52 43.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.444 2.096 . . . . 0.15 112.484 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.01 57.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.654 -0.703 . . . . 0.14 111.273 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.3 m -75.39 148.13 39.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.085 -0.709 . . . . 0.16 109.085 175.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.52 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.12 144.44 29.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.222 -0.899 . . . . 0.15 109.861 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.518 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.8 m-85 -48.09 -39.44 20.3 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.705 0.628 . . . . 0.12 111.986 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.29 -65.48 0.56 Allowed 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 123.718 0.636 . . . . 1.69 110.675 175.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.28 -28.26 66.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.085 -0.961 . . . . 2.27 111.206 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.466 HD21 ' HB ' ' A' 2087 ' ' THR . 88.7 mt -73.6 -14.87 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.24 112.618 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.65 8.08 11.35 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.847 -1.168 . . . . 0.2 113.35 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -74.8 127.72 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.364 0.602 . . . . 0.32 112.253 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.74 -178.65 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.86 109.446 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 6.5 p -63.57 -43.22 97.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 1.32 110.914 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.6 tp -59.99 -56.71 18.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.432 -0.804 . . . . 1.61 110.616 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.504 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.84 -25.66 64.76 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 113.151 0.797 . . . . 0.19 113.151 -178.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.533 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -24.48 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.903 0.859 . . . . 0.24 109.374 170.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.7 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.98 -40.12 11.85 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.631 -1.168 . . . . 1.15 109.191 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.1 mt-10 -66.77 -33.09 74.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.171 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' 2106 ' ' LEU . 13.9 tp -65.06 -55.61 17.85 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 116.175 -0.466 . . . . 1.13 110.658 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.7 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -57.47 -30.96 65.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.431 -0.804 . . . . 2.11 110.55 176.111 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' 2101 ' ' GLU . 87.5 m-20 -58.93 -54.21 49.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.036 0.446 . . . . 0.4 110.29 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 35.2 m -63.0 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.33 110.725 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.1 mt -64.46 -50.22 68.35 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.273 -0.421 . . . . 1.47 111.174 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' 2103 ' ' ARG . 0.4 OUTLIER -60.92 -29.22 69.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.331 0.586 . . . . 0.67 110.327 -178.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.27 -46.11 57.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.709 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -73.17 -34.6 66.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.19 -0.913 . . . . 0.4 112.484 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.592 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 55.3 p -86.26 -26.81 24.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.361 0.6 . . . . 0.33 110.757 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.19 4.62 89.83 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.412 -0.813 . . . . 0.36 111.093 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.61 HD21 HD13 ' A' 2136 ' ' LEU . 6.8 mt -91.8 -174.6 3.88 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.653 0.74 . . . . 0.47 110.557 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -128.42 116.05 19.16 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.474 -1.239 . . . . 0.43 109.68 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' 2118 ' ' LEU . 2.8 mm? -120.19 152.52 54.71 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 114.254 -1.339 . . . . 1.25 110.94 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -75.91 158.5 38.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.251 2.634 . . . . 0.33 111.907 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.4 Cg_endo -76.19 2.3 7.35 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.237 1.958 . . . . 0.46 111.195 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.9 p -102.89 4.15 37.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.534 -0.757 . . . . 0.36 111.919 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' 2103 ' ' ARG . 12.2 mt -41.05 -64.16 0.58 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.451 0.643 . . . . 0.79 112.438 174.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2094 ' ' ILE . 8.7 mm -55.97 -24.55 17.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.151 -1.386 . . . . 0.28 111.74 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -88.53 -28.54 20.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.095 -0.502 . . . . 0.38 111.57 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.32 -36.89 14.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.245 0.545 . . . . 1.34 111.005 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -130.68 77.82 74.98 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.472 -0.936 . . . . 0.43 108.472 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' 2124 ' ' THR . 32.9 Cg_endo -91.98 102.47 0.21 Allowed 'Trans proline' 0 N--CA 1.436 -1.902 0 C-N-CA 121.755 1.637 . . . . 0.25 112.412 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.719 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 155.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 127.694 2.397 . . . . 0.13 105.344 161.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.402 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 49.2 Cg_exo -55.39 -38.39 93.92 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.38 1.529 . . . . 0.14 110.228 171.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.576 ' O ' ' HG3' ' A' 2130 ' ' GLN . 53.1 t60 -64.27 -46.94 81.52 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.42 111.731 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.29 74.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.985 0.422 . . . . 0.13 111.328 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.43 HD11 HD13 ' A' 2119 ' ' ILE . 42.2 mt -75.23 -32.09 61.04 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 116.437 -0.347 . . . . 0.14 111.451 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 95.0 m -57.2 -30.91 64.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.555 0.693 . . . . 0.24 109.23 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -77.01 -49.05 16.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.016 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.554 ' O ' ' HG2' ' A' 2135 ' ' ARG . 76.7 t60 -65.14 -52.36 55.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 0.35 111.749 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.8 mm? -60.88 -32.97 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.084 -0.247 . . . . 1.13 111.202 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -64.16 -37.9 89.13 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.349 0.595 . . . . 0.31 109.428 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' 2138 ' ' GLN . 49.8 m -68.57 -33.91 74.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.092 -0.958 . . . . 0.36 110.933 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.57 ' CB ' HD13 ' A' 2112 ' ' LEU . 14.3 mmm180 -68.53 -42.63 78.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.898 0.332 . . . . 1.64 111.898 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.61 HD13 HD21 ' A' 2112 ' ' LEU . 3.6 mm? -68.79 -37.92 79.62 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.074 0.464 . . . . 0.97 111.984 176.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.1 p -82.26 -30.72 30.53 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.68 112.385 -169.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' 2134 ' ' THR . 89.6 mm-40 -79.06 152.42 30.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.533 -0.303 . . . . 1.96 110.548 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 6.1 p -77.62 76.99 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.563 0.697 . . . . 3.1 110.185 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.298 -0.865 . . . . 6.9 110.016 -178.01 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.805 -0.518 . . . . 6.15 111.805 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 13.4 p -106.44 38.34 2.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 6.22 110.351 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 72.7 m-70 56.08 -126.01 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.511 -0.768 . . . . 3.33 110.459 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.545 ' C ' ' H ' ' A' 2051 ' ' LEU . 16.2 ttt -112.44 37.42 3.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.481 -0.327 . . . . 2.18 110.343 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' 2050 ' ' ARG . 22.9 tpt180 -38.14 3.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.835 1.791 . . . . 9.04 115.835 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' 2059 ' ' GLN . 26.2 tp -39.98 -17.62 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.162 1.385 . . . . 2.25 113.677 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 16.4 m120 -48.71 151.0 1.26 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.175 0.512 . . . . 4.07 111.284 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.82 -30.43 7.77 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.166 -0.774 . . . . 1.88 111.166 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.54 155.3 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.289 -0.634 . . . . 1.6 109.289 170.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' 2058 ' ' GLN . 26.6 m -61.82 148.87 86.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.278 -0.419 . . . . 1.18 110.16 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.9 Cg_exo -38.6 -55.9 1.22 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 124.314 3.343 . . . . 0.86 114.295 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.03 -36.19 81.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.702 0.287 . . . . 1.95 110.668 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' 2055 ' ' SER . 20.9 mm-40 -58.16 -38.96 77.63 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.255 0.55 . . . . 1.6 110.147 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.597 ' HA ' HD21 ' A' 2051 ' ' LEU . 45.7 mt-30 -71.09 -43.01 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.529 -0.759 . . . . 1.5 110.75 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.9 mt-30 -59.51 -61.29 2.74 Favored 'General case' 0 C--O 1.205 -1.257 0 CA-C-N 116.277 -0.42 . . . . 0.95 111.11 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 91.0 mt-30 -48.23 -35.19 11.48 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.485 0.491 . . . . 1.32 111.903 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 2059 ' ' GLN . 89.0 m -58.79 -57.09 14.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.447 -0.797 . . . . 0.77 111.409 173.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 4.2 pp -76.65 -19.09 58.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.827 0.822 . . . . 1.32 109.592 -176.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.44 -50.52 63.1 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.093 -1.412 . . . . 0.51 108.422 175.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.8 m -65.63 -33.19 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.915 -1.493 . . . . 0.41 110.3 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.0 tp -60.67 -61.62 2.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 1.35 110.75 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2063 ' ' LEU . 58.1 t -50.1 -45.11 23.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.886 -1.052 . . . . 0.22 110.768 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.553 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.39 -47.44 86.07 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.843 -1.071 . . . . 0.17 111.429 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.54 -30.45 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.23 111.18 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -64.72 -45.87 84.7 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.877 -0.602 . . . . 0.24 109.735 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.733 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.6 t -87.39 -25.9 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.154 -0.618 . . . . 0.28 111.235 -176.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -52.26 -42.83 64.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.73 -0.841 . . . . 0.31 108.73 167.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.9 m -75.38 -48.83 21.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.412 -0.813 . . . . 0.46 111.099 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.1 -40.55 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 113.119 0.785 . . . . 0.56 113.119 -175.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.4 mt -83.56 -14.21 52.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.346 0.593 . . . . 0.74 110.156 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.28 38.59 25.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.93 112.91 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.42 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.2 p80 -121.51 -15.68 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.179 0.49 . . . . 0.97 111.274 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.443 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.4 m-70 66.07 -178.74 0.2 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.371 -0.831 . . . . 1.56 111.266 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 25.6 p 54.09 115.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 114.528 1.307 . . . . 1.82 114.528 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.2 Cg_exo -80.99 -16.69 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.459 3.439 . . . . 0.51 111.085 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -78.89 -17.58 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.386 -0.825 . . . . 1.54 109.872 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -93.74 21.51 6.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.63 109.853 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.553 HG13 ' HB1' ' A' 2068 ' ' ALA . 12.5 mm -105.96 122.33 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.25 110.168 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 18.9 m -87.55 110.62 35.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.337 -0.392 . . . . 0.28 110.511 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' A' 2124 ' ' THR . 30.7 Cg_endo -67.63 -26.57 39.47 Favored 'Trans proline' 0 CA--C 1.514 -0.51 0 C-N-CA 122.739 2.293 . . . . 0.15 112.797 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.64 44.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.002 -0.544 . . . . 0.14 111.055 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.446 ' O ' HG22 ' A' 2124 ' ' THR . 28.0 m -75.95 145.75 40.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.2 -0.667 . . . . 0.16 109.2 174.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.63 142.42 32.77 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.194 -0.912 . . . . 0.15 109.082 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' 2092 ' ' LEU . 35.0 m-85 -47.27 -37.62 11.02 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.004 0.815 . . . . 0.12 111.774 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.548 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.27 -65.64 0.53 Allowed 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.551 0.532 . . . . 1.69 110.776 174.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.426 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.6 t70 -56.0 -31.68 63.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.447 -0.797 . . . . 2.27 111.108 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 2089 ' ' PHE . 81.8 mt -69.54 -17.43 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.624 -0.716 . . . . 0.24 111.973 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.67 -1.26 11.15 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.511 -0.852 . . . . 0.2 113.416 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2119 ' ' ILE . 5.7 mm -64.32 132.47 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.984 0.735 . . . . 0.32 112.984 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.45 165.45 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.791 -1.095 . . . . 1.86 108.253 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 27.9 t -53.54 -35.13 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 118.706 0.685 . . . . 1.32 111.551 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.7 mt -67.49 -53.74 26.14 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.246 0.546 . . . . 1.61 110.092 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.687 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.85 -26.27 65.06 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.19 112.303 178.575 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.57 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.28 -24.41 64.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.887 0.851 . . . . 0.24 109.405 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -37.49 14.07 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.633 -1.167 . . . . 1.15 109.005 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' 2097 ' ' LEU . 26.9 mt-10 -66.19 -36.96 84.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.988 -0.551 . . . . 0.46 111.315 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 11.1 mt -54.61 -62.09 1.88 Allowed 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.219 0.533 . . . . 1.13 109.685 173.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -48.81 -39.74 26.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.232 -1.349 . . . . 2.11 111.171 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -57.15 -53.1 61.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.4 111.314 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 99.8 m -71.51 -40.23 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 0.33 111.19 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' 2107 ' ' THR . 0.6 OUTLIER -72.45 -42.92 64.46 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 123.439 0.695 . . . . 1.47 112.01 -174.188 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.498 ' N ' HD23 ' A' 2106 ' ' LEU . 1.3 t -69.69 -27.04 64.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.307 -0.627 . . . . 0.67 109.307 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.03 -52.71 32.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.255 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -63.29 -37.33 86.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.256 -0.883 . . . . 0.4 112.661 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.578 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.5 p -83.02 -19.08 37.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.46 0.648 . . . . 0.33 110.298 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 73.08 6.71 69.17 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.265 -0.879 . . . . 0.36 111.307 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.578 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.6 mt -86.99 -171.85 3.7 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.613 0.72 . . . . 0.47 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.9 t70 -134.26 109.7 9.03 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.589 -1.187 . . . . 0.43 109.941 174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' 2112 ' ' LEU . 2.7 mm? -121.88 154.24 60.76 Favored Pre-proline 0 C--N 1.298 -1.645 0 CA-C-N 113.718 -1.583 . . . . 1.25 111.123 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.636 ' O ' ' HG ' ' A' 2118 ' ' LEU . 87.8 Cg_endo -77.03 152.2 31.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 123.134 2.556 . . . . 0.33 111.487 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.5 -7.01 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.214 1.943 . . . . 0.46 111.389 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -91.24 4.26 52.74 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.36 111.748 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.7 mt -39.36 -61.31 0.8 Allowed 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.968 0.889 . . . . 0.79 111.306 171.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -56.18 -25.63 20.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.362 -1.745 . . . . 0.28 111.902 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -90.36 -34.51 15.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.856 0.36 . . . . 0.38 111.602 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -85.82 -32.66 21.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.592 0.71 . . . . 1.34 110.744 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -132.15 75.93 73.98 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 108.279 -1.008 . . . . 0.43 108.279 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.707 ' O ' HG23 ' A' 2124 ' ' THR . 32.4 Cg_endo -91.55 102.96 0.23 Allowed 'Trans proline' 0 N--CA 1.436 -1.862 0 C-N-CA 121.403 1.402 . . . . 0.25 112.74 -171.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.707 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 166.82 158.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 127.944 2.498 . . . . 0.13 105.146 158.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.422 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.1 Cg_exo -55.75 -37.89 95.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 CA-C-N 121.405 1.538 . . . . 0.14 110.113 170.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.475 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 53.5 t60 -67.64 -42.0 82.95 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.728 -0.669 . . . . 0.42 112.03 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.5 80.52 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.105 0.479 . . . . 0.13 110.615 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.542 HD11 HD13 ' A' 2119 ' ' ILE . 46.9 mt -75.46 -26.72 58.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 0.14 111.449 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.487 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 31.9 m -60.47 -28.83 68.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.648 0.737 . . . . 0.24 109.118 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.26 -53.15 6.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.205 -0.907 . . . . 1.66 110.665 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -61.45 -49.98 74.63 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.159 0.429 . . . . 0.35 112.159 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.41 -28.58 68.03 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.991 -0.284 . . . . 1.13 111.415 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -67.19 -45.03 78.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.756 -0.831 . . . . 0.31 108.756 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 84.9 m -58.74 -38.05 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.012 -0.995 . . . . 0.36 111.509 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.517 ' HB3' HD22 ' A' 2112 ' ' LEU . 14.5 mmm180 -63.23 -44.53 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 1.64 111.611 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.517 HD23 HD21 ' A' 2112 ' ' LEU . 90.9 mt -75.13 -32.06 61.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.751 0.648 . . . . 0.97 112.751 -175.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.8 p -97.36 -44.8 6.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.337 0.589 . . . . 0.68 111.925 -174.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 146.99 24.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.332 -0.849 . . . . 1.96 111.049 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 1.2 p -93.54 90.06 6.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.645 -0.707 . . . . 3.1 110.485 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.512 -0.756 . . . . 6.9 110.18 -177.783 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.767 -0.533 . . . . 6.15 111.767 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 15.9 m -74.08 -60.61 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 6.22 110.556 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 64.3 m80 -89.76 157.66 17.86 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.502 -0.555 . . . . 3.33 109.502 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.635 ' C ' ' H ' ' A' 2051 ' ' LEU . 12.3 ttt -82.47 35.24 0.45 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.759 -0.655 . . . . 2.18 111.151 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' 2052 ' ' ASN . 10.2 mtt180 -47.33 6.21 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.397 1.479 . . . . 9.04 114.992 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' 2051 ' ' LEU . 51.1 tp -27.7 44.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 129.662 3.185 . . . . 2.25 118.048 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' 2050 ' ' ARG . 8.6 p30 -77.61 160.81 28.28 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 120.893 -1.129 . . . . 4.07 109.266 174.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.78 -23.04 20.61 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.033 -0.827 . . . . 1.88 111.033 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.403 ' HB2' ' HG2' ' A' 2059 ' ' GLN . 80.7 mt -100.19 153.17 19.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.391 -0.596 . . . . 1.6 109.391 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 44.8 m -68.05 145.94 97.93 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 108.906 -0.776 . . . . 1.18 108.906 171.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.699 ' O ' ' HG3' ' A' 2060 ' ' GLN . 33.7 Cg_exo -39.69 -51.91 2.76 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.715 2.943 . . . . 0.86 114.096 -176.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.58 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.604 0.24 . . . . 1.95 111.319 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -66.96 -42.01 85.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.08 0.467 . . . . 1.6 110.0 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' 2062 ' ' THR . 45.0 mt-30 -59.89 -41.64 92.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.646 -0.706 . . . . 1.5 109.61 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.699 ' HG3' ' O ' ' A' 2056 ' ' PRO . 65.1 mt-30 -59.43 -59.05 6.08 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.401 -0.818 . . . . 0.95 110.651 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 28.5 mt-30 -52.17 -34.48 45.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.085 0.469 . . . . 1.32 111.924 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.8 m -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.721 -0.672 . . . . 0.77 111.129 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -78.74 -18.41 54.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.889 0.852 . . . . 1.32 109.29 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.26 -44.22 84.29 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.125 -1.398 . . . . 0.51 108.737 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.7 m -61.95 -39.25 91.46 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 113.873 -1.512 . . . . 0.41 110.132 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -55.81 30.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.536 -0.756 . . . . 1.35 108.996 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 2063 ' ' LEU . 70.5 t -52.04 -47.6 42.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.053 -0.976 . . . . 0.22 111.275 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.4 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -65.57 -49.32 69.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.32 -0.855 . . . . 0.17 111.567 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.39 70.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.177 0.513 . . . . 0.23 110.671 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.04 82.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.531 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.798 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.5 t -86.45 -25.01 25.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.05 -0.66 . . . . 0.28 110.475 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -48.84 -49.23 40.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.13 -0.693 . . . . 0.31 109.13 166.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.6 m -67.73 -49.17 63.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.43 -0.804 . . . . 0.46 110.99 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.75 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.564 0.95 . . . . 0.56 113.564 -175.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -80.31 -16.53 54.41 Favored 'General case' 0 CA--C 1.523 -0.067 0 O-C-N 121.952 -0.467 . . . . 0.74 110.297 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.98 27.01 11.5 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.844 -0.693 . . . . 0.93 113.422 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 5.3 p80 -121.63 1.28 10.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.397 0.598 . . . . 0.97 111.758 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 81.4 m-70 67.66 -54.1 0.49 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.466 1.654 . . . . 1.56 115.466 168.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.513 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 3.5 t -91.73 144.94 30.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.17 -1.012 . . . . 1.82 112.102 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -84.67 -1.62 9.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 124.979 3.786 . . . . 0.51 111.67 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.2 -11.54 59.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.365 -0.834 . . . . 1.54 111.603 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.0 t -118.45 21.68 12.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 0.63 110.538 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.656 HD12 HG23 ' A' 2071 ' ' THR . 23.2 mm -96.13 106.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.25 110.389 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 17.9 m -83.11 112.7 40.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.251 -0.432 . . . . 0.28 110.133 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.58 -27.63 53.46 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 122.593 2.195 . . . . 0.15 112.499 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.09 53.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.481 -0.781 . . . . 0.14 111.2 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.433 ' O ' HG22 ' A' 2124 ' ' THR . 35.4 m -78.48 146.68 34.28 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.546 0.689 . . . . 0.16 109.362 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.43 140.36 34.7 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.968 -1.015 . . . . 0.15 109.419 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.523 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.8 m-85 -46.71 -34.71 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.82 -1.082 . . . . 0.12 112.217 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.59 -64.99 0.64 Allowed 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 123.392 0.433 . . . . 1.69 110.755 173.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.61 -24.74 65.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.577 -0.738 . . . . 2.27 111.343 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2089 ' ' PHE . 85.7 mt -76.32 -14.72 60.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.24 111.903 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.57 11.7 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.21 -0.995 . . . . 0.2 113.825 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2119 ' ' ILE . 2.8 mm -63.78 130.87 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.763 0.653 . . . . 0.32 112.763 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -107.81 175.61 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.919 -0.771 . . . . 1.86 108.919 170.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 14.8 m -60.87 -32.54 71.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.055 0.455 . . . . 1.32 111.223 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' 2101 ' ' GLU . 59.6 mt -70.1 -52.56 22.76 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.917 -0.583 . . . . 1.61 110.11 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.75 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.49 -26.59 63.68 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.631 -0.713 . . . . 0.19 112.619 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.37 -23.64 65.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.025 0.917 . . . . 0.24 109.262 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.619 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.08 -35.95 15.16 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.56 -1.2 . . . . 1.15 109.305 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' 2098 ' ' THR . 25.2 mt-10 -66.01 -38.76 89.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.547 . . . . 0.46 110.782 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' 2071 ' ' THR . 6.3 mt -54.69 -64.82 0.71 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.229 -0.441 . . . . 1.13 111.358 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -49.9 -36.33 26.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.169 -0.923 . . . . 2.11 110.684 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' 2103 ' ' ARG . 18.8 m-20 -60.38 -46.3 90.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.4 111.069 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -72.44 -42.91 64.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 0.33 110.824 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 2102 ' ' LEU . 85.9 mt -67.14 -52.16 45.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 1.47 111.674 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.3 t -65.04 -27.62 68.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.083 0.468 . . . . 0.67 110.106 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -64.66 -55.87 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 1.29 110.405 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.42 -43.68 96.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.79 -1.096 . . . . 0.4 112.597 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.592 ' HA ' ' HB2' ' A' 2049 ' ' MET . 46.7 p -75.3 -22.1 57.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.723 0.773 . . . . 0.33 109.79 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.97 3.72 88.23 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.889 -1.051 . . . . 0.36 111.509 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.919 HD21 HD23 ' A' 2136 ' ' LEU . 12.1 mt -83.36 -173.74 4.88 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 114.702 -0.749 . . . . 0.47 111.181 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.01 119.37 27.49 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.164 -1.38 . . . . 0.43 108.872 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2118 ' ' LEU . 63.4 mt -135.44 149.5 69.72 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.765 -1.107 . . . . 1.25 111.275 -170.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.87 158.62 27.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.505 2.803 . . . . 0.33 111.96 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.478 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.9 Cg_endo -77.16 3.49 6.64 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.208 1.939 . . . . 0.46 111.401 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 -0.38 42.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.652 -0.704 . . . . 0.36 111.678 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.419 HD11 HD13 ' A' 2114 ' ' LEU . 18.4 mt -39.28 -63.34 0.56 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.669 0.747 . . . . 0.79 112.689 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2094 ' ' ILE . 8.3 mm -57.35 -24.91 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.6 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -90.17 -29.16 18.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.401 0.619 . . . . 0.38 111.222 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.64 -35.58 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.269 -0.878 . . . . 1.34 111.028 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -137.11 77.64 42.17 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.038 -1.097 . . . . 0.43 108.038 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.747 ' O ' HG23 ' A' 2124 ' ' THR . 12.2 Cg_endo -90.88 103.4 0.27 Allowed 'Trans proline' 0 N--CA 1.437 -1.811 0 C-N-CA 121.894 1.73 . . . . 0.25 112.393 -170.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.747 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.86 155.45 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 127.739 2.416 . . . . 0.13 104.842 160.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.5 Cg_exo -55.33 -37.68 94.4 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 CA-C-N 121.359 1.521 . . . . 0.14 110.164 172.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' 2130 ' ' GLN . 59.6 t60 -65.93 -48.42 71.44 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.597 -0.729 . . . . 0.42 111.732 177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.36 74.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.1 0.409 . . . . 0.13 111.307 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.547 HD11 HD13 ' A' 2119 ' ' ILE . 27.9 mt -71.51 -36.85 71.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.549 -0.296 . . . . 0.14 111.445 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.51 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 87.0 m -58.04 -26.45 62.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.712 0.768 . . . . 0.24 109.549 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' 2126 ' ' HIS . 7.1 mt-30 -80.59 -50.58 9.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.04 -0.982 . . . . 1.66 110.186 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.2 t60 -65.0 -48.17 74.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.941 0.4 . . . . 0.35 111.527 -174.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.429 ' HB2' HD13 ' A' 2063 ' ' LEU . 20.8 mt -64.53 -30.9 71.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.997 -0.547 . . . . 1.13 111.031 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -67.46 -43.07 81.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.814 -0.81 . . . . 0.31 108.814 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 59.6 m -60.69 -31.72 70.96 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.096 -0.956 . . . . 0.36 111.502 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.556 ' CB ' HD13 ' A' 2112 ' ' LEU . 21.1 mmm180 -73.32 -31.79 64.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.733 0.301 . . . . 1.64 111.472 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.919 HD23 HD21 ' A' 2112 ' ' LEU . 95.0 mt -82.31 -43.68 17.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.863 0.363 . . . . 0.97 111.667 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.7 p -82.53 -48.35 11.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.68 111.34 -175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.32 148.48 24.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.271 -0.877 . . . . 1.96 110.069 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 33.7 m -151.58 74.21 1.11 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.533 0.682 . . . . 3.1 109.885 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.5 t-80 . . . . . 0 C--O 1.244 0.805 0 CA-C-N 115.259 -0.882 . . . . 6.9 109.768 -176.799 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.798 -0.521 . . . . 6.15 111.798 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 19.4 m -80.37 66.92 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.154 0.502 . . . . 6.22 111.186 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.5 ' HA ' ' HA3' ' A' 2111 ' ' GLY . 59.1 m-70 -147.49 166.69 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.479 0.657 . . . . 3.33 110.605 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.609 ' C ' ' H ' ' A' 2051 ' ' LEU . 11.4 ttt -79.54 40.25 0.43 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.584 -1.189 . . . . 2.18 111.767 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' 2050 ' ' ARG . 11.2 tpt180 -31.94 5.6 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 127.485 2.314 . . . . 9.04 116.696 174.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 2051 ' ' LEU . 25.8 tp -51.91 39.19 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.291 1.837 . . . . 2.25 113.837 171.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' 2050 ' ' ARG . 7.4 t30 -85.39 150.6 24.61 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.174 -0.954 . . . . 4.07 109.171 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.08 -30.12 8.62 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.168 -0.773 . . . . 1.88 111.168 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.22 143.6 38.87 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.529 -0.545 . . . . 1.6 109.529 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.7 m -61.3 145.49 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 1.18 109.732 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.694 ' O ' ' HG3' ' A' 2060 ' ' GLN . 6.7 Cg_exo -38.4 -52.35 1.97 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.711 2.94 . . . . 0.86 113.73 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.89 -40.74 97.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.061 0.226 . . . . 1.95 111.191 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -56.08 -47.95 77.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.52 -0.548 . . . . 1.6 109.52 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.3 mt-30 -59.58 -43.81 93.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.487 -0.779 . . . . 1.5 110.659 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.694 ' HG3' ' O ' ' A' 2056 ' ' PRO . 43.1 mt-30 -58.82 -57.79 11.48 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.473 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.1 mt-30 -55.23 -35.9 65.42 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 123.346 0.404 . . . . 1.32 111.394 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.6 m -56.62 -53.8 53.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.791 -0.64 . . . . 0.77 111.188 173.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.2 -17.91 53.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.001 0.905 . . . . 1.32 109.572 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.76 -46.29 72.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.024 -1.444 . . . . 0.51 108.345 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.5 m -64.59 -36.28 83.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.054 -1.43 . . . . 0.41 110.457 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -59.16 -58.11 10.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.054 -0.721 . . . . 1.35 109.054 177.146 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.504 ' HA ' HD21 ' A' 2106 ' ' LEU . 53.0 t -55.32 -45.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.063 -0.971 . . . . 0.22 110.977 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.71 -46.11 83.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.206 -0.906 . . . . 0.17 111.196 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -61.95 -33.34 74.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.241 0.543 . . . . 0.23 110.719 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.22 92.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.273 -0.876 . . . . 0.24 110.46 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.734 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -88.39 -24.75 22.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.998 -0.681 . . . . 0.28 110.925 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.14 47.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.059 -0.719 . . . . 0.31 109.059 165.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.6 m -72.56 -50.92 22.3 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.879 -1.055 . . . . 0.46 110.962 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.818 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -57.66 -42.82 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 113.273 0.842 . . . . 0.56 113.273 -175.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.1 mt -77.49 -15.41 59.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.317 0.579 . . . . 0.74 110.307 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 83.8 35.56 15.82 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.484 -0.78 . . . . 0.93 112.939 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 25.1 p80 -120.68 -14.52 8.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.12 -0.632 . . . . 0.97 112.053 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 65.37 161.33 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.918 -0.583 . . . . 1.56 112.5 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.0 t 43.6 138.68 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 126.369 1.868 . . . . 1.82 115.186 -170.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 1.9 Cg_endo -83.21 -2.42 10.67 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 124.837 3.692 . . . . 0.51 111.91 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.51 -7.95 47.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.409 -0.814 . . . . 1.54 111.248 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.1 t -117.04 14.07 14.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.979 -0.555 . . . . 0.63 110.254 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.612 HD12 HG23 ' A' 2071 ' ' THR . 29.2 mm -89.68 120.05 37.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.056 -0.52 . . . . 0.25 110.568 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 9.3 m -89.53 109.4 31.49 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.985 -0.552 . . . . 0.28 110.206 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 21.6 Cg_endo -66.13 -26.99 49.62 Favored 'Trans proline' 0 CA--C 1.513 -0.558 0 C-N-CA 122.551 2.167 . . . . 0.15 112.491 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.69 52.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.541 -0.754 . . . . 0.14 111.38 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 47.5 m -75.67 145.99 40.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.322 0.582 . . . . 0.16 109.488 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.42 144.17 30.67 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.065 -0.97 . . . . 0.15 109.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.556 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.7 m-85 -48.82 -38.83 23.27 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 123.845 0.716 . . . . 0.12 111.917 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.14 -65.33 0.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.111 -0.495 . . . . 1.69 110.948 172.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.91 -23.67 65.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.491 -0.777 . . . . 2.27 111.544 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' 2089 ' ' PHE . 89.8 mt -76.03 -21.19 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.343 -0.39 . . . . 0.24 111.915 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.49 11.43 6.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.289 -0.958 . . . . 0.2 113.583 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2119 ' ' ILE . 2.0 mm -70.63 130.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.65 177.41 4.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.845 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 19.4 m -64.76 -38.0 89.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.103 0.411 . . . . 1.32 110.489 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.8 tp -60.59 -54.65 42.85 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 123.44 0.696 . . . . 1.61 110.737 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.818 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -71.25 -26.8 63.06 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 112.85 0.685 . . . . 0.19 112.85 -179.284 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.83 -23.35 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.819 0.818 . . . . 0.24 109.276 170.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.36 -37.48 14.84 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.863 -1.062 . . . . 1.15 108.825 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' 2097 ' ' LEU . 28.8 mt-10 -65.1 -37.77 88.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.095 -0.502 . . . . 0.46 110.835 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.4 mt -56.36 -60.0 4.15 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.12 0.486 . . . . 1.13 110.223 171.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.5 OUTLIER -47.72 -45.56 28.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.598 -1.183 . . . . 2.11 110.948 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -53.69 -53.29 54.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.4 111.174 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.3 m -67.69 -43.64 79.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 0.33 111.338 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2102 ' ' LEU . 74.5 mt -67.33 -48.47 67.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 1.47 111.605 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.52 -28.19 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.102 0.477 . . . . 0.67 110.017 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.88 -51.54 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 1.29 110.399 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.61 -39.54 94.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.217 -0.901 . . . . 0.4 112.24 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.583 ' HA ' ' HB2' ' A' 2049 ' ' MET . 43.0 p -78.33 -26.28 46.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.652 0.739 . . . . 0.33 109.64 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2111 ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' 2048 ' ' HIS . . . 84.08 8.71 83.5 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.928 -1.033 . . . . 0.36 112.211 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.825 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -101.48 -160.38 0.79 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.13 0.491 . . . . 0.47 109.728 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -135.69 121.89 20.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.358 -0.837 . . . . 0.43 110.009 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.93 157.76 76.99 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 114.643 -1.162 . . . . 1.25 111.21 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.61 ' O ' ' HG ' ' A' 2118 ' ' LEU . 79.3 Cg_endo -79.52 153.95 23.87 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.264 2.642 . . . . 0.33 111.696 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.01 2.92 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.083 1.856 . . . . 0.46 111.352 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 18.6 p -96.6 -1.09 47.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.815 -0.629 . . . . 0.36 111.889 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' 2115 ' ' PRO . 87.2 mt -38.33 -59.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.712 0.768 . . . . 0.79 111.79 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2094 ' ' ILE . 8.0 mm -57.31 -25.7 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 113.778 -1.556 . . . . 0.28 111.681 -175.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -90.9 -34.69 15.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.07 0.462 . . . . 0.38 111.48 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.95 -29.97 26.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.34 110.878 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -136.52 75.42 51.2 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.11 -1.071 . . . . 0.43 108.11 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' 2124 ' ' THR . 34.0 Cg_endo -91.95 103.31 0.22 Allowed 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 121.71 1.606 . . . . 0.25 112.37 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.724 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.6 155.96 0.13 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 127.743 2.417 . . . . 0.13 105.027 160.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.452 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 38.2 Cg_exo -55.34 -37.48 94.57 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 121.268 1.489 . . . . 0.14 110.337 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 75.0 t60 -69.46 -43.08 73.99 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.42 112.052 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.0 73.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.154 0.502 . . . . 0.13 110.501 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2119 ' ' ILE . 45.5 mt -74.8 -27.29 60.25 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.952 -0.567 . . . . 0.14 111.544 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 32.2 m -61.58 -30.64 70.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.704 0.764 . . . . 0.24 109.035 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -80.78 -43.34 20.27 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.266 -0.879 . . . . 1.66 110.18 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.0 t60 -66.46 -52.59 44.65 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.114 -0.494 . . . . 0.35 111.477 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.4 mm? -63.05 -31.97 73.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.199 -0.2 . . . . 1.13 111.28 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -68.39 -44.32 75.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.162 -0.681 . . . . 0.31 109.162 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.8 m -57.32 -51.76 68.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.594 -0.73 . . . . 0.36 110.327 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.681 ' HB3' HD13 ' A' 2112 ' ' LEU . 20.3 mmm180 -50.61 -48.65 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 1.64 112.584 -176.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.825 HD23 HD21 ' A' 2112 ' ' LEU . 78.4 mt -68.7 -37.01 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.076 0.399 . . . . 0.97 112.076 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.5 p -79.87 -17.68 52.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 0.68 111.133 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -87.19 129.38 34.98 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.768 -0.651 . . . . 1.96 110.6 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 119.7 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 3.1 111.074 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.488 -0.768 . . . . 6.9 109.646 179.762 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 112.392 -0.283 . . . . 6.15 112.392 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 66.0 m -81.98 65.11 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.148 0.499 . . . . 6.22 111.081 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 36.8 m80 -125.68 88.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.15 -0.685 . . . . 3.33 109.15 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.59 ' HB2' ' HA ' ' A' 2110 ' ' THR . 48.8 ttp -28.87 -78.75 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.135 1.532 . . . . 2.18 115.135 -167.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.591 ' H ' HD22 ' A' 2051 ' ' LEU . 6.0 mtt180 -106.62 1.11 24.94 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.208 -0.905 . . . . 9.04 110.679 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' 2059 ' ' GLN . 2.4 mm? -100.76 38.89 1.45 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.666 -0.697 . . . . 2.25 112.785 -160.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 41.2 t30 -91.12 107.65 19.34 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.575 -0.45 . . . . 4.07 110.418 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.38 81.92 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.881 -0.676 . . . . 1.88 113.729 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.98 141.02 37.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.457 0.629 . . . . 1.6 110.793 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' 2056 ' ' PRO . 69.6 m -73.55 159.96 83.4 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.522 -0.763 . . . . 1.18 110.596 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.697 ' O ' ' HG3' ' A' 2060 ' ' GLN . 23.9 Cg_exo -38.8 -58.05 0.82 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 124.144 3.229 . . . . 0.86 115.079 -174.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -64.03 -37.64 88.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.432 0.16 . . . . 1.95 111.432 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -60.18 -46.18 90.6 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.079 0.466 . . . . 1.6 109.901 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.604 ' HA ' HD12 ' A' 2051 ' ' LEU . 54.1 mt-30 -59.25 -41.1 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.319 -0.855 . . . . 1.5 110.535 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' 2056 ' ' PRO . 64.8 mt-30 -59.79 -61.6 2.49 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.037 -0.529 . . . . 0.95 110.884 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 77.5 mt-30 -53.0 -35.71 59.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.335 0.397 . . . . 1.32 111.76 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' 2059 ' ' GLN . 82.4 m -52.3 -54.01 36.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.7 -0.682 . . . . 0.77 111.197 172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.416 HD21 HD11 ' A' 2136 ' ' LEU . 12.2 mt -78.05 -24.57 47.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.622 0.725 . . . . 1.32 109.426 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.252 -1.34 . . . . 0.51 108.707 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 84.9 m -77.0 -37.34 55.27 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.975 -1.466 . . . . 0.41 110.82 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -57.74 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.579 0.704 . . . . 1.35 109.504 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' 2125 ' ' PRO . 68.6 t -56.11 -43.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.662 -1.154 . . . . 0.22 110.984 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -66.07 -46.33 78.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.051 -0.977 . . . . 0.17 110.997 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.466 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.76 -33.49 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.23 110.654 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.22 88.68 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.098 -0.955 . . . . 0.24 110.649 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -86.9 -22.74 25.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.825 -0.75 . . . . 0.28 110.441 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.8 -43.21 65.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.267 -0.642 . . . . 0.31 109.267 167.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.9 m -77.91 -46.95 19.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.359 -0.837 . . . . 0.46 111.162 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.699 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -58.39 -43.19 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 112.824 0.676 . . . . 0.56 112.824 -177.036 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.3 mt -75.58 -32.96 60.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.352 -0.61 . . . . 0.74 109.352 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 100.91 15.41 28.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.93 112.775 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.537 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.5 p80 -95.17 -17.67 21.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.405 . . . . 0.97 110.919 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 69.57 159.36 0.18 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.127 -0.942 . . . . 1.56 112.67 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.4 t 46.59 141.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 126.614 1.966 . . . . 1.82 115.272 -172.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.466 ' HB3' ' N ' ' A' 2069 ' ' ALA . 1.3 Cg_endo -85.33 1.72 8.17 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 124.75 3.633 . . . . 0.51 111.834 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.439 ' HG2' HG23 ' A' 2079 ' ' THR . 9.8 pt-20 -67.34 -18.22 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.605 -0.725 . . . . 1.54 111.078 -176.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.3 t -114.2 20.11 15.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.117 0.484 . . . . 0.63 110.53 -174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.573 HD12 HG23 ' A' 2071 ' ' THR . 18.7 mm -95.27 123.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.3 -0.409 . . . . 0.25 110.668 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 16.4 m -91.42 109.01 33.16 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 0.28 110.23 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.2 Cg_endo -65.62 -27.91 52.95 Favored 'Trans proline' 0 CA--C 1.513 -0.557 0 C-N-CA 122.507 2.138 . . . . 0.15 112.529 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.21 56.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.817 -0.629 . . . . 0.14 111.296 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.443 ' O ' HG22 ' A' 2124 ' ' THR . 57.2 m -76.82 146.48 37.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.58 0.705 . . . . 0.16 109.621 176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.499 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.74 143.33 30.95 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.765 -1.107 . . . . 0.15 109.94 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.51 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 38.5 m-85 -47.71 -39.95 18.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.613 -0.721 . . . . 0.12 112.182 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -48.55 -61.58 1.95 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.784 -0.644 . . . . 1.69 110.82 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.18 -18.71 63.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.899 -1.046 . . . . 2.27 111.975 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' 2089 ' ' PHE . 95.8 mt -83.5 -16.66 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.257 -0.428 . . . . 0.24 112.011 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.53 8.04 11.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.292 -0.956 . . . . 0.2 113.139 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -72.28 127.0 33.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.276 0.473 . . . . 0.32 112.276 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -99.95 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 1.86 109.398 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.1 m -68.23 -30.71 69.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.166 0.439 . . . . 1.32 111.065 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' 2101 ' ' GLU . 58.2 mt -71.22 -54.66 10.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.315 0.579 . . . . 1.61 109.677 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.699 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -67.83 -25.84 65.76 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.441 -0.799 . . . . 0.19 112.777 -179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.44 -25.69 64.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.896 0.855 . . . . 0.24 109.719 170.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -36.07 14.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.865 -1.061 . . . . 1.15 109.011 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.4 mt-10 -67.77 -34.53 76.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.744 -0.662 . . . . 0.46 111.505 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 2102 ' ' LEU . 9.9 mt -56.51 -60.57 3.34 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.422 0.63 . . . . 1.13 109.976 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.8 OUTLIER -49.11 -40.36 31.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.197 -1.365 . . . . 2.11 111.064 175.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 2101 ' ' GLU . 85.0 m-20 -53.66 -54.7 34.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.361 -0.381 . . . . 0.4 110.695 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -39.26 82.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.33 111.103 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' 2102 ' ' LEU . 5.0 mp -60.55 -56.6 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 1.47 112.172 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.3 t -68.52 -28.19 66.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 0.67 110.309 -175.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.99 -46.6 64.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.247 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.57 -51.34 63.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.005 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.59 ' HA ' ' HB2' ' A' 2049 ' ' MET . 31.9 p -71.49 -31.32 66.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.33 109.891 -171.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.92 7.54 61.17 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 114.791 -1.095 . . . . 0.36 111.727 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' 2136 ' ' LEU . 0.1 OUTLIER -99.8 -158.27 0.66 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.118 -0.541 . . . . 0.47 110.024 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -136.43 124.82 23.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.048 -0.978 . . . . 0.43 110.017 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 68.5 mt -133.73 153.57 80.15 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.168 -0.924 . . . . 1.25 111.617 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.573 ' O ' ' HG ' ' A' 2118 ' ' LEU . 43.6 Cg_endo -84.91 153.19 11.3 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 123.548 2.832 . . . . 0.33 112.0 176.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.2 -2.47 12.11 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.223 1.948 . . . . 0.46 111.451 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.5 p -91.96 0.2 57.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.36 111.523 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.5 mt -38.82 -65.46 0.36 Allowed 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 112.657 0.614 . . . . 0.79 112.657 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2094 ' ' ILE . 8.8 mm -55.54 -26.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.57 -1.195 . . . . 0.28 111.728 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -85.35 -29.48 24.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.38 111.532 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.56 -30.1 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 1.34 110.828 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -138.95 76.97 32.82 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.558 -0.746 . . . . 0.43 109.175 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' 2124 ' ' THR . 18.0 Cg_endo -92.51 103.13 0.19 Allowed 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.007 1.805 . . . . 0.25 112.333 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.752 HG23 ' O ' ' A' 2123 ' ' PRO . 2.8 p 168.33 154.59 0.14 Allowed Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 127.598 2.359 . . . . 0.13 105.214 161.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.57 ' HA ' HG11 ' A' 2067 ' ' VAL . 41.3 Cg_exo -55.81 -37.32 95.86 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 CA-C-N 121.135 1.441 . . . . 0.14 110.267 172.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.579 ' O ' ' HG3' ' A' 2130 ' ' GLN . 46.4 t60 -65.18 -48.14 74.48 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.435 -0.802 . . . . 0.42 111.57 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.65 70.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.933 0.396 . . . . 0.13 111.324 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.513 HD11 HD13 ' A' 2119 ' ' ILE . 46.0 mt -74.53 -32.13 62.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.365 -0.38 . . . . 0.14 111.506 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.3 m -59.28 -29.07 67.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 0.24 109.208 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -79.32 -48.05 14.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.007 -0.997 . . . . 1.66 109.649 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.6 t60 -60.81 -51.56 68.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.834 -0.621 . . . . 0.35 111.31 -176.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2128 ' ' LEU . 27.0 mt -63.4 -32.08 73.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.04 -0.527 . . . . 1.13 111.178 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -69.54 -39.47 77.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.114 -0.698 . . . . 0.31 109.114 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 98.6 m -61.97 -42.84 99.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.666 -0.697 . . . . 0.36 110.503 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' 2131 ' ' HIS . 20.2 mmm180 -59.39 -50.76 72.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.799 0.333 . . . . 1.64 111.611 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.602 ' CD2' HD21 ' A' 2112 ' ' LEU . 31.9 mt -64.62 -25.18 67.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.675 0.62 . . . . 0.97 112.675 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 57.7 p -98.81 -16.74 18.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.029 0.442 . . . . 0.68 111.551 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.0 161.98 14.07 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.856 -0.611 . . . . 1.96 110.599 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 13.5 p -87.93 90.39 8.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.075 0.465 . . . . 3.1 111.038 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.749 -0.643 . . . . 6.9 110.145 176.248 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.014 -0.434 . . . . 6.15 112.014 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 36.2 t -134.38 136.33 43.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.872 0.367 . . . . 6.22 110.089 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -91.69 157.43 16.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.009 -0.541 . . . . 3.33 110.559 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.599 ' C ' ' H ' ' A' 2051 ' ' LEU . 12.1 mtt -85.1 30.03 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.336 0.589 . . . . 2.18 110.849 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' 2052 ' ' ASN . 6.7 ttt180 -59.35 6.03 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.689 1.196 . . . . 9.04 112.611 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.599 ' H ' ' C ' ' A' 2049 ' ' MET . 25.3 mt -26.78 45.39 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.303 3.041 . . . . 2.25 118.792 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' 2050 ' ' ARG . 4.1 p-10 -55.78 146.32 21.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.999 0.818 . . . . 4.07 110.122 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.27 -25.63 15.4 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.372 -1.091 . . . . 1.88 110.372 -171.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.28 148.15 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.632 . . . . 1.6 109.295 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.9 t -68.73 141.0 92.19 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.485 -0.932 . . . . 1.18 108.485 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.626 ' O ' ' HG3' ' A' 2060 ' ' GLN . 63.6 Cg_exo -38.46 -47.11 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.439 2.759 . . . . 0.86 113.553 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.74 -35.68 78.81 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 123.169 0.293 . . . . 1.95 111.284 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -65.22 -42.3 93.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.944 0.402 . . . . 1.6 110.021 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.742 ' O ' ' HB ' ' A' 2062 ' ' THR . 37.0 mt-30 -63.83 -39.01 93.21 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.175 -0.466 . . . . 1.5 109.765 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' 2056 ' ' PRO . 68.8 mt-30 -56.68 -53.12 61.37 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.95 -0.389 . . . . 0.95 109.95 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.711 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 78.2 mt-30 -51.86 -31.75 29.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 1.32 111.463 176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.742 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.7 m -56.18 -57.27 12.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.553 -0.749 . . . . 0.77 111.143 173.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' 2059 ' ' GLN . 1.4 mm? -65.51 -36.88 85.16 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.123 0.963 . . . . 1.32 109.162 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -59.06 -32.49 69.81 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 113.512 -1.676 . . . . 0.51 110.291 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 41.1 m -89.58 -43.72 10.58 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.256 -1.338 . . . . 0.41 110.532 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.544 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.4 tp -56.4 -60.04 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 1.35 110.836 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.462 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 62.6 t -54.47 -42.32 58.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.224 -1.353 . . . . 0.22 111.271 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.18 64.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.806 -0.634 . . . . 0.17 111.228 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.433 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -64.04 -27.85 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.307 0.575 . . . . 0.23 110.33 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.56 -47.18 79.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.384 -0.825 . . . . 0.24 110.125 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.796 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.2 t -86.24 -24.83 25.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.856 -0.738 . . . . 0.28 110.442 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.02 -51.56 30.21 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 165.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -62.73 -51.29 67.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.149 -0.932 . . . . 0.46 111.197 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.832 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.73 -42.0 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 113.566 0.95 . . . . 0.56 113.566 -175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' 2071 ' ' THR . 17.4 mt -76.83 -28.47 55.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.939 -0.476 . . . . 0.74 110.715 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.21 13.17 13.82 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.644 -0.789 . . . . 0.93 112.56 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 15.6 p80 -122.37 96.04 4.88 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.993 -0.743 . . . . 0.97 108.993 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -49.43 -35.59 19.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.158 1.54 . . . . 1.56 115.158 -162.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.5 t -88.45 145.21 35.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 118.655 -1.218 . . . . 1.82 112.371 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -85.37 -2.36 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 125.116 3.877 . . . . 0.51 112.014 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.19 -18.62 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 1.54 110.71 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 45.4 t -106.58 19.74 20.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.87 -0.605 . . . . 0.63 110.096 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.671 HD12 HG23 ' A' 2071 ' ' THR . 19.6 mm -98.4 112.58 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.137 -0.483 . . . . 0.25 110.408 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 38.4 m -82.94 113.1 43.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.278 -0.419 . . . . 0.28 110.157 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.508 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.8 Cg_endo -65.67 -28.5 52.29 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 122.454 2.102 . . . . 0.15 112.558 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.87 -30.46 45.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.14 111.491 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.493 ' O ' HG22 ' A' 2124 ' ' THR . 41.3 m -74.87 145.61 42.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.147 -0.686 . . . . 0.16 109.147 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.548 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.01 145.62 29.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.192 -0.913 . . . . 0.15 110.05 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 40.6 m-85 -48.98 -38.88 24.49 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.929 0.768 . . . . 0.12 111.936 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -47.59 -61.4 1.95 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.972 -0.558 . . . . 1.69 111.0 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.0 -17.15 64.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.526 -0.761 . . . . 2.27 111.804 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.35 -14.83 48.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.24 111.831 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 115.29 12.67 9.6 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.335 -0.936 . . . . 0.2 113.457 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.528 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -75.7 132.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 112.566 0.58 . . . . 0.32 112.566 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -107.97 -178.27 3.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.969 -0.752 . . . . 1.86 108.969 172.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 25.2 m -64.15 -38.02 89.54 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.824 -0.35 . . . . 1.32 111.1 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.4 tp -62.06 -55.46 28.82 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.406 0.682 . . . . 1.61 110.746 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.832 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.77 -25.99 63.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.639 -0.709 . . . . 0.19 112.827 -178.278 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.61 -23.8 64.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.833 0.825 . . . . 0.24 109.496 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.88 -36.59 14.97 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.786 -1.097 . . . . 1.15 108.853 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.5 mt-10 -67.51 -38.15 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.46 111.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' 2106 ' ' LEU . 10.7 mt -56.86 -65.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.002 0.43 . . . . 1.13 111.034 174.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -51.23 -34.39 32.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.89 -1.05 . . . . 2.11 110.55 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -57.71 -53.13 61.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.429 . . . . 0.4 110.606 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.3 m -64.78 -41.32 95.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.879 -0.6 . . . . 0.33 110.646 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' 2102 ' ' LEU . 6.7 mp -63.05 -53.78 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 1.47 111.387 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.525 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 4.8 t -65.21 -28.6 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.195 0.522 . . . . 0.67 110.295 -176.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.42 -45.68 65.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 1.29 110.303 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.62 -39.35 67.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.723 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 41.5 p -80.2 -22.05 42.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.295 0.569 . . . . 0.33 109.587 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 85.29 1.34 88.25 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.114 -0.948 . . . . 0.36 112.032 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.83 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -95.26 -159.22 0.7 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.166 0.507 . . . . 0.47 109.876 -177.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2113 ' ' ASP . . . . . 0.525 ' HA ' ' OG1' ' A' 2107 ' ' THR . 24.6 t70 -140.13 113.72 8.65 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.927 -1.033 . . . . 0.43 110.016 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.519 HD21 HD12 ' A' 2112 ' ' LEU . 2.9 mm? -116.6 151.26 46.89 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 113.808 -1.542 . . . . 1.25 110.557 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' 2118 ' ' LEU . 92.7 Cg_endo -72.03 157.44 54.45 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.411 2.741 . . . . 0.33 111.723 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.9 Cg_endo -75.3 -2.8 13.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.06 1.84 . . . . 0.46 111.281 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -97.5 4.69 50.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.5 -0.773 . . . . 0.36 110.856 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' 2115 ' ' PRO . 14.6 tp -43.69 -58.1 2.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.636 0.775 . . . . 0.79 112.723 177.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.593 HD13 HD11 ' A' 2128 ' ' LEU . 31.6 mm -55.64 -31.05 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.071 -0.968 . . . . 0.28 111.373 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -84.4 -29.97 25.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.891 -0.595 . . . . 0.38 111.439 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.88 -34.06 33.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.671 . . . . 1.34 111.232 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.58 79.77 28.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.345 -0.983 . . . . 0.43 108.345 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' 2124 ' ' THR . 36.1 Cg_endo -91.58 103.14 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.859 1.706 . . . . 0.25 112.642 -169.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.661 HG23 ' O ' ' A' 2123 ' ' PRO . 1.4 p 167.21 157.57 0.12 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.526 2.33 . . . . 0.13 105.419 160.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.432 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.7 Cg_exo -55.88 -38.7 94.2 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 CA-C-N 121.14 1.443 . . . . 0.14 110.163 172.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 76.9 t60 -68.31 -45.19 73.64 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.76 -0.654 . . . . 0.42 111.716 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.59 -36.48 66.96 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.194 0.521 . . . . 0.13 110.867 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.593 HD11 HD13 ' A' 2119 ' ' ILE . 42.3 mt -78.97 -30.97 44.77 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.022 -0.536 . . . . 0.14 111.384 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 51.5 m -57.53 -33.15 67.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.075 -0.713 . . . . 0.24 109.075 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 0.8 OUTLIER -79.41 -49.24 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.226 -0.897 . . . . 1.66 110.228 178.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -61.73 -54.83 37.25 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 111.781 0.289 . . . . 0.35 111.781 -175.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.9 mm? -59.26 -35.58 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.279 -0.168 . . . . 1.13 111.216 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -65.56 -40.12 92.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.566 -0.531 . . . . 0.31 109.566 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.7 m -64.45 -48.04 76.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.553 -0.748 . . . . 0.36 110.264 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.59 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.9 mmm180 -52.45 -48.43 65.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 1.64 111.721 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.83 HD23 HD21 ' A' 2112 ' ' LEU . 72.3 mt -65.66 -26.67 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.566 0.58 . . . . 0.97 112.566 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.5 p -103.84 -20.49 13.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.189 0.44 . . . . 0.68 112.189 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -82.47 144.7 30.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.835 0.35 . . . . 1.96 110.829 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.33 106.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.792 -0.64 . . . . 3.1 111.733 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.469 -0.776 . . . . 6.9 110.256 -179.29 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.916 -0.473 . . . . 6.15 111.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 11.3 t -168.48 45.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 6.22 110.309 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -107.33 172.25 6.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.47 0.653 . . . . 3.33 111.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.521 ' C ' ' H ' ' A' 2051 ' ' LEU . 1.7 ttt -91.65 34.69 0.97 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.792 -1.094 . . . . 2.18 110.656 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' 2052 ' ' ASN . 3.7 ttt180 -46.53 4.96 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 126.397 1.879 . . . . 9.04 116.001 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' 2049 ' ' MET . 19.5 mt -24.36 46.72 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 118.594 2.812 . . . . 2.25 118.594 -168.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' 2050 ' ' ARG . 27.9 p-10 -59.51 142.06 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.915 0.78 . . . . 4.07 110.536 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 107.71 -30.67 8.83 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.314 -0.715 . . . . 1.88 111.314 -176.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 3.0 mm? -92.0 138.76 31.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.994 -0.373 . . . . 1.6 109.994 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.2 m -67.01 153.84 93.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.758 -0.46 . . . . 1.18 109.758 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' 2060 ' ' GLN . 7.0 Cg_exo -38.18 -56.26 1.05 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.879 3.053 . . . . 0.86 113.987 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.8 tp-100 -62.87 -36.2 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.048 0.218 . . . . 1.95 110.922 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.415 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 80.6 mm-40 -61.64 -45.23 94.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.653 -0.499 . . . . 1.6 109.653 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.474 ' O ' ' HB ' ' A' 2062 ' ' THR . 46.9 mt-30 -61.1 -40.2 92.84 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.957 -0.565 . . . . 1.5 110.232 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' 2056 ' ' PRO . 44.5 mt-30 -61.58 -54.86 37.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.202 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 25.7 mt-30 -54.2 -36.85 63.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 1.32 111.459 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.7 m -57.58 -52.69 64.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.76 -0.655 . . . . 0.77 111.246 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -78.71 -19.29 52.76 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.963 0.887 . . . . 1.32 109.567 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.05 -48.59 65.19 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.137 -1.392 . . . . 0.51 108.336 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 93.7 m -63.97 -35.91 82.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 113.978 -1.465 . . . . 0.41 110.506 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -59.68 4.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.894 -0.78 . . . . 1.35 108.894 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' 2063 ' ' LEU . 54.7 t -54.28 -44.9 67.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.795 -1.093 . . . . 0.22 110.92 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -63.48 -51.54 65.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.083 -0.962 . . . . 0.17 111.708 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.65 -29.75 70.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.008 0.432 . . . . 0.23 110.778 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.83 84.03 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.731 -0.668 . . . . 0.24 110.377 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.794 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.7 -24.98 23.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.078 -0.649 . . . . 0.28 110.347 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -45.9 60.26 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.905 -0.776 . . . . 0.31 108.905 166.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.2 m -71.92 -48.55 44.67 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.46 111.186 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.729 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -60.01 -42.62 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.095 0.776 . . . . 0.56 113.095 -176.223 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' 2071 ' ' THR . 9.2 mt -77.61 -27.01 51.07 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.301 0.572 . . . . 0.74 109.793 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 97.86 44.19 2.71 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.344 -0.844 . . . . 0.93 112.932 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.59 -1.47 2.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.243 0.521 . . . . 0.97 112.246 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.522 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.3 m-70 67.5 -38.48 0.35 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.463 1.653 . . . . 1.56 115.463 168.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.5 p -79.09 123.06 85.02 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 113.482 0.919 . . . . 1.82 113.482 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.7 Cg_exo -83.75 -19.71 4.92 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.972 3.115 . . . . 0.51 110.91 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.29 -22.31 57.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.467 -0.788 . . . . 1.54 110.372 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.2 t -94.38 20.43 8.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.63 110.036 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.624 HD12 HG23 ' A' 2071 ' ' THR . 13.4 mm -99.35 119.58 47.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.322 -0.854 . . . . 0.25 109.795 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 6.5 m -85.64 109.1 19.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.28 110.403 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.462 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.9 Cg_endo -65.9 -27.62 50.92 Favored 'Trans proline' 0 CA--C 1.515 -0.472 0 C-N-CA 122.519 2.146 . . . . 0.15 112.564 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -79.5 -29.95 41.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.686 -0.688 . . . . 0.14 111.008 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.482 ' O ' HG22 ' A' 2124 ' ' THR . 40.9 m -74.73 146.73 41.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.409 0.624 . . . . 0.16 109.722 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.59 143.89 29.83 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.007 -0.997 . . . . 0.15 109.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.519 ' HB3' HG13 ' A' 2094 ' ' ILE . 39.8 m-85 -49.59 -37.4 27.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.275 -0.875 . . . . 0.12 111.91 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.54 -64.7 0.7 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.141 -0.481 . . . . 1.69 110.883 172.011 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' 2087 ' ' THR . 8.0 m-20 -56.74 -30.47 63.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 2.27 111.422 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 2089 ' ' PHE . 80.8 mt -75.06 -16.07 60.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.782 -0.644 . . . . 0.24 111.973 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 116.69 8.03 12.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.342 -0.932 . . . . 0.2 113.441 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2119 ' ' ILE . 2.4 mm -69.8 132.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.816 0.673 . . . . 0.32 112.816 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -108.7 178.76 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.14 -0.936 . . . . 1.86 109.016 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 10.4 p -60.68 -43.09 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.137 0.494 . . . . 1.32 110.627 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' 2100 ' ' LEU . 12.8 tp -58.23 -52.63 64.78 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.279 -0.873 . . . . 1.61 111.366 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.729 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.33 -26.06 60.88 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 112.958 0.725 . . . . 0.19 112.958 -179.593 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.597 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.86 -21.56 63.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 0.24 109.325 171.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.1 OUTLIER -85.53 -48.48 8.9 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.347 -1.297 . . . . 1.15 108.469 177.616 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.569 ' N ' HD13 ' A' 2100 ' ' LEU . 22.9 mt-10 -56.98 -39.35 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.46 111.974 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' 2071 ' ' THR . 6.9 mt -56.81 -64.09 0.99 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.144 0.497 . . . . 1.13 110.707 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.0 OUTLIER -48.55 -38.46 20.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.693 -1.14 . . . . 2.11 111.242 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -59.52 -38.94 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.309 . . . . 0.4 111.418 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.54 -39.16 28.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.155 0.503 . . . . 0.33 110.548 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' 2102 ' ' LEU . 6.2 mp -63.35 -56.05 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.539 -0.755 . . . . 1.47 111.423 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -64.36 -27.81 69.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.055 0.455 . . . . 0.67 110.115 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.5 t60 -67.98 -49.9 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.773 -0.649 . . . . 1.29 110.312 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.14 -42.57 84.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.011 -0.995 . . . . 0.4 112.502 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' 2049 ' ' MET . 41.5 p -78.66 -23.62 45.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.505 0.669 . . . . 0.33 109.777 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.58 7.65 85.88 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.999 -1.0 . . . . 0.36 112.099 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.796 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -97.31 -159.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.508 . . . . 0.47 109.761 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.96 121.51 14.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.16 -0.927 . . . . 0.43 109.36 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.417 HD13 HD11 ' A' 2118 ' ' LEU . 58.5 mt -133.67 161.01 66.31 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 114.966 -1.015 . . . . 1.25 111.359 -167.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' 2118 ' ' LEU . 62.7 Cg_endo -83.76 151.9 13.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.165 2.576 . . . . 0.33 111.899 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.98 -4.42 15.1 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.225 1.95 . . . . 0.46 111.5 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.9 p -93.21 1.97 56.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.36 111.728 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' 2115 ' ' PRO . 48.1 mt -41.22 -57.83 1.98 Allowed 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.959 0.885 . . . . 0.79 111.442 171.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2094 ' ' ILE . 9.5 mm -54.75 -27.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 113.163 -1.835 . . . . 0.28 111.495 -176.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -91.36 -33.56 15.23 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.002 -0.545 . . . . 0.38 111.664 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.89 -37.29 40.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.693 0.759 . . . . 1.34 110.743 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -132.71 77.93 67.92 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.992 -1.114 . . . . 0.43 107.992 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.746 ' O ' HG23 ' A' 2124 ' ' THR . 38.9 Cg_endo -91.14 103.23 0.26 Allowed 'Trans proline' 0 N--CA 1.436 -1.858 0 C-N-CA 121.575 1.517 . . . . 0.25 112.607 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.746 HG23 ' O ' ' A' 2123 ' ' PRO . 5.2 p 167.78 158.31 0.14 Allowed Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 128.181 2.592 . . . . 0.13 104.789 159.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.45 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 36.3 Cg_exo -55.45 -37.6 94.71 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 CA-C-N 121.31 1.504 . . . . 0.14 110.367 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.457 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 76.6 t60 -71.09 -40.31 71.62 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.858 -0.61 . . . . 0.42 111.957 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.37 77.79 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.249 0.547 . . . . 0.13 110.496 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.57 HD11 HD13 ' A' 2119 ' ' ILE . 44.3 mt -75.81 -29.04 58.56 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.078 -0.51 . . . . 0.14 111.291 176.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.478 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.1 m -60.4 -28.84 68.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.815 -0.809 . . . . 0.24 108.815 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -80.49 -48.55 12.64 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.102 -0.954 . . . . 1.66 110.296 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.402 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.5 t60 -60.99 -52.09 66.5 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.537 -0.301 . . . . 0.35 111.417 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.7 mm? -62.28 -33.48 74.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.128 -0.229 . . . . 1.13 111.442 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -70.44 -37.08 74.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.48 -0.563 . . . . 0.31 109.48 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 35.0 m -65.97 -44.84 83.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.819 -0.628 . . . . 0.36 110.802 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.71 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -57.22 -47.53 81.09 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.972 0.36 . . . . 1.64 111.972 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.796 HD23 HD21 ' A' 2112 ' ' LEU . 90.0 mt -70.53 -45.96 64.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.502 0.556 . . . . 0.97 112.502 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.1 p -81.75 -46.93 13.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.088 0.47 . . . . 0.68 111.464 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.1 116.4 28.67 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.32 -0.855 . . . . 1.96 109.604 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 11.8 m -95.82 140.0 31.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.559 -0.746 . . . . 3.1 111.153 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 69.6 m80 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.446 -0.788 . . . . 6.9 109.592 175.68 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.093 -0.403 . . . . 6.15 112.093 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 3.4 p -89.45 -21.09 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.791 0.329 . . . . 6.22 111.057 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.423 ' C ' ' H ' ' A' 2050 ' ' ARG . 37.2 m-70 -70.92 164.33 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.27 0.557 . . . . 3.33 110.787 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.617 ' C ' ' H ' ' A' 2051 ' ' LEU . 7.3 ttt -78.91 37.57 0.31 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.254 -0.885 . . . . 2.18 111.587 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' 2048 ' ' HIS . 8.8 mtt180 -38.83 8.29 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 126.545 1.938 . . . . 9.04 116.177 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' 2051 ' ' LEU . 26.5 tp -48.82 39.9 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.737 2.015 . . . . 2.25 114.286 172.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -80.59 154.21 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.108 -0.995 . . . . 4.07 109.755 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.2 -30.69 8.05 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.056 -0.818 . . . . 1.88 111.056 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' 2054 ' ' LEU . 3.3 mm? -78.71 144.57 35.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.006 -0.738 . . . . 1.6 109.006 172.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 14.8 m -64.77 150.68 94.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.541 -0.54 . . . . 1.18 109.541 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.71 ' O ' ' HG3' ' A' 2060 ' ' GLN . 44.8 Cg_exo -40.89 -52.35 3.34 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.586 2.857 . . . . 0.86 113.913 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.9 tp-100 -63.52 -38.35 90.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.819 -0.173 . . . . 1.95 111.417 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -61.48 -43.55 98.66 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.635 -0.505 . . . . 1.6 109.635 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.452 ' O ' ' HB ' ' A' 2062 ' ' THR . 52.9 mt-30 -63.77 -41.08 98.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.555 -0.748 . . . . 1.5 110.244 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -60.26 -59.24 5.72 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.342 -0.39 . . . . 0.95 110.379 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.514 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 93.0 mt-30 -52.96 -35.87 59.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.341 0.4 . . . . 1.32 111.508 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' 2059 ' ' GLN . 90.1 m -56.34 -54.41 45.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.825 -0.625 . . . . 0.77 111.305 172.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -79.07 -19.34 51.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.911 0.862 . . . . 1.32 109.704 -175.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.13 -51.18 49.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.118 -1.401 . . . . 0.51 108.463 175.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.7 m -61.88 -33.88 75.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.828 -1.533 . . . . 0.41 110.522 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.476 HD11 ' CB ' ' A' 2109 ' ' ASN . 0.0 OUTLIER -59.98 -59.25 5.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.909 -0.774 . . . . 1.35 108.909 175.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.466 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -54.29 -43.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 0.22 110.783 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.577 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.93 70.21 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.81 -1.086 . . . . 0.17 111.4 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.504 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -59.97 -32.92 71.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.971 0.415 . . . . 0.23 110.76 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.46 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -61.54 -46.81 88.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.409 -0.814 . . . . 0.24 110.467 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.745 ' O ' ' HG ' ' A' 2075 ' ' LEU . 11.8 t -88.55 -24.17 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 119.843 -0.743 . . . . 0.28 110.916 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -53.91 -45.15 71.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.644 -0.873 . . . . 0.31 108.644 167.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 76.1 m -71.85 -48.41 46.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.419 -0.809 . . . . 0.46 111.074 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.7 OUTLIER -59.94 -42.27 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.26 0.837 . . . . 0.56 113.26 -175.064 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.9 mt -82.43 -12.36 57.91 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.087 0.47 . . . . 0.74 110.069 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.72 18.08 76.1 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.93 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.2 p80 -100.55 -14.39 18.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 0.97 110.911 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.465 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.2 m-70 63.04 -176.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.28 -0.873 . . . . 1.56 111.68 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 23.0 p 53.21 115.47 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 114.514 1.301 . . . . 1.82 114.514 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.504 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.3 Cg_exo -80.86 -12.51 12.07 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 124.455 3.437 . . . . 0.51 111.193 174.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.06 -21.68 33.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.163 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.6 t -90.8 21.99 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.63 109.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.577 HG13 ' HB1' ' A' 2068 ' ' ALA . 11.6 mm -103.26 118.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.25 110.091 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 23.6 m -85.49 111.94 40.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.625 -0.261 . . . . 0.28 110.428 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 31.7 Cg_endo -68.04 -26.12 37.39 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.573 2.182 . . . . 0.15 112.563 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.34 -30.84 48.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.723 -0.671 . . . . 0.14 111.416 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.492 ' O ' HG22 ' A' 2124 ' ' THR . 26.0 m -73.31 146.86 44.99 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.373 -0.602 . . . . 0.16 109.373 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.37 142.43 31.03 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 115.215 -0.902 . . . . 0.15 109.793 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.487 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.9 m-85 -46.88 -41.75 16.32 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 123.526 0.516 . . . . 0.12 112.17 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -49.51 -60.66 2.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.318 -0.401 . . . . 1.69 111.374 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.404 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.1 t70 -57.77 -31.87 66.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 2.27 110.963 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.6 mt -70.59 -19.63 62.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 0.24 112.301 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.55 3.56 10.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.239 -0.981 . . . . 0.2 113.143 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2119 ' ' ILE . 7.8 mm -70.25 129.87 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.053 0.454 . . . . 0.32 112.054 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -110.26 -178.23 3.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.932 -0.766 . . . . 1.86 108.932 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 53.3 p -61.89 -35.22 77.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.185 0.517 . . . . 1.32 111.156 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.739 ' O ' ' HB3' ' A' 2100 ' ' LEU . 61.3 mt -67.23 -50.97 58.66 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.509 -0.769 . . . . 1.61 110.391 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.634 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -74.0 -26.42 60.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 113.041 0.756 . . . . 0.19 113.041 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.52 -20.82 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.077 0.942 . . . . 0.24 109.376 170.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.739 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -84.48 -50.26 7.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.186 -1.37 . . . . 1.15 108.55 177.396 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.518 ' N ' HD13 ' A' 2100 ' ' LEU . 18.0 mt-10 -56.11 -42.53 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.46 111.997 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.4 mt -56.83 -61.39 2.47 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.266 0.555 . . . . 1.13 110.722 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.1 tmt_? -47.94 -42.91 28.59 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.395 -1.275 . . . . 2.11 111.216 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -58.46 -47.5 83.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.4 111.196 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 19.4 m -70.39 -42.06 72.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 0.33 111.277 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 2102 ' ' LEU . 61.6 mt -68.97 -46.73 67.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.329 . . . . 1.47 111.36 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.3 t -66.88 -27.68 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.345 0.593 . . . . 0.67 109.873 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.9 t60 -68.96 -48.14 63.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.523 -0.762 . . . . 1.29 110.405 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.476 ' CB ' HD11 ' A' 2066 ' ' LEU . 7.8 m-80 -68.97 -39.35 79.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.004 . . . . 0.4 112.798 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.553 ' HA ' ' HB2' ' A' 2049 ' ' MET . 40.8 p -81.12 -22.58 38.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.681 . . . . 0.33 109.971 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.48 10.73 84.11 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.077 -0.965 . . . . 0.36 112.237 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.699 HD21 HD23 ' A' 2136 ' ' LEU . 0.3 OUTLIER -97.15 -159.06 0.71 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.134 0.493 . . . . 0.47 109.882 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -138.29 116.84 12.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.147 -0.933 . . . . 0.43 109.904 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.91 151.89 76.43 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 114.297 -1.319 . . . . 1.25 111.609 -170.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.575 ' O ' ' HG3' ' A' 2103 ' ' ARG . 77.4 Cg_endo -79.06 152.49 24.47 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 123.591 2.861 . . . . 0.33 112.317 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.7 1.38 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.47 2.113 . . . . 0.46 111.695 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -100.7 3.14 42.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.549 . . . . 0.36 111.765 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 33.7 mt -39.66 -63.91 0.53 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 0.79 112.174 172.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2094 ' ' ILE . 10.9 mm -56.9 -25.68 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.564 -174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -84.45 -31.94 24.32 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.808 0.337 . . . . 0.38 111.683 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -89.33 -39.1 13.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.198 0.523 . . . . 1.34 111.024 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -123.83 71.26 50.61 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.586 -0.894 . . . . 0.43 108.586 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.728 ' O ' HG23 ' A' 2124 ' ' THR . 10.7 Cg_endo -91.58 104.09 0.24 Allowed 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.134 1.89 . . . . 0.25 112.619 -172.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.728 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.63 155.89 0.13 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.706 2.403 . . . . 0.13 104.896 160.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.6 Cg_exo -54.97 -39.52 90.35 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 CA-C-N 121.475 1.562 . . . . 0.14 109.908 171.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' 2130 ' ' GLN . 38.4 t60 -62.92 -48.49 78.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.561 -0.745 . . . . 0.42 111.726 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.73 73.98 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.86 0.362 . . . . 0.13 111.193 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.437 HD12 ' CE2' ' A' 2089 ' ' PHE . 48.7 mt -74.32 -30.23 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.475 -0.329 . . . . 0.14 111.477 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.431 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 57.8 m -59.78 -28.8 67.72 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.743 0.782 . . . . 0.24 109.162 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.6 mt-30 -80.63 -47.0 14.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.955 . . . . 1.66 110.106 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.24 -52.79 63.3 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.382 -0.372 . . . . 0.35 111.673 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.9 mm? -63.85 -32.12 73.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.575 0.226 . . . . 1.13 111.143 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -70.45 -38.13 74.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.556 -0.535 . . . . 0.31 109.556 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.581 ' O ' ' HG2' ' A' 2138 ' ' GLN . 27.7 m -65.4 -50.31 65.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.881 -0.599 . . . . 0.36 110.457 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.676 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.2 mmm180 -47.54 -53.17 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.699 HD23 HD21 ' A' 2112 ' ' LEU . 67.1 mt -66.5 -39.91 88.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.009 -0.541 . . . . 0.97 112.304 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.7 p -81.65 -37.6 27.24 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.68 112.215 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' 2134 ' ' THR . 25.3 pt20 -79.6 132.35 36.24 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.183 0.516 . . . . 1.96 110.108 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 13.7 m -94.54 68.89 3.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.382 0.611 . . . . 3.1 110.581 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.518 -0.764 . . . . 6.9 109.98 -178.539 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.109 -0.396 . . . . 6.15 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 34.3 p -94.62 -13.47 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.967 0.413 . . . . 6.22 111.335 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.24 160.33 14.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.412 0.625 . . . . 3.33 110.687 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.627 ' HB2' ' HA ' ' A' 2110 ' ' THR . 18.4 ttt -82.86 36.63 0.5 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.893 -1.049 . . . . 2.18 111.033 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -46.25 8.92 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.446 1.498 . . . . 9.04 114.909 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.563 ' H ' ' C ' ' A' 2049 ' ' MET . 14.1 tp -28.51 -25.57 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.599 1.56 . . . . 2.25 114.161 165.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.65 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 30.1 p30 -49.91 152.26 1.63 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.5 0.667 . . . . 4.07 111.668 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 113.12 -30.89 7.06 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.183 -0.767 . . . . 1.88 111.183 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 3.8 mm? -70.44 160.58 32.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.96 -0.756 . . . . 1.6 108.96 166.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.9 p -65.22 147.76 98.36 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.912 -0.773 . . . . 1.18 108.912 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.739 ' O ' ' HG3' ' A' 2060 ' ' GLN . 38.5 Cg_exo -38.65 -57.78 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.569 2.846 . . . . 0.86 114.056 -173.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.74 -39.18 87.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.894 0.331 . . . . 1.95 111.894 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 15.3 mm100 -58.73 -41.3 86.1 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.277 0.56 . . . . 1.6 109.913 176.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.65 ' NE2' ' HA ' ' A' 2052 ' ' ASN . 72.5 mt-30 -67.99 -44.67 76.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.595 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.739 ' HG3' ' O ' ' A' 2056 ' ' PRO . 64.2 mt-30 -59.31 -60.41 3.9 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.114 -0.494 . . . . 0.95 111.132 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.503 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.3 mt-30 -50.26 -37.19 34.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.025 0.44 . . . . 1.32 111.688 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' 2059 ' ' GLN . 87.0 m -55.96 -54.6 42.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.499 -0.773 . . . . 0.77 111.483 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.17 -19.9 46.05 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.905 0.859 . . . . 1.32 109.625 -176.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.82 -48.35 69.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.98 -1.464 . . . . 0.51 108.488 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 40.2 m -65.85 -34.75 78.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.311 -1.313 . . . . 0.41 110.942 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -57.94 10.47 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.063 -0.717 . . . . 1.35 109.063 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2067 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.25 -43.77 77.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.038 -0.983 . . . . 0.22 111.149 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.507 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.58 -47.6 75.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.175 -0.92 . . . . 0.17 111.446 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.62 -29.84 70.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.042 0.448 . . . . 0.23 110.745 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.27 80.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.241 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.809 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.9 t -85.53 -26.36 26.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 119.899 -0.721 . . . . 0.28 110.541 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.63 -46.84 58.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.167 -0.679 . . . . 0.31 109.167 166.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 91.4 m -70.79 -47.85 57.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.544 -0.753 . . . . 0.46 110.988 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.08 -42.23 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.086 0.773 . . . . 0.56 113.086 -176.34 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.809 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.3 mt -80.3 -21.09 42.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.21 0.528 . . . . 0.74 109.998 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 90.95 36.55 6.68 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.478 -0.783 . . . . 0.93 113.332 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.2 p80 -123.37 -9.53 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 0.97 111.061 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 90.0 m-70 71.65 -31.88 0.23 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.804 1.409 . . . . 1.56 114.804 166.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.2 p -81.15 124.32 81.05 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.27 0.841 . . . . 1.82 113.27 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' 2079 ' ' THR . 4.4 Cg_exo -85.86 -10.76 7.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.963 3.109 . . . . 0.51 110.544 173.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.65 -18.81 43.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.109 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.8 t -97.61 21.79 9.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.234 0.54 . . . . 0.63 110.413 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 HG23 ' A' 2071 ' ' THR . 13.9 mm -104.2 114.51 43.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.819 -0.628 . . . . 0.25 110.723 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.5 m -83.12 113.5 46.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.28 110.341 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.47 ' O ' ' HB ' ' A' 2124 ' ' THR . 26.5 Cg_endo -68.04 -26.39 37.11 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.4 2.066 . . . . 0.15 112.305 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.78 55.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.596 -0.729 . . . . 0.14 111.4 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 26.7 m -76.31 145.6 39.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.357 0.598 . . . . 0.16 109.44 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.76 141.46 33.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.201 -0.909 . . . . 0.15 109.595 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.512 ' HB3' HG13 ' A' 2094 ' ' ILE . 43.8 m-85 -45.19 -42.76 9.51 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.691 0.619 . . . . 0.12 111.498 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.03 -64.16 0.68 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.316 -0.857 . . . . 1.69 111.746 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.451 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.5 t70 -60.94 -30.99 70.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 2.27 111.105 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.2 mt -70.9 -12.86 61.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 0.24 112.41 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 110.88 14.56 12.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.245 -0.979 . . . . 0.2 112.683 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2119 ' ' ILE . 5.0 mm -79.83 118.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.202 0.525 . . . . 0.32 112.0 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.93 178.26 6.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.468 -0.787 . . . . 1.86 108.948 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.6 m -68.44 -30.52 69.41 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 118.231 0.469 . . . . 1.32 110.817 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' 2100 ' ' LEU . 69.7 mt -71.87 -48.89 42.68 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.245 0.545 . . . . 1.61 110.192 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.7 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.01 -27.35 61.73 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 112.963 0.727 . . . . 0.19 112.963 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.409 ' CA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -25.08 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.504 -0.925 . . . . 0.24 108.504 168.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.769 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 4.0 tp -86.92 -41.32 14.05 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 114.343 -1.299 . . . . 1.15 109.667 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.2 mt-10 -60.76 -35.58 76.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.874 -0.603 . . . . 0.46 110.582 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' 2071 ' ' THR . 7.9 mt -58.54 -70.7 0.13 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.345 0.498 . . . . 1.13 112.345 174.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.784 ' HB2' HD12 ' A' 2118 ' ' LEU . 0.0 OUTLIER -57.09 -26.21 60.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.903 -0.319 . . . . 2.11 111.027 -176.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -60.15 -56.74 17.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.08 0.466 . . . . 0.4 110.186 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 30.6 m -62.87 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.576 -0.738 . . . . 0.33 110.938 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.8 mp -61.51 -58.19 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.726 -0.67 . . . . 1.47 111.731 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 3.2 t -63.98 -28.05 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.67 110.294 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -66.43 -52.35 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.385 0.612 . . . . 1.29 110.442 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -66.96 -39.26 87.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.664 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.627 ' HA ' ' HB2' ' A' 2049 ' ' MET . 54.6 p -77.96 -23.87 48.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.648 0.737 . . . . 0.33 110.061 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.01 5.13 86.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.001 -1.0 . . . . 0.36 111.181 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.811 HD21 HD23 ' A' 2136 ' ' LEU . 11.2 mt -85.16 -168.5 2.24 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.647 -0.776 . . . . 0.47 110.337 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -136.92 122.3 19.43 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.605 -1.18 . . . . 0.43 108.811 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.588 HD13 HD11 ' A' 2118 ' ' LEU . 64.7 mt -130.14 159.53 69.87 Favored Pre-proline 0 C--N 1.305 -1.357 0 CA-C-N 114.916 -1.038 . . . . 1.25 111.3 -168.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' 2114 ' ' LEU . 95.8 Cg_endo -77.87 151.51 27.86 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.648 2.232 . . . . 0.33 111.06 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.621 ' HB2' ' NH2' ' A' 2103 ' ' ARG . 87.9 Cg_endo -81.14 13.86 2.26 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.657 1.572 . . . . 0.46 110.866 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.4 p -106.92 2.23 25.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.281 -0.872 . . . . 0.36 111.619 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' 2103 ' ' ARG . 15.3 mt -38.79 -67.09 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.344 0.868 . . . . 0.79 113.344 175.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2094 ' ' ILE . 12.5 mm -58.61 -21.35 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.202 -0.908 . . . . 0.28 111.605 -174.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.92 -38.83 16.33 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.301 -0.408 . . . . 0.38 111.642 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.5 -37.59 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.364 0.602 . . . . 1.34 111.175 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2122 ' ' HIS . . . . . 0.515 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 57.3 m-70 -127.52 74.37 77.88 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.43 108.692 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.765 ' O ' HG23 ' A' 2124 ' ' THR . 18.5 Cg_endo -91.91 101.97 0.21 Allowed 'Trans proline' 0 N--CA 1.434 -2.027 0 C-N-CA 121.922 1.748 . . . . 0.25 111.774 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.765 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 169.05 154.34 0.16 Allowed Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 127.808 2.443 . . . . 0.13 104.749 163.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.72 -38.06 94.78 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 CA-C-N 121.087 1.424 . . . . 0.14 110.033 171.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.516 ' O ' ' HG3' ' A' 2130 ' ' GLN . 57.4 t60 -64.66 -47.11 79.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.42 111.966 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.01 -40.85 70.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.023 0.439 . . . . 0.13 111.228 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.517 HD11 HD13 ' A' 2119 ' ' ILE . 46.7 mt -76.16 -30.33 58.07 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.317 -0.401 . . . . 0.14 111.452 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.4 m -59.92 -26.2 65.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.663 0.744 . . . . 0.24 109.206 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.0 mt-30 -80.24 -47.05 15.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.838 . . . . 1.66 110.068 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.98 -51.92 54.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.348 -0.387 . . . . 0.35 111.831 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.486 HD11 HD11 ' A' 2114 ' ' LEU . 2.3 mm? -62.57 -32.59 73.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.173 -0.211 . . . . 1.13 111.084 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -66.66 -39.62 88.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.249 -0.649 . . . . 0.31 109.249 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 41.4 m -67.27 -40.57 86.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.632 -0.713 . . . . 0.36 110.765 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' 2112 ' ' LEU . 7.2 mmm180 -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.61 0.243 . . . . 1.64 111.304 -175.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.811 HD23 HD21 ' A' 2112 ' ' LEU . 95.8 mt -79.76 -11.76 59.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.97 111.831 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.8 p -101.88 -28.33 12.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.517 . . . . 0.68 110.674 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -100.85 108.66 20.5 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.769 -0.65 . . . . 1.96 110.465 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 32.1 t -133.64 29.42 3.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.491 0.662 . . . . 3.1 110.991 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.354 -0.839 . . . . 6.9 109.465 177.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.913 -0.475 . . . . 6.15 111.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' 2051 ' ' LEU . 19.6 m -104.93 -57.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.616 0.208 . . . . 6.22 111.156 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 -74.71 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.411 0.522 . . . . 3.33 112.411 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.74 -78.27 0.4 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.396 0.887 . . . . 2.18 113.396 -166.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -106.64 0.39 24.36 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.014 . . . . 9.04 111.614 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.651 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 15.3 mt -92.51 27.14 2.38 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.598 0.592 . . . . 2.25 112.598 -161.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -90.82 109.4 20.61 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.553 -0.459 . . . . 4.07 110.473 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 101.84 -17.77 53.95 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.838 -0.696 . . . . 1.88 113.145 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 65.1 mt -90.63 145.48 24.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 1.6 111.052 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 7.3 t -70.02 147.15 95.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.792 -0.64 . . . . 1.18 109.349 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' 2060 ' ' GLN . 66.1 Cg_exo -37.2 -48.85 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.867 3.045 . . . . 0.86 114.066 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.85 -40.68 95.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 1.95 111.134 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.38 -42.39 96.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.29 -0.633 . . . . 1.6 109.29 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.651 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 90.0 mt-30 -54.61 -43.12 71.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.803 -1.09 . . . . 1.5 110.656 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' 2056 ' ' PRO . 18.3 mt-30 -59.25 -60.81 3.26 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 115.779 -0.646 . . . . 0.95 110.245 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 41.8 mt-30 -52.61 -36.44 56.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 1.32 111.704 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.8 m -53.02 -57.11 11.48 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.432 -0.804 . . . . 0.77 111.581 171.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.7 pp -80.63 -18.39 48.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.917 0.865 . . . . 1.32 109.458 -174.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.66 -45.76 81.73 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.917 -1.492 . . . . 0.51 108.511 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -65.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.206 -1.361 . . . . 0.41 110.409 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -55.61 27.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.985 -0.746 . . . . 1.35 108.985 173.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 2063 ' ' LEU . 75.1 t -52.45 -49.25 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.39 -0.823 . . . . 0.22 110.63 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.54 -49.8 76.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.537 -1.21 . . . . 0.17 111.827 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.83 -32.14 72.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.091 0.472 . . . . 0.23 110.895 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.76 85.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.614 -0.721 . . . . 0.24 110.346 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.816 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.17 -26.24 25.25 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.178 -0.609 . . . . 0.28 110.422 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.531 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.38 -44.26 54.81 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.187 -0.672 . . . . 0.31 109.187 167.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 81.8 m -71.55 -49.21 42.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.428 -0.805 . . . . 0.46 110.892 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.727 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.38 -42.35 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 113.189 0.811 . . . . 0.56 113.189 -176.018 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.0 mt -79.22 -24.54 43.04 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.377 0.608 . . . . 0.74 109.935 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.47 55.42 1.45 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.35 -0.841 . . . . 0.93 112.864 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.47 -5.0 0.44 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.328 0.492 . . . . 0.97 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.531 ' C ' ' HB1' ' A' 2072 ' ' ALA . 76.4 m-70 68.48 -34.0 0.25 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.311 1.597 . . . . 1.56 115.311 169.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.8 p -80.16 123.67 83.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.502 0.927 . . . . 1.82 113.502 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' 2079 ' ' THR . 5.4 Cg_exo -83.62 -15.76 7.12 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.807 3.005 . . . . 0.51 111.156 174.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.56 -19.71 45.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.735 -0.666 . . . . 1.54 110.663 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.4 t -93.87 22.07 6.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.63 109.935 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.639 HD12 HG23 ' A' 2071 ' ' THR . 11.4 mm -105.14 111.71 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.561 -0.745 . . . . 0.25 110.422 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 112.23 34.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.546 -0.297 . . . . 0.28 110.558 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.527 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.21 -28.9 39.9 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 C-N-CA 122.55 2.167 . . . . 0.15 112.62 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.32 55.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.64 -0.709 . . . . 0.14 111.076 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 47.7 m -82.2 148.68 28.31 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.535 0.683 . . . . 0.16 109.285 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.586 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.56 142.17 32.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.797 -1.092 . . . . 0.15 109.583 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -49.1 -35.71 16.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.205 -0.907 . . . . 0.12 112.007 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.622 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.41 -64.8 0.7 Allowed 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 123.556 0.535 . . . . 1.69 110.574 174.526 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.8 t70 -55.58 -31.86 62.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 2.27 111.009 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' 2089 ' ' PHE . 79.3 mt -72.34 -18.11 61.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.807 -0.633 . . . . 0.24 112.048 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.84 9.23 7.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.397 -0.906 . . . . 0.2 113.708 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2119 ' ' ILE . 2.9 mm -76.27 129.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.249 0.547 . . . . 0.32 112.329 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.48 179.63 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.601 -0.727 . . . . 1.86 109.191 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 50.0 m -59.93 -34.02 72.67 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.357 0.526 . . . . 1.32 111.253 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.731 ' O ' ' HB3' ' A' 2100 ' ' LEU . 0.0 OUTLIER -64.0 -62.87 1.35 Allowed 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.628 0.771 . . . . 1.61 109.722 178.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.727 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -64.05 -26.73 68.69 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 113.976 1.102 . . . . 0.19 113.976 179.139 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.546 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.45 -20.4 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.007 0.908 . . . . 0.24 109.58 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.731 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.2 OUTLIER -87.74 -48.29 7.98 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.275 -1.329 . . . . 1.15 108.595 177.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.532 ' N ' HD13 ' A' 2100 ' ' LEU . 24.6 mt-10 -56.52 -37.2 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.193 -0.912 . . . . 0.46 111.803 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 4.3 mt -57.94 -61.74 2.32 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.458 -0.337 . . . . 1.13 111.178 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -47.99 -44.88 30.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.254 -0.885 . . . . 2.11 110.912 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.4 111.84 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.9 m -80.3 -43.45 21.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.926 0.393 . . . . 0.33 110.911 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.89 -46.87 73.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.116 -0.493 . . . . 1.47 111.864 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 2.0 t -67.3 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.397 0.618 . . . . 0.67 109.872 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.58 -48.96 52.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 1.29 110.173 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.8 -45.08 83.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.6 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.665 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.5 p -75.32 -25.94 58.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.28 0.562 . . . . 0.33 109.761 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.56 0.85 83.92 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.105 -0.952 . . . . 0.36 111.934 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.921 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -98.58 -160.35 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.455 -0.572 . . . . 0.47 109.455 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2113 ' ' ASP . . . . . 0.496 ' HA ' ' OG1' ' A' 2107 ' ' THR . 21.0 t70 -136.41 117.72 14.61 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.495 -0.775 . . . . 0.43 110.175 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.09 157.54 50.5 Favored Pre-proline 0 C--N 1.304 -1.393 0 CA-C-N 114.104 -1.407 . . . . 1.25 110.076 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.478 ' O ' ' HG ' ' A' 2118 ' ' LEU . 83.5 Cg_endo -77.08 148.39 27.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.849 2.366 . . . . 0.33 111.854 174.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.73 -11.45 30.74 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.435 2.09 . . . . 0.46 111.153 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -91.98 6.23 47.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.477 -0.783 . . . . 0.36 111.93 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 2115 ' ' PRO . 13.2 mt -37.72 -63.69 0.44 Allowed 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.598 0.713 . . . . 0.79 112.353 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2094 ' ' ILE . 6.4 mm -57.57 -24.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.113 -1.403 . . . . 0.28 111.792 -175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.07 -29.52 18.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.38 111.328 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.51 -32.02 20.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 1.34 110.881 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2122 ' ' HIS . . . . . 0.4 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 74.3 m-70 -140.77 79.8 18.73 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 108.609 -0.886 . . . . 0.43 108.609 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.95 103.39 0.22 Allowed 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 121.864 1.71 . . . . 0.25 113.153 -172.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.75 HG23 ' O ' ' A' 2123 ' ' PRO . 4.8 p 167.87 157.23 0.14 Allowed Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 128.126 2.571 . . . . 0.13 104.766 160.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.454 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.1 -37.22 96.71 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 CA-C-N 121.528 1.581 . . . . 0.14 110.132 170.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.527 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 46.0 t60 -64.49 -48.95 73.27 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.789 -0.642 . . . . 0.42 111.395 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.33 -40.57 71.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.041 0.448 . . . . 0.13 110.961 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.537 HD11 HD13 ' A' 2119 ' ' ILE . 41.3 mt -75.14 -35.91 61.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.215 -0.448 . . . . 0.14 111.645 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 99.4 m -59.22 -30.93 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.648 0.737 . . . . 0.24 109.468 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.6 mm100 -78.87 -42.06 28.31 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.117 -0.947 . . . . 1.66 110.878 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.444 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.0 t60 -71.06 -52.05 21.69 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.35 110.814 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' 2063 ' ' LEU . 25.7 mt -63.93 -27.94 69.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 1.13 111.721 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.439 ' HB2' HD21 ' A' 2063 ' ' LEU . 16.1 t-80 -66.94 -42.83 84.62 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.894 -0.78 . . . . 0.31 108.894 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' 2138 ' ' GLN . 30.9 m -62.25 -46.97 86.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.533 -0.758 . . . . 0.36 109.934 176.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' 2112 ' ' LEU . 14.1 mmm180 -57.68 -48.75 78.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.631 . . . . 1.64 112.412 -178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.921 HD23 HD21 ' A' 2112 ' ' LEU . 89.4 mt -65.49 -22.81 66.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.755 0.65 . . . . 0.97 112.755 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' A' 2047 ' ' SER . 58.1 p -103.51 -31.11 10.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.649 0.611 . . . . 0.68 112.649 -172.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' 2134 ' ' THR . 24.4 mm-40 -70.16 109.37 4.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.522 0.677 . . . . 1.96 111.113 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 2.6 p -133.51 117.63 17.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.057 -0.974 . . . . 3.1 109.924 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.182 -0.913 . . . . 6.9 110.007 -178.054 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.769 -0.532 . . . . 6.15 111.769 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 12.6 m -73.55 -35.86 65.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.503 . . . . 6.22 110.457 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.426 ' HA ' ' HA3' ' A' 2111 ' ' GLY . 17.0 m-70 -88.8 168.15 12.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 3.33 110.296 175.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.58 ' HB2' ' HA ' ' A' 2110 ' ' THR . 10.5 ttt -81.32 37.47 0.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.072 -0.967 . . . . 2.18 111.565 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -42.93 9.1 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.029 1.862 . . . . 9.04 116.029 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 2051 ' ' LEU . 30.2 tp -42.74 41.1 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 126.846 2.058 . . . . 2.25 114.927 169.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.04 151.5 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.106 -0.996 . . . . 4.07 110.162 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.23 -30.62 7.81 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.095 -0.574 . . . . 1.88 112.05 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.89 155.52 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.132 -0.322 . . . . 1.6 110.132 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 16.6 m -60.1 140.34 90.83 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.887 -0.597 . . . . 1.18 109.417 172.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 85.3 Cg_exo -40.06 -50.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.28 2.654 . . . . 0.86 112.873 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 8.9 tt0 -62.96 -38.96 93.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.95 111.441 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.98 -43.86 98.22 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.181 0.515 . . . . 1.6 109.622 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2059 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.855 . . . . 1.5 110.089 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -61.0 -59.15 5.82 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 116.071 -0.513 . . . . 0.95 110.263 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.52 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 92.1 mt-30 -50.92 -35.37 32.78 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.305 0.378 . . . . 1.32 111.601 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.455 HG21 HD22 ' A' 2051 ' ' LEU . 86.6 m -58.22 -55.41 35.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.788 -0.642 . . . . 0.77 111.296 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.3 pp -77.79 -19.04 55.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.015 0.912 . . . . 1.32 109.519 -176.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.06 -48.86 64.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.989 -1.46 . . . . 0.51 108.329 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.4 m -62.48 -35.07 78.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 113.871 -1.513 . . . . 0.41 110.304 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -58.13 -61.91 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.644 -0.872 . . . . 1.35 108.644 175.334 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 2063 ' ' LEU . 62.2 t -53.64 -45.89 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.779 -1.1 . . . . 0.22 111.087 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -66.13 -46.52 77.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.344 -0.844 . . . . 0.17 111.797 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -65.01 -30.76 71.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.23 110.509 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.05 88.98 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.24 110.257 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.819 HG23 HD12 ' A' 2083 ' ' ILE . 9.9 t -85.87 -23.63 27.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.291 -0.564 . . . . 0.28 110.383 -177.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -52.83 -46.05 67.6 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.199 -0.667 . . . . 0.31 109.199 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.0 m -65.32 -50.18 66.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.686 -1.143 . . . . 0.46 110.675 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.85 HG22 HG22 ' A' 2098 ' ' THR . 1.2 t -62.65 -44.49 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.067 -0.97 . . . . 0.56 113.25 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.9 mt -75.82 -29.95 58.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.759 0.314 . . . . 0.74 110.591 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 113.29 49.11 0.57 Allowed Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.322 -0.942 . . . . 0.93 113.944 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.3 -10.23 0.74 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.66 0.615 . . . . 0.97 112.66 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 89.5 m-70 71.05 -49.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.232 0.827 . . . . 1.56 113.232 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.4 t -89.5 144.03 31.48 Favored Pre-proline 0 C--O 1.241 0.638 0 CA-C-O 121.957 0.885 . . . . 1.82 112.115 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.494 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 1.5 Cg_endo -86.36 2.61 7.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 125.326 4.017 . . . . 0.51 111.43 -178.217 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -74.07 -4.45 35.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.374 -0.83 . . . . 1.54 110.581 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 44.8 t -118.73 18.74 13.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.63 110.034 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.819 HD12 HG23 ' A' 2071 ' ' THR . 14.3 mm -102.22 103.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.783 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 15.9 m -79.87 115.72 56.03 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.148 -0.478 . . . . 0.28 109.883 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.499 ' O ' ' HB ' ' A' 2124 ' ' THR . 18.9 Cg_endo -65.43 -28.78 54.03 Favored 'Trans proline' 0 CA--C 1.513 -0.571 0 C-N-CA 122.596 2.197 . . . . 0.15 112.494 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.28 53.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.718 -0.674 . . . . 0.14 111.113 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.445 ' O ' HG22 ' A' 2124 ' ' THR . 31.2 m -74.08 145.64 44.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.05 -0.722 . . . . 0.16 109.05 174.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -87.01 145.65 26.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.159 -0.928 . . . . 0.15 110.213 -177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 44.2 m-85 -44.3 -40.43 5.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.135 -0.938 . . . . 0.12 111.204 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -45.35 -67.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 1.69 111.726 172.789 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.9 -27.67 66.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 2.27 111.66 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.51 -15.03 58.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.981 -0.554 . . . . 0.24 112.04 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.34 17.16 5.8 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.196 -1.002 . . . . 0.2 113.903 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2119 ' ' ILE . 0.5 OUTLIER -77.37 133.74 30.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 117.222 0.511 . . . . 0.32 112.092 178.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -110.34 179.99 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.722 -0.672 . . . . 1.86 109.3 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 57.5 p -63.22 -33.31 75.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.356 0.598 . . . . 1.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' 2100 ' ' LEU . 50.6 mt -69.08 -48.45 62.64 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.081 -0.963 . . . . 1.61 110.47 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.85 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -75.08 -26.46 59.36 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.32 -0.854 . . . . 0.19 112.98 178.114 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.21 -21.04 58.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.061 0.934 . . . . 0.24 109.423 171.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.734 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.4 OUTLIER -84.42 -49.84 8.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.104 -1.407 . . . . 1.15 108.507 178.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.492 ' N ' HD13 ' A' 2100 ' ' LEU . 25.7 mt-10 -55.23 -43.14 74.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.808 -1.087 . . . . 0.46 112.082 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' 2071 ' ' THR . 5.8 mt -53.77 -67.17 0.28 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.88 0.371 . . . . 1.13 111.811 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.1 OUTLIER -50.53 -34.11 24.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.236 -0.893 . . . . 2.11 110.732 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' 2103 ' ' ARG . 36.2 m-20 -59.59 -52.15 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.4 111.151 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.5 m -66.21 -39.09 89.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.98 0.419 . . . . 0.33 110.776 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' 2102 ' ' LEU . 6.9 mp -64.65 -54.22 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.896 -0.593 . . . . 1.47 111.558 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.9 t -64.9 -28.12 69.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.67 110.161 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.8 t60 -66.29 -53.18 39.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.518 -0.764 . . . . 1.29 110.215 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.8 -44.3 86.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.922 -1.036 . . . . 0.4 112.736 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' A' 2049 ' ' MET . 54.7 p -76.18 -24.45 54.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.768 0.794 . . . . 0.33 109.435 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2111 ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' 2048 ' ' HIS . . . 84.18 3.1 89.11 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.878 -1.056 . . . . 0.36 112.094 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.784 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -91.77 -157.8 0.53 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.259 0.552 . . . . 0.47 109.881 -178.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -135.2 123.94 23.8 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.869 -1.06 . . . . 0.43 109.315 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.538 HD13 HD11 ' A' 2118 ' ' LEU . 72.7 mt -128.72 151.62 77.42 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.366 -0.833 . . . . 1.25 111.833 -169.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' 2118 ' ' LEU . 80.4 Cg_endo -80.57 155.83 21.38 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.16 2.574 . . . . 0.33 111.407 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.2 Cg_endo -77.94 -0.36 10.59 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.937 1.758 . . . . 0.46 111.432 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -96.06 -0.22 50.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.36 112.018 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.538 HD11 HD13 ' A' 2114 ' ' LEU . 30.9 mt -40.28 -62.37 0.76 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.737 0.78 . . . . 0.79 112.153 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2094 ' ' ILE . 8.6 mm -57.67 -22.61 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.77 -1.559 . . . . 0.28 111.742 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -90.27 -33.32 16.18 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.38 111.698 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.26 -41.1 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.17 0.509 . . . . 1.34 111.554 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -128.22 74.76 79.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.251 -1.018 . . . . 0.43 108.251 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' 2124 ' ' THR . 44.5 Cg_endo -92.28 102.31 0.19 Allowed 'Trans proline' 0 N--CA 1.433 -2.032 0 C-N-CA 121.622 1.548 . . . . 0.25 112.372 -170.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.739 HG23 ' O ' ' A' 2123 ' ' PRO . 2.1 p 168.97 157.05 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 127.736 2.414 . . . . 0.13 105.158 163.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -55.96 -38.73 94.24 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 CA-C-N 120.828 1.332 . . . . 0.14 109.91 170.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' A' 2130 ' ' GLN . 66.8 t60 -66.72 -46.46 75.41 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.42 112.022 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.85 73.3 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.082 0.468 . . . . 0.13 110.756 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.473 HD11 HD13 ' A' 2119 ' ' ILE . 39.9 mt -75.81 -29.18 58.59 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.14 111.442 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 55.0 m -61.85 -26.06 67.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.611 0.719 . . . . 0.24 109.211 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.8 mt-30 -80.91 -52.16 7.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.28 -0.873 . . . . 1.66 110.245 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.588 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.8 t60 -58.92 -54.09 51.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.286 -0.415 . . . . 0.35 111.502 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.413 HD11 HD11 ' A' 2114 ' ' LEU . 2.1 mm? -64.28 -29.1 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.871 0.323 . . . . 1.13 111.871 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' 2137 ' ' THR . 11.3 t-160 -68.39 -46.04 71.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.31 109.252 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' 2138 ' ' GLN . 42.0 m -64.7 -45.75 85.27 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.351 -0.386 . . . . 0.36 110.878 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.1 mmp_? -49.04 -49.32 41.88 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.847 0.356 . . . . 1.64 111.666 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.784 HD23 HD21 ' A' 2112 ' ' LEU . 97.1 mt -65.3 -38.58 90.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.089 -0.505 . . . . 0.97 112.171 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.467 HG23 ' O ' ' A' 2133 ' ' HIS . 82.5 p -78.2 -27.01 47.79 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.68 111.597 -176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' 2134 ' ' THR . 85.4 mm-40 -81.79 141.78 33.19 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.088 -0.505 . . . . 1.96 109.66 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 38.7 p 48.01 62.04 2.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.671 0.748 . . . . 3.1 110.95 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.03 -0.986 . . . . 6.9 109.758 -176.848 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.752 -0.539 . . . . 6.15 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 6.0 p -148.92 125.24 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 6.22 110.971 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 33.7 m80 -125.43 166.08 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.511 0.672 . . . . 3.33 110.901 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.615 ' HB2' ' HA ' ' A' 2110 ' ' THR . 10.5 ttt -87.47 34.47 0.7 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.741 -1.118 . . . . 2.18 110.274 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' 2052 ' ' ASN . 7.0 mtt180 -41.47 10.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 127.542 2.337 . . . . 9.04 117.212 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' 2051 ' ' LEU . 20.9 tp -46.14 40.22 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 126.612 1.965 . . . . 2.25 115.904 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' 2050 ' ' ARG . 64.1 t30 -83.27 151.39 25.63 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.752 -1.217 . . . . 4.07 109.739 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.14 7.61 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.269 -0.732 . . . . 1.88 111.269 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.11 151.71 42.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.467 -0.568 . . . . 1.6 109.467 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 6.7 m -61.95 139.32 95.77 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.849 -0.797 . . . . 1.18 108.849 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.737 ' O ' ' HG3' ' A' 2060 ' ' GLN . 28.6 Cg_exo -39.27 -50.54 2.81 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 123.252 2.634 . . . . 0.86 113.55 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.35 -39.22 86.37 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.244 0.34 . . . . 1.95 111.345 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.1 -43.93 91.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.368 0.604 . . . . 1.6 109.827 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' 2062 ' ' THR . 43.1 mt-30 -66.69 -39.47 88.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.293 -0.867 . . . . 1.5 110.272 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.737 ' HG3' ' O ' ' A' 2056 ' ' PRO . 69.4 mt-30 -60.35 -58.58 7.89 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.112 -0.495 . . . . 0.95 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 56.6 mt-30 -54.48 -33.58 60.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.092 0.473 . . . . 1.32 111.573 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.589 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.9 m -53.15 -52.15 59.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.575 -0.739 . . . . 0.77 110.794 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.03 -23.77 41.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.775 0.798 . . . . 1.32 109.709 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.46 -32.05 72.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.391 -1.277 . . . . 0.51 108.858 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.1 m -85.64 -34.96 21.22 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.679 -1.601 . . . . 0.41 110.249 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -59.59 5.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.57 0.7 . . . . 1.35 109.304 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.516 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 55.5 t -55.76 -41.41 65.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.196 . . . . 0.22 110.897 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.76 -47.56 77.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.796 -1.093 . . . . 0.17 111.159 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.514 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.83 -31.55 70.97 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.116 0.484 . . . . 0.23 110.992 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.531 -0.759 . . . . 0.24 110.372 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.783 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -87.07 -24.81 24.45 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 119.869 -0.733 . . . . 0.28 110.598 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -50.71 -45.52 58.45 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.275 -0.639 . . . . 0.31 109.275 167.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.8 m -71.58 -48.95 44.96 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.296 -0.865 . . . . 0.46 110.803 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.781 HG22 HG22 ' A' 2098 ' ' THR . 0.8 OUTLIER -59.31 -41.92 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 113.277 0.843 . . . . 0.56 113.277 -175.707 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' A' 2071 ' ' THR . 8.9 mt -79.28 -24.29 43.0 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.199 0.523 . . . . 0.74 110.285 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.71 51.22 2.0 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.93 112.67 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.2 p80 -142.91 -3.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.625 -0.43 . . . . 0.97 111.843 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.529 ' C ' ' HB1' ' A' 2072 ' ' ALA . 36.3 m-70 66.52 -43.71 0.42 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.156 1.539 . . . . 1.56 115.156 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.521 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.3 p -73.4 123.47 89.49 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 113.599 0.963 . . . . 1.82 113.599 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.6 Cg_exo -84.37 -13.68 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.961 3.107 . . . . 0.51 110.761 174.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' 2081 ' ' GLU . 7.3 pt-20 -81.93 -18.01 45.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.032 -0.986 . . . . 1.54 110.502 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.1 t -92.39 17.45 9.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.592 0.711 . . . . 0.63 110.067 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.553 HD12 HG23 ' A' 2071 ' ' THR . 12.3 mm -102.68 124.57 56.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.729 -0.669 . . . . 0.25 110.61 -177.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 14.6 m -90.59 109.24 32.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.28 110.329 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.91 -26.78 51.43 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 C-N-CA 122.698 2.265 . . . . 0.15 112.583 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.65 -30.59 46.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.536 -0.756 . . . . 0.14 111.346 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.1 m -75.12 146.91 40.98 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.45 0.643 . . . . 0.16 109.506 176.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.78 141.5 34.68 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.088 -0.96 . . . . 0.15 109.416 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.53 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.6 m-85 -46.35 -37.93 8.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.12 112.342 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.516 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.58 -64.73 0.72 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.263 0.554 . . . . 1.69 110.572 175.78 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.54 -30.87 65.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.843 -1.072 . . . . 2.27 111.274 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' 2089 ' ' PHE . 82.9 mt -71.06 -14.91 62.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.24 112.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.74 4.53 14.92 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.235 -0.983 . . . . 0.2 113.456 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2119 ' ' ILE . 6.1 mm -68.91 133.04 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.312 0.577 . . . . 0.32 112.485 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 30.7 t70 -110.42 167.98 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.159 -0.928 . . . . 1.86 108.794 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.2 m -52.45 -39.31 60.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.306 0.503 . . . . 1.32 111.926 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.3 tp -63.48 -55.35 24.81 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.132 0.573 . . . . 1.61 110.945 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.781 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.89 -25.96 63.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.878 0.696 . . . . 0.19 112.878 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.77 -24.64 64.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.871 0.843 . . . . 0.24 109.316 170.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -37.28 14.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.829 -1.078 . . . . 1.15 109.144 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' 2097 ' ' LEU . 27.8 mt-10 -65.54 -37.66 87.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.546 . . . . 0.46 110.882 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 2106 ' ' LEU . 11.0 mt -55.43 -58.71 6.62 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.313 0.577 . . . . 1.13 110.055 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.0 tmt_? -48.14 -43.71 31.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.191 -1.368 . . . . 2.11 110.882 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.87 -44.14 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 0.4 111.359 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 62.6 m -75.31 -40.86 58.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 0.33 111.202 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 2102 ' ' LEU . 84.0 mt -68.4 -47.8 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.47 111.427 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.7 t -65.54 -27.02 68.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.31 0.576 . . . . 0.67 109.818 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.71 -52.44 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 1.29 110.411 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -60.32 -43.79 96.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.279 -0.873 . . . . 0.4 112.195 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.615 ' HA ' ' HB2' ' A' 2049 ' ' MET . 40.4 p -78.22 -28.01 47.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.457 0.646 . . . . 0.33 110.072 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.94 7.17 74.64 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.151 -0.932 . . . . 0.36 112.062 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.85 -158.94 0.7 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.295 0.569 . . . . 0.47 109.973 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -135.67 124.34 23.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.941 -1.027 . . . . 0.43 109.646 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.1 mt -133.6 155.13 80.84 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 115.172 -0.922 . . . . 1.25 111.47 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -81.09 154.03 19.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.309 2.673 . . . . 0.33 111.843 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.17 1.1 7.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.1 1.867 . . . . 0.46 111.551 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.6 p -96.14 -0.02 50.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.36 111.786 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 51.4 mt -38.15 -62.26 0.59 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.578 0.704 . . . . 0.79 112.065 173.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2094 ' ' ILE . 9.3 mm -57.03 -25.28 22.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 113.86 -1.518 . . . . 0.28 111.718 -175.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -90.41 -32.18 16.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.331 -0.395 . . . . 0.38 111.967 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.62 -33.21 21.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.297 0.57 . . . . 1.34 110.671 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -132.3 74.34 76.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.529 -0.915 . . . . 0.43 108.529 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' 2124 ' ' THR . 19.6 Cg_endo -91.61 102.94 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.771 0 C-N-CA 122.032 1.821 . . . . 0.25 112.625 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.732 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.56 156.31 0.13 Allowed Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 127.853 2.461 . . . . 0.13 105.206 160.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.1 Cg_exo -55.93 -37.44 95.99 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.356 1.52 . . . . 0.14 110.487 172.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 2130 ' ' GLN . 69.5 t60 -68.61 -43.16 76.99 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.42 111.618 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.45 75.52 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.959 0.409 . . . . 0.13 110.782 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.486 HD11 HD13 ' A' 2119 ' ' ILE . 50.4 mt -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.347 -0.388 . . . . 0.14 111.367 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 54.4 m -58.63 -31.96 68.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.095 -0.706 . . . . 0.24 109.095 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.2 mt-30 -80.35 -41.29 25.03 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.017 -0.992 . . . . 1.66 110.273 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.49 -53.89 36.03 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-N 116.413 -0.358 . . . . 0.35 111.404 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.504 HD12 HG21 ' A' 2110 ' ' THR . 2.1 mm? -61.55 -31.29 71.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.617 0.246 . . . . 1.13 111.167 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.58 -39.49 70.53 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.714 -0.476 . . . . 0.31 109.714 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 99.4 m -62.8 -51.12 68.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.36 110.257 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.0 mmm180 -46.95 -56.46 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.722 0.638 . . . . 1.64 112.722 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.691 HD23 HD21 ' A' 2112 ' ' LEU . 79.8 mt -63.48 -38.74 92.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.97 112.215 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 76.5 p -81.2 -30.91 34.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.957 0.408 . . . . 0.68 111.349 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.87 128.5 36.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.931 -0.577 . . . . 1.96 111.188 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 22.8 m -90.63 147.64 23.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.056 -0.52 . . . . 3.1 110.17 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.381 -0.818 . . . . 6.9 109.596 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.782 -0.527 . . . . 6.15 111.782 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 22.2 t -86.91 78.95 8.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.132 -0.692 . . . . 6.22 109.132 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.542 ' HB3' ' CD1' ' A' 2136 ' ' LEU . 9.3 m80 59.4 -89.65 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.182 -0.917 . . . . 3.33 111.506 -174.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.615 ' HG3' ' O ' ' A' 2109 ' ' ASN . 12.6 ttm -112.95 -81.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.378 -0.929 . . . . 2.18 112.435 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.551 ' O ' HD23 ' A' 2054 ' ' LEU . 32.5 mmt180 -109.56 -0.24 18.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.702 -1.135 . . . . 9.04 112.359 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.471 ' HG ' ' NE2' ' A' 2059 ' ' GLN . 6.5 mp -71.83 13.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.437 1.273 . . . . 2.25 114.437 -161.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -90.26 108.9 20.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.282 0.563 . . . . 4.07 110.605 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 99.12 -18.84 56.12 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.903 -0.665 . . . . 1.88 113.336 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' 2050 ' ' ARG . 3.2 mm? -88.43 143.17 27.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.622 . . . . 1.6 112.116 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 50.5 m -76.42 154.2 83.93 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.961 -1.018 . . . . 1.18 109.767 172.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' 2060 ' ' GLN . 12.6 Cg_exo -36.7 -50.1 1.39 Allowed 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 124.614 3.543 . . . . 0.86 114.712 -177.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -64.7 -42.82 95.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.613 0.188 . . . . 1.95 111.075 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.434 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 21.1 mm-40 -60.19 -40.53 90.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.369 0.604 . . . . 1.6 109.449 175.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.636 ' O ' ' HB ' ' A' 2062 ' ' THR . 97.9 mt-30 -59.64 -40.9 89.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.047 -0.978 . . . . 1.5 110.266 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' 2056 ' ' PRO . 71.6 mt-30 -62.21 -53.49 54.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.822 0.344 . . . . 0.95 110.45 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.703 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 49.2 mt-30 -52.5 -30.93 32.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.48 -0.782 . . . . 1.32 111.475 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.7 m -53.22 -57.28 11.03 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.378 -0.828 . . . . 0.77 111.722 174.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.605 HD22 ' H ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -72.28 -35.89 68.83 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 108.462 -0.94 . . . . 1.32 108.462 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -54.17 -42.14 69.29 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.643 -1.617 . . . . 0.51 109.706 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 33.1 m -78.41 -43.12 28.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.059 -1.428 . . . . 0.41 111.304 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.3 tp -57.13 -59.74 4.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.515 0.674 . . . . 1.35 110.975 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.456 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 53.3 t -52.98 -42.14 43.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.397 -1.274 . . . . 0.22 111.169 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -67.89 -46.88 70.4 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.426 -0.806 . . . . 0.17 111.051 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.506 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.46 -32.03 72.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.2 0.524 . . . . 0.23 110.626 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.72 86.97 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.49 -0.777 . . . . 0.24 110.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.0 t -86.79 -25.01 24.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.853 -0.739 . . . . 0.28 110.439 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.595 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -51.79 -44.28 63.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.221 -0.659 . . . . 0.31 109.221 166.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.3 m -69.82 -49.84 48.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.267 -0.879 . . . . 0.46 110.792 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.824 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -60.95 -40.13 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 113.421 0.897 . . . . 0.56 113.421 -174.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -81.2 -22.05 39.15 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.253 0.549 . . . . 0.74 110.16 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 91.44 54.11 2.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.582 -0.736 . . . . 0.93 112.607 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.6 p80 -145.66 -6.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.621 -0.432 . . . . 0.97 111.944 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.546 ' C ' ' HB1' ' A' 2072 ' ' ALA . 29.1 m-70 67.18 -34.29 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.286 1.587 . . . . 1.56 115.286 171.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 13.6 p -79.05 122.36 84.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 113.582 0.956 . . . . 1.82 113.582 -175.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.506 ' HB3' ' N ' ' A' 2069 ' ' ALA . 3.6 Cg_exo -85.15 -17.97 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.925 3.083 . . . . 0.51 111.086 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.68 -18.9 56.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.448 -0.796 . . . . 1.54 110.342 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -94.61 21.01 7.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.366 0.603 . . . . 0.63 110.219 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.598 HD12 HG23 ' A' 2071 ' ' THR . 12.8 mm -104.63 111.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.522 -0.763 . . . . 0.25 110.352 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.0 m -79.96 113.16 35.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.624 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 27.5 Cg_endo -66.78 -27.39 44.37 Favored 'Trans proline' 0 CA--C 1.513 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.15 112.995 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.01 53.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.939 -0.573 . . . . 0.14 111.441 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 29.4 m -74.63 146.89 42.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.45 0.643 . . . . 0.16 109.394 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.557 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.42 143.56 30.2 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.001 -0.999 . . . . 0.15 109.612 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.5 ' HB3' HG13 ' A' 2094 ' ' ILE . 33.5 m-85 -49.37 -38.94 30.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.655 -0.702 . . . . 0.12 112.056 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.62 -63.24 1.14 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.219 0.533 . . . . 1.69 110.628 174.354 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.437 ' HB3' ' CG2' ' A' 2087 ' ' THR . 15.0 t70 -57.53 -30.79 65.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.038 -0.983 . . . . 2.27 111.048 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' 2089 ' ' PHE . 88.7 mt -73.27 -17.96 61.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.734 -0.666 . . . . 0.24 112.33 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.77 4.24 9.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.079 -1.058 . . . . 0.2 113.458 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2119 ' ' ILE . 5.5 mm -69.54 129.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.111 0.782 . . . . 0.32 113.111 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -105.48 178.02 4.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.343 -0.844 . . . . 1.86 108.854 172.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 12.4 p -60.64 -42.95 97.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.085 0.469 . . . . 1.32 111.372 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' 2101 ' ' GLU . 11.4 tp -60.54 -54.1 49.48 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.57 -0.741 . . . . 1.61 110.893 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.824 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.31 -26.54 63.83 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.039 0.755 . . . . 0.19 113.039 -179.012 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.486 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.13 -23.52 63.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.905 0.86 . . . . 0.24 109.521 170.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.82 -37.43 14.48 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.83 -1.077 . . . . 1.15 109.058 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.47 ' HG3' ' HA ' ' A' 2098 ' ' THR . 32.7 mt-10 -65.11 -36.87 85.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.072 -0.513 . . . . 0.46 111.37 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 2071 ' ' THR . 12.8 mt -55.38 -61.44 2.33 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.285 0.564 . . . . 1.13 110.011 171.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.3 tmt_? -49.17 -40.1 31.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.413 -1.267 . . . . 2.11 111.248 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.7 m-20 -55.01 -51.94 64.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.4 110.827 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 8.4 m -67.83 -41.19 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.64 . . . . 0.33 110.498 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2102 ' ' LEU . 5.8 mp -60.52 -59.9 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 1.47 112.0 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.7 t -65.37 -27.92 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.998 0.427 . . . . 0.67 110.635 -174.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.7 -53.26 35.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.408 0.623 . . . . 1.29 110.136 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.615 ' O ' ' HG3' ' A' 2049 ' ' MET . 2.8 m-80 -64.93 -34.83 79.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.864 -1.062 . . . . 0.4 112.688 -176.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 32.9 p -83.78 -27.03 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.115 0.483 . . . . 0.33 111.01 -173.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.54 12.27 75.75 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.423 -0.808 . . . . 0.36 112.031 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -108.31 -160.08 0.71 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.316 0.579 . . . . 0.47 110.024 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -134.35 125.45 27.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.845 -1.07 . . . . 0.43 109.379 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 83.3 mt -133.56 152.66 79.47 Favored Pre-proline 0 C--N 1.309 -1.155 0 CA-C-N 115.148 -0.933 . . . . 1.25 110.879 -172.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' 2118 ' ' LEU . 68.8 Cg_endo -79.75 150.72 21.5 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 123.135 2.556 . . . . 0.33 112.092 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.07 -0.32 8.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.277 1.985 . . . . 0.46 111.548 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 8.5 p -98.77 4.18 47.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.775 -0.648 . . . . 0.36 112.131 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' 2115 ' ' PRO . 49.9 mt -38.94 -63.02 0.56 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.522 0.677 . . . . 0.79 112.219 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2094 ' ' ILE . 6.9 mm -57.22 -23.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 113.978 -1.465 . . . . 0.28 111.784 -175.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -86.91 -31.12 20.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.258 -0.428 . . . . 0.38 111.706 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.23 -36.37 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.287 0.565 . . . . 1.34 111.014 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -126.06 72.16 70.18 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.659 -0.867 . . . . 0.43 108.659 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.779 ' O ' HG23 ' A' 2124 ' ' THR . 14.4 Cg_endo -91.79 103.23 0.22 Allowed 'Trans proline' 0 N--CA 1.437 -1.824 0 C-N-CA 121.82 1.68 . . . . 0.25 112.838 -171.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.779 HG23 ' O ' ' A' 2123 ' ' PRO . 6.9 p 168.32 159.15 0.16 Allowed Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 128.031 2.532 . . . . 0.13 104.959 159.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -57.23 -37.11 98.82 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 CA-C-N 121.192 1.462 . . . . 0.14 110.21 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.636 ' O ' ' HG3' ' A' 2130 ' ' GLN . 70.2 t60 -67.27 -47.79 69.66 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.42 111.592 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.26 67.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.127 0.421 . . . . 0.13 110.801 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.428 HD11 HD13 ' A' 2119 ' ' ILE . 37.6 mt -76.32 -33.76 59.02 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.184 -0.462 . . . . 0.14 111.398 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 42.8 m -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.984 -0.747 . . . . 0.24 108.984 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -74.61 -47.24 33.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.109 -0.95 . . . . 1.66 110.097 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.09 -51.71 65.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.047 -0.524 . . . . 0.35 111.297 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' 2136 ' ' LEU . 2.2 mm? -63.28 -37.21 86.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 121.078 -0.249 . . . . 1.13 111.31 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.85 -32.66 73.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.124 -0.695 . . . . 0.31 109.124 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.7 m -69.94 -46.42 65.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.36 110.589 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.793 ' HB3' HD13 ' A' 2112 ' ' LEU . 7.8 mmm180 -62.87 -51.01 68.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.736 0.643 . . . . 1.64 112.736 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' 2132 ' ' LEU . 4.2 mm? -63.62 -17.89 63.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.057 0.762 . . . . 0.97 113.057 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 70.6 p -110.12 -53.9 2.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.683 0.754 . . . . 0.68 111.298 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' 2139 ' ' SER . 0.6 OUTLIER -100.79 158.74 15.74 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.462 -1.245 . . . . 1.96 110.554 -176.664 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' 2138 ' ' GLN . 91.2 p 59.82 -162.97 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.613 0.765 . . . . 3.1 111.801 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.177 -0.916 . . . . 6.9 111.045 -175.842 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.442 ' HA3' ' OE1' ' A' 2059 ' ' GLN . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.852 -0.499 . . . . 6.15 111.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 15.6 p -167.96 143.85 3.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.396 -0.224 . . . . 6.22 110.396 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -177.23 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 3.33 109.932 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.457 ' HG2' ' HG2' ' A' 2050 ' ' ARG . 39.1 ttp -110.76 -78.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 2.18 111.471 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.457 ' HG2' ' HG2' ' A' 2049 ' ' MET . 40.9 mmt180 -108.78 -1.55 19.21 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.987 -1.006 . . . . 9.04 111.709 174.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.559 HD21 HD13 ' A' 2136 ' ' LEU . 1.8 mm? -72.64 -18.0 61.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.64 0.607 . . . . 2.25 112.64 -163.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -56.38 112.37 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.999 0.428 . . . . 4.07 111.617 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.28 -22.6 22.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.924 -0.655 . . . . 1.88 112.478 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.505 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.9 mm? -92.94 155.74 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 1.6 110.88 -177.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 59.5 m -86.19 157.16 56.85 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.579 -0.737 . . . . 1.18 109.33 170.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.536 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.2 Cg_exo -36.27 -54.91 0.83 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 124.891 3.728 . . . . 0.86 115.529 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.49 -36.63 81.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 1.95 110.692 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 12.9 mm-40 -64.96 -40.27 94.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.575 -0.528 . . . . 1.6 109.575 174.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.577 ' O ' ' HB ' ' A' 2062 ' ' THR . 29.3 mt-30 -57.87 -40.78 81.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.302 -0.863 . . . . 1.5 110.259 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 2063 ' ' LEU . 63.7 mt-30 -60.16 -58.8 6.98 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.123 -0.49 . . . . 0.95 110.201 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.7 mt-30 -53.28 -35.85 60.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.029 0.443 . . . . 1.32 111.3 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.1 m -53.47 -55.31 26.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.77 111.339 172.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.36 -21.62 45.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.862 0.839 . . . . 1.32 109.465 -175.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.7 -43.71 92.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.995 -1.457 . . . . 0.51 108.553 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.6 m -70.28 -34.85 73.27 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 113.522 -1.672 . . . . 0.41 110.607 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -52.72 64.36 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.312 -0.625 . . . . 1.35 109.312 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' 2063 ' ' LEU . 58.2 t -56.75 -46.38 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.22 111.088 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.67 83.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.573 -0.74 . . . . 0.17 111.246 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.531 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.23 110.491 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.75 84.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.487 -0.779 . . . . 0.24 110.396 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.737 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -87.67 -20.48 26.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 119.908 -0.717 . . . . 0.28 110.524 -176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.34 52.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.876 -0.602 . . . . 0.31 109.764 169.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.7 m -65.89 -49.04 69.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.055 -0.975 . . . . 0.46 110.877 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.793 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -59.89 -45.73 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.56 112.963 -176.367 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.5 mt -76.47 -31.11 57.6 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.9 0.381 . . . . 0.74 111.012 -176.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 114.76 47.66 0.56 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.381 -0.914 . . . . 0.93 113.923 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 2078 ' ' HIS . 0.2 OUTLIER -139.62 -17.14 1.0 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 117.416 0.608 . . . . 0.97 112.503 174.088 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' 2077 ' ' HIS . 31.1 m-70 70.55 -38.86 0.43 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.455 HG23 ' OE1' ' A' 2081 ' ' GLU . 1.3 t -90.82 142.01 27.29 Favored Pre-proline 0 C--O 1.238 0.477 0 CA-C-O 121.713 0.768 . . . . 1.82 111.93 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.531 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.0 Cg_endo -89.43 -0.17 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.341 1 C-N-CA 125.44 4.093 . . . . 0.51 112.601 -178.205 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.455 ' OE1' HG23 ' A' 2079 ' ' THR . 1.3 pm0 -67.77 -10.55 53.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.664 -0.698 . . . . 1.54 110.771 -175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 42.2 t -116.68 18.98 14.77 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.14 -0.936 . . . . 0.63 110.552 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.698 HD12 HG23 ' A' 2071 ' ' THR . 15.0 mm -100.29 111.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.659 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.2 m -87.32 113.65 54.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.28 110.4 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.47 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.7 Cg_endo -65.54 -29.45 52.75 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.747 2.298 . . . . 0.15 112.811 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.903 -0.589 . . . . 0.14 111.185 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.451 ' O ' HG22 ' A' 2124 ' ' THR . 35.3 m -76.38 148.42 37.38 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.336 -0.616 . . . . 0.16 109.336 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.579 ' HA ' HG22 ' A' 2124 ' ' THR . . . -84.01 143.31 29.86 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.341 -0.845 . . . . 0.15 109.662 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.526 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.6 m-85 -47.95 -39.47 19.39 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.745 0.653 . . . . 0.12 111.784 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.59 -63.2 1.07 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.689 -0.687 . . . . 1.69 111.375 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.448 ' HB3' ' CG2' ' A' 2087 ' ' THR . 13.8 t70 -57.81 -31.93 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 2.27 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' 2089 ' ' PHE . 83.9 mt -73.54 -15.02 61.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.57 -0.741 . . . . 0.24 112.303 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.12 0.99 11.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.126 -1.035 . . . . 0.2 113.618 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2119 ' ' ILE . 3.2 mm -67.69 129.94 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.492 0.663 . . . . 0.32 112.495 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -103.88 168.89 8.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.983 -1.117 . . . . 1.86 107.983 172.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 11.5 t -58.73 -31.89 68.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.619 0.645 . . . . 1.32 110.848 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.607 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.5 mt -68.39 -53.64 22.51 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.168 0.509 . . . . 1.61 109.771 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.793 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.16 -26.24 64.76 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.819 -0.628 . . . . 0.19 112.547 179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.547 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.76 -23.89 65.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.998 0.904 . . . . 0.24 109.527 170.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.16 -37.06 14.44 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.627 -1.17 . . . . 1.15 108.884 178.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.5 mt-10 -67.49 -35.91 80.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 0.46 111.5 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' 2071 ' ' THR . 9.5 mt -55.65 -63.77 1.06 Allowed 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.116 0.484 . . . . 1.13 111.012 174.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' 2100 ' ' LEU . 2.3 ppt_? -54.95 -30.13 58.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.926 -1.034 . . . . 2.11 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 69.3 m-20 -58.73 -48.36 81.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 0.4 110.617 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 28.0 m -70.52 -41.45 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.33 110.637 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.9 mp -61.12 -57.78 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.47 111.683 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 6.0 t -60.59 -28.06 68.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.256 0.551 . . . . 0.67 110.495 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.1 t60 -73.7 -48.79 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.29 110.623 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' 2049 ' ' MET . 5.1 m-80 -66.54 -40.92 89.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.297 -0.865 . . . . 0.4 112.181 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.647 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.0 p -80.32 -24.53 39.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.979 -0.555 . . . . 0.33 110.364 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.13 9.55 82.05 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.36 112.121 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.78 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -103.08 -159.3 0.72 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.116 0.484 . . . . 0.47 109.776 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2113 ' ' ASP . . . . . 0.483 ' HA ' ' OG1' ' A' 2107 ' ' THR . 23.5 t70 -134.91 125.73 27.28 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.976 -1.011 . . . . 0.43 109.415 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.514 HD13 HD11 ' A' 2118 ' ' LEU . 72.2 mt -131.28 149.6 74.1 Favored Pre-proline 0 C--N 1.307 -1.28 0 CA-C-N 115.233 -0.894 . . . . 1.25 110.696 -172.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.44 157.0 25.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.251 2.634 . . . . 0.33 112.134 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -75.53 2.88 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.318 2.012 . . . . 0.46 111.158 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 19.4 p -106.57 5.96 29.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.471 -0.786 . . . . 0.36 112.081 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.514 HD11 HD13 ' A' 2114 ' ' LEU . 17.7 mt -42.42 -63.53 0.75 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.446 0.641 . . . . 0.79 112.088 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2094 ' ' ILE . 8.2 mm -56.58 -24.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.786 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -88.62 -32.26 18.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.38 111.697 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.46 -34.75 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.266 0.555 . . . . 1.34 110.603 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -131.77 77.08 73.23 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.373 -0.973 . . . . 0.43 108.373 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.686 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.07 102.95 0.26 Allowed 'Trans proline' 0 N--CA 1.44 -1.634 0 C-N-CA 121.443 1.429 . . . . 0.25 112.623 -172.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.686 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 158.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 127.757 2.423 . . . . 0.13 105.294 160.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.5 Cg_exo -57.08 -36.87 99.37 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 121.2 1.464 . . . . 0.14 110.074 170.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 71.3 t60 -69.29 -43.07 74.59 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.874 -0.603 . . . . 0.42 112.039 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.6 76.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.161 0.505 . . . . 0.13 110.424 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.454 HD11 HD13 ' A' 2119 ' ' ILE . 28.0 mt -71.98 -28.76 63.63 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.005 -0.543 . . . . 0.14 111.4 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.3 m -61.43 -29.22 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.24 109.277 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.17 -44.81 19.19 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.283 -0.872 . . . . 1.66 110.171 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' 2135 ' ' ARG . 78.7 t60 -69.24 -52.02 31.82 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.495 -0.321 . . . . 0.35 111.613 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.7 mm? -61.86 -28.78 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -68.46 -39.73 81.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.278 -0.638 . . . . 0.31 109.278 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.0 m -64.23 -46.55 83.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.36 110.392 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.693 ' HB3' HD13 ' A' 2112 ' ' LEU . 11.0 mmm180 -62.12 -46.24 89.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.158 -0.473 . . . . 1.64 111.986 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.78 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -74.07 -5.13 39.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.842 0.682 . . . . 0.97 112.842 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 39.1 p -110.33 -41.17 4.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.203 0.525 . . . . 0.68 111.116 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.92 108.84 3.65 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.493 -0.776 . . . . 1.96 111.186 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 11.5 p -141.15 30.9 1.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.818 0.818 . . . . 3.1 110.068 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 114.53 -1.213 . . . . 6.9 109.804 -178.78 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 112.132 -0.387 . . . . 6.15 112.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 49.6 m -76.35 -5.94 49.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.982 0.364 . . . . 6.22 111.982 -175.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 35.4 m80 63.92 -84.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.695 0.628 . . . . 3.33 112.695 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.521 ' HG2' ' HG2' ' A' 2050 ' ' ARG . 30.5 ttp -108.38 -78.99 0.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.337 0.866 . . . . 2.18 113.337 -169.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.521 ' HG2' ' HG2' ' A' 2049 ' ' MET . 28.5 mmt180 -107.18 -11.34 15.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 113.226 0.824 . . . . 9.04 113.226 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' 2059 ' ' GLN . 1.8 mm? -78.45 30.39 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.977 1.103 . . . . 2.25 113.977 -161.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -84.38 107.98 16.95 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.678 -0.409 . . . . 4.07 110.052 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 98.96 -2.73 58.31 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.855 -0.688 . . . . 1.88 113.619 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.7 mm? -100.46 138.77 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.475 0.638 . . . . 1.6 110.911 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 28.3 m -72.15 155.9 91.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.616 -0.72 . . . . 1.18 109.444 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.599 ' O ' ' HB2' ' A' 2059 ' ' GLN . 5.2 Cg_exo -36.7 -53.92 1.05 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 124.635 3.557 . . . . 0.86 115.549 -175.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -71.37 -35.42 71.09 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.139 -0.624 . . . . 1.95 110.845 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.432 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 82.3 mm-40 -60.88 -42.27 97.61 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.039 -0.726 . . . . 1.6 109.039 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.633 ' HA ' HD12 ' A' 2051 ' ' LEU . 93.4 mt-30 -53.55 -48.42 69.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.535 -1.212 . . . . 1.5 110.291 174.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' 2056 ' ' PRO . 42.5 mt-30 -59.29 -54.28 48.58 Favored 'General case' 0 C--O 1.203 -1.362 0 CA-C-N 115.498 -0.774 . . . . 0.95 110.134 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 70.7 mt-30 -52.54 -38.69 60.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.913 0.387 . . . . 1.32 111.511 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.2 m -54.24 -55.45 27.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.645 . . . . 0.77 111.428 173.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.8 pp -80.49 -18.67 47.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.928 0.871 . . . . 1.32 109.63 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.01 -46.97 76.02 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.973 -1.467 . . . . 0.51 108.089 174.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 91.0 m -63.25 -38.79 92.54 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.595 -1.639 . . . . 0.41 110.306 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -54.91 41.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 1.35 109.254 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.461 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -57.3 -46.27 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.247 -0.888 . . . . 0.22 111.021 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.474 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.0 -48.02 82.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.265 -0.88 . . . . 0.17 111.35 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -32.65 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.23 110.748 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.64 92.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.62 -0.718 . . . . 0.24 110.501 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.4 -26.97 23.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 120.002 -0.679 . . . . 0.28 110.389 -176.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -44.33 59.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.977 -0.749 . . . . 0.31 108.977 166.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.9 m -70.39 -50.07 42.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.231 -0.895 . . . . 0.46 111.03 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.79 HG22 HG22 ' A' 2098 ' ' THR . 0.6 OUTLIER -59.43 -43.41 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.146 0.795 . . . . 0.56 113.146 -175.478 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.7 mt -78.47 -26.64 46.14 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.218 0.532 . . . . 0.74 110.139 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 95.2 47.34 2.63 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.381 -0.827 . . . . 0.93 112.76 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.0 p80 -137.31 -8.61 1.73 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 120.427 -0.509 . . . . 0.97 111.722 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.5 m-70 72.37 -30.59 0.21 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.269 1.581 . . . . 1.56 115.269 166.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.3 p -84.4 125.01 72.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 119.36 0.982 . . . . 1.82 113.393 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.1 Cg_exo -85.63 -13.05 6.12 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.919 3.079 . . . . 0.51 110.862 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.82 -13.22 51.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 1.54 110.379 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.1 t -100.83 19.33 17.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.45 0.643 . . . . 0.63 109.891 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.556 HD12 HG23 ' A' 2071 ' ' THR . 14.2 mm -100.53 115.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.505 -0.77 . . . . 0.25 109.913 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 13.9 m -84.65 110.47 27.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 0.28 110.331 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 25.7 Cg_endo -66.46 -27.67 46.61 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 C-N-CA 122.48 2.12 . . . . 0.15 112.585 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.68 -30.65 52.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.14 110.96 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.438 ' O ' HG22 ' A' 2124 ' ' THR . 63.0 m -74.98 148.53 39.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.188 -0.671 . . . . 0.16 109.188 175.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.555 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.86 144.29 30.19 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.974 -1.012 . . . . 0.15 109.654 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 31.8 m-85 -49.14 -37.22 21.38 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.727 0.642 . . . . 0.12 111.873 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.08 -65.38 0.58 Allowed 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.917 -0.583 . . . . 1.69 110.865 174.596 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.419 ' HB3' ' CG2' ' A' 2087 ' ' THR . 23.5 t70 -57.77 -27.34 62.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.468 -0.787 . . . . 2.27 111.335 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.9 mt -74.57 -14.5 60.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.854 -0.612 . . . . 0.24 112.018 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.39 0.79 14.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.322 -0.942 . . . . 0.2 113.583 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.524 HG21 HG21 ' A' 2119 ' ' ILE . 6.3 mm -66.62 132.19 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.883 0.697 . . . . 0.32 112.883 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -107.39 178.09 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.114 -0.948 . . . . 1.86 108.924 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.6 p -57.75 -39.66 77.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.176 0.512 . . . . 1.32 111.261 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' 2101 ' ' GLU . 51.9 mt -65.21 -53.94 37.06 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.395 -0.82 . . . . 1.61 110.24 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.79 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -71.06 -26.35 63.03 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.587 -0.733 . . . . 0.19 112.736 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.69 -24.32 65.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.012 0.91 . . . . 0.24 109.23 170.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -39.87 12.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.438 -1.256 . . . . 1.15 109.391 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.6 mt-10 -63.69 -36.39 83.7 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.826 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' 2071 ' ' THR . 9.1 mt -57.08 -59.32 5.25 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 121.251 0.548 . . . . 1.13 110.337 172.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.86 -44.04 28.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.439 -1.255 . . . . 2.11 110.692 176.135 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -57.14 -53.38 58.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.909 -0.587 . . . . 0.4 111.493 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 95.1 m -66.88 -43.43 83.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.474 -0.33 . . . . 0.33 111.445 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 2102 ' ' LEU . 94.3 mt -64.81 -51.21 63.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.341 -0.39 . . . . 1.47 111.471 -177.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.65 -28.1 68.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.164 0.506 . . . . 0.67 110.183 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.87 -53.08 35.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.201 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -60.72 -49.5 77.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.4 112.006 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.597 ' HB ' HD21 ' A' 2136 ' ' LEU . 36.2 p -74.22 -21.72 59.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.37 0.605 . . . . 0.33 110.221 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.14 10.8 85.1 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.025 -0.989 . . . . 0.36 112.084 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.721 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -101.91 -160.17 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.362 0.601 . . . . 0.47 109.495 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.25 123.78 22.2 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.917 -1.038 . . . . 0.43 109.052 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 69.5 mt -129.95 154.98 81.27 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 114.825 -1.08 . . . . 1.25 111.007 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -80.76 148.46 17.72 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.151 2.567 . . . . 0.33 111.806 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.75 -2.47 11.47 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.03 1.82 . . . . 0.46 111.162 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.0 p -94.38 2.06 55.81 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.731 -0.668 . . . . 0.36 111.493 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2115 ' ' PRO . 16.9 mt -36.95 -67.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.812 0.671 . . . . 0.79 112.812 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.4 mm -56.7 -25.87 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 114.335 -1.302 . . . . 0.28 111.584 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -88.84 -32.64 17.7 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.241 -0.436 . . . . 0.38 111.751 -177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.64 -33.05 23.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.386 0.612 . . . . 1.34 110.631 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -133.87 78.23 60.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.55 -0.907 . . . . 0.43 108.55 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.716 ' O ' HG23 ' A' 2124 ' ' THR . 27.8 Cg_endo -91.56 102.68 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.826 0 C-N-CA 121.507 1.471 . . . . 0.25 112.56 -172.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.716 HG23 ' O ' ' A' 2123 ' ' PRO . 3.2 p 166.77 157.24 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 127.939 2.496 . . . . 0.13 105.055 160.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.8 Cg_exo -55.67 -39.34 91.64 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 CA-C-N 121.441 1.55 . . . . 0.14 109.986 171.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.529 ' O ' ' HG3' ' A' 2130 ' ' GLN . 50.6 t60 -63.34 -46.88 84.55 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.628 -0.714 . . . . 0.42 111.65 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.61 77.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.998 0.428 . . . . 0.13 111.038 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.573 HD11 HD13 ' A' 2119 ' ' ILE . 44.4 mt -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.14 111.294 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.493 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 88.7 m -63.09 -25.03 68.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.615 0.721 . . . . 0.24 109.377 176.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.5 mt-30 -80.72 -47.44 13.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 1.66 109.75 176.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.577 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.2 t60 -65.47 -54.14 32.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.35 111.585 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.8 mm? -60.52 -27.69 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.6 0.222 . . . . 1.13 111.6 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.428 ' CG ' ' HG2' ' A' 2060 ' ' GLN . 17.4 t-80 -69.57 -42.03 75.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.196 -0.668 . . . . 0.31 109.196 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.6 m -64.76 -30.89 71.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.36 111.339 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.721 ' HB3' HD13 ' A' 2112 ' ' LEU . 26.2 mmm180 -74.69 -48.58 25.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.173 0.511 . . . . 1.64 110.975 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 2112 ' ' LEU . 96.9 mt -75.93 -10.77 59.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 113.562 0.949 . . . . 0.97 113.562 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 71.3 p -110.51 -56.08 2.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.585 0.707 . . . . 0.68 111.073 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.13 129.2 36.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.801 -1.09 . . . . 1.96 110.16 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 15.2 m -83.34 116.09 22.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.92 -0.582 . . . . 3.1 110.669 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.866 -0.606 . . . . 6.9 111.337 178.303 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 112.025 -0.43 . . . . 6.15 112.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 37.0 t -165.46 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.043 0.449 . . . . 6.22 111.044 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 46.1 m80 -138.95 -177.84 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.009 -0.541 . . . . 3.33 110.371 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 37.1 ttp -28.85 -77.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.552 1.316 . . . . 2.18 114.552 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -105.73 -2.89 22.73 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.251 -0.886 . . . . 9.04 112.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.56 HD21 HD13 ' A' 2136 ' ' LEU . 1.2 mm? -92.83 39.53 1.04 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.665 -0.414 . . . . 2.25 112.049 -167.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.64 106.55 18.1 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.513 -0.551 . . . . 4.07 109.513 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.93 85.28 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 121.05 -0.595 . . . . 1.88 113.583 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.36 136.22 34.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 117.65 0.725 . . . . 1.6 111.339 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' 2059 ' ' GLN . 25.6 m -75.91 156.09 84.51 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 1.18 109.964 174.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' 2060 ' ' GLN . 20.6 Cg_exo -36.16 -49.35 1.2 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 124.569 3.513 . . . . 0.86 114.779 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.48 -44.89 89.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.664 0.268 . . . . 1.95 110.98 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -57.55 -42.34 82.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.464 . . . . 1.6 109.853 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.7 mt-30 -56.64 -41.5 77.26 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.32 -0.854 . . . . 1.5 110.738 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.0 mt-30 -57.38 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.691 -0.686 . . . . 0.95 110.69 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 51.0 mt-30 -53.72 -34.04 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.007 -0.542 . . . . 1.32 111.588 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' 2059 ' ' GLN . 54.3 m -49.53 -53.96 20.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.466 -0.788 . . . . 0.77 111.229 171.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' 2136 ' ' LEU . 14.6 mt -82.29 -23.29 35.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.441 0.639 . . . . 1.32 109.873 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.43 -30.36 71.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.6 -1.182 . . . . 0.51 108.55 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 94.0 m -87.04 -39.09 15.95 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 113.541 -1.663 . . . . 0.41 110.619 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' 2106 ' ' LEU . 0.0 OUTLIER -60.64 -56.04 26.06 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.488 0.661 . . . . 1.35 109.644 -179.234 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.412 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.9 t -57.27 -40.47 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 114.762 -1.108 . . . . 0.22 110.791 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.84 -48.82 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.92 -1.036 . . . . 0.17 111.108 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.484 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.27 -29.6 69.95 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.142 0.496 . . . . 0.23 110.913 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.68 79.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.517 -0.765 . . . . 0.24 110.314 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.815 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.3 t -87.4 -26.1 23.47 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.072 -0.651 . . . . 0.28 110.079 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -49.57 -45.5 47.79 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.91 -0.774 . . . . 0.31 108.91 166.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 56.3 m -70.62 -50.14 40.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.46 110.892 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.1 -37.25 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 113.554 0.946 . . . . 0.56 113.554 -175.345 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.815 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.1 mt -86.07 -9.22 57.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.191 0.52 . . . . 0.74 110.544 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 80.65 47.19 6.88 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.662 -0.699 . . . . 0.93 113.158 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.4 p80 -138.44 -4.75 1.63 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.306 0.553 . . . . 0.97 112.025 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.504 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.2 m-70 68.82 -42.29 0.48 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.256 1.576 . . . . 1.56 115.256 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.509 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 8.5 p -76.05 123.9 88.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 113.68 0.992 . . . . 1.82 113.68 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.7 Cg_exo -84.73 -16.98 5.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 124.042 3.161 . . . . 0.51 111.247 174.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.93 -18.16 54.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.763 . . . . 1.54 109.981 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.7 t -93.08 21.59 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.012 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.535 HD12 HG23 ' A' 2071 ' ' THR . 12.1 mm -106.8 122.51 60.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.659 -0.701 . . . . 0.25 110.481 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.2 m -92.48 110.41 44.76 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.225 -0.443 . . . . 0.28 110.076 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.514 ' O ' ' HB ' ' A' 2124 ' ' THR . 21.9 Cg_endo -65.75 -27.35 52.23 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 122.536 2.158 . . . . 0.15 112.605 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.79 -30.04 58.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.722 -0.672 . . . . 0.14 111.499 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 30.6 m -74.65 147.07 41.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.17 -0.678 . . . . 0.16 109.17 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.545 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.85 143.76 31.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.169 -0.923 . . . . 0.15 109.534 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.544 ' HB3' HG13 ' A' 2094 ' ' ILE . 29.4 m-85 -48.09 -39.77 21.29 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 123.748 0.655 . . . . 0.12 111.927 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.3 -65.65 0.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.278 0.561 . . . . 1.69 111.067 173.775 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -64.57 -12.41 44.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 2.27 111.945 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.434 HD21 ' HB ' ' A' 2087 ' ' THR . 97.4 mt -87.15 -13.97 42.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.24 111.792 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.8 1.45 11.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.276 -0.964 . . . . 0.2 113.365 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2119 ' ' ILE . 5.9 mm -68.85 128.88 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.309 0.576 . . . . 0.32 112.435 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.11 179.58 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.566 -0.902 . . . . 1.86 108.566 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.3 m -62.96 -34.11 76.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.259 0.552 . . . . 1.32 110.408 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' 2100 ' ' LEU . 11.7 tp -62.99 -55.25 27.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.574 -0.739 . . . . 1.61 111.115 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.529 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -72.76 -24.92 61.01 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 112.784 0.661 . . . . 0.19 112.784 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.96 -20.29 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.958 0.885 . . . . 0.24 109.603 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.729 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -86.66 -52.0 5.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.333 -1.303 . . . . 1.15 108.188 176.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.515 ' N ' HD13 ' A' 2100 ' ' LEU . 24.2 mt-10 -58.86 -40.19 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.791 -1.095 . . . . 0.46 112.408 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.7 tp -65.03 -54.26 33.11 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-O 120.885 0.374 . . . . 1.13 110.246 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.88 -44.42 29.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.214 -0.903 . . . . 2.11 110.226 172.262 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -59.13 -48.21 82.46 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.504 -0.771 . . . . 0.4 110.913 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.8 m -63.29 -45.94 89.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.639 -0.255 . . . . 0.33 111.298 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.406 ' CD1' HD13 ' A' 2066 ' ' LEU . 2.4 mm? -59.0 -43.49 91.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.467 0.175 . . . . 1.47 110.827 176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 79.3 m -63.52 -37.48 87.45 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 121.202 0.525 . . . . 0.67 111.097 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -70.5 -27.53 64.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.418 0.628 . . . . 1.29 111.116 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -86.27 -50.58 6.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.292 -0.867 . . . . 0.4 111.831 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.411 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 40.3 p -77.19 -30.73 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 0.33 110.381 -172.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.72 7.84 83.65 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.258 -0.883 . . . . 0.36 111.801 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.748 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -93.13 -159.6 0.69 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.244 0.545 . . . . 0.47 109.738 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.41 117.51 13.44 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.134 -0.939 . . . . 0.43 109.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.79 158.38 62.75 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.28 -1.327 . . . . 1.25 110.702 -173.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2103 ' ' ARG . 83.6 Cg_endo -79.92 148.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.992 2.461 . . . . 0.33 111.97 174.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.12 -5.29 13.3 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.382 2.055 . . . . 0.46 111.622 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.2 p -93.07 1.45 57.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.956 -0.565 . . . . 0.36 111.667 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 2115 ' ' PRO . 15.0 mt -38.93 -65.1 0.39 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.725 0.774 . . . . 0.79 112.214 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -61.12 -18.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.893 -1.503 . . . . 0.28 111.819 -173.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -90.41 -34.96 15.44 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.381 -0.372 . . . . 0.38 111.463 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.45 -37.15 20.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.324 0.583 . . . . 1.34 110.927 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -128.0 71.35 78.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.69 -0.856 . . . . 0.43 108.69 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.776 ' O ' HG23 ' A' 2124 ' ' THR . 9.9 Cg_endo -91.74 102.27 0.22 Allowed 'Trans proline' 0 N--CA 1.436 -1.876 0 C-N-CA 122.057 1.838 . . . . 0.25 111.985 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.776 HG23 ' O ' ' A' 2123 ' ' PRO . 6.7 p 169.63 151.51 0.14 Allowed Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 128.187 2.595 . . . . 0.13 104.38 163.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.439 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 47.0 Cg_exo -55.19 -35.98 92.2 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 CA-C-N 121.425 1.545 . . . . 0.14 110.548 173.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' A' 2130 ' ' GLN . 68.1 t60 -66.32 -45.65 79.59 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.641 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.26 73.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.031 0.443 . . . . 0.13 111.096 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' 2119 ' ' ILE . 44.5 mt -75.22 -30.68 60.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.224 -0.444 . . . . 0.14 111.29 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.9 m -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.066 -0.716 . . . . 0.24 109.066 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.2 mt-30 -80.21 -52.94 7.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.312 -0.858 . . . . 1.66 110.172 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.548 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.7 t60 -64.21 -53.27 51.89 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.264 -0.426 . . . . 0.35 112.112 -174.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.0 mm? -61.9 -26.14 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.144 -0.222 . . . . 1.13 111.295 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.79 -42.45 73.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.203 -0.666 . . . . 0.31 109.203 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 44.7 m -62.14 -39.48 92.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.36 110.773 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.57 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -65.85 -46.32 78.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.467 -0.333 . . . . 1.64 111.408 -176.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.748 HD23 HD21 ' A' 2112 ' ' LEU . 91.7 mt -74.22 -5.2 40.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.486 0.55 . . . . 0.97 112.486 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 28.5 p -110.55 -37.4 5.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.034 0.445 . . . . 0.68 111.169 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.56 123.35 23.8 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.926 -0.579 . . . . 1.96 110.288 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 2.2 p -67.72 104.84 1.74 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.541 . . . . 3.1 111.135 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 67.5 m80 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.272 -0.871 . . . . 6.9 110.565 179.666 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.929 -0.469 . . . . 6.15 111.929 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 33.9 t 58.97 62.41 1.88 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.586 0.354 . . . . 6.22 110.376 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 77.5 m-70 67.49 174.46 0.26 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.449 0.643 . . . . 3.33 110.95 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.649 ' C ' ' H ' ' A' 2051 ' ' LEU . 13.6 mtt -102.77 28.39 6.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.807 0.813 . . . . 2.18 109.836 174.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' 2052 ' ' ASN . 18.8 tpt180 -59.43 7.85 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 113.949 -1.478 . . . . 9.04 112.113 175.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.649 ' H ' ' C ' ' A' 2049 ' ' MET . 97.0 mt -21.79 48.05 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 129.345 3.058 . . . . 2.25 118.493 -164.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' 2050 ' ' ARG . 18.1 m120 -48.92 128.43 15.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.214 0.461 . . . . 4.07 110.155 171.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.67 -31.56 7.23 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.874 -0.603 . . . . 1.88 111.669 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' 2051 ' ' LEU . 3.2 mm? -88.71 138.7 31.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.613 -0.514 . . . . 1.6 109.613 173.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.1 m -68.91 148.45 97.93 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.922 -0.581 . . . . 1.18 109.57 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.696 ' O ' ' HG3' ' A' 2060 ' ' GLN . 42.7 Cg_exo -41.44 -47.06 5.82 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 123.209 2.606 . . . . 0.86 113.582 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 35.5 tt0 -62.11 -37.9 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.561 0.219 . . . . 1.95 111.26 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 12.8 mm-40 -61.98 -45.91 91.57 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.383 0.611 . . . . 1.6 109.473 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' 2062 ' ' THR . 26.9 mt-30 -60.29 -37.97 82.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.864 -1.062 . . . . 1.5 110.786 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.1 mt-30 -63.21 -57.96 8.77 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.421 -0.354 . . . . 0.95 110.216 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 45.8 mt-30 -53.92 -36.97 63.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 1.32 111.375 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' 2059 ' ' GLN . 98.3 m -49.54 -52.32 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.77 110.908 172.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 11.6 mt -79.91 -24.69 40.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.481 -0.782 . . . . 1.32 109.576 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.92 -41.83 82.02 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.466 -1.243 . . . . 0.51 109.387 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 53.7 m -79.04 -35.12 43.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.507 -1.224 . . . . 0.41 110.688 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.635 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 16.5 tp -58.78 -62.13 2.1 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.4 0.619 . . . . 1.35 110.808 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.482 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 51.9 t -51.6 -43.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.393 -1.276 . . . . 0.22 110.993 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.57 71.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.126 -0.943 . . . . 0.17 111.396 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.427 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.4 -32.7 71.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.094 0.473 . . . . 0.23 110.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.1 88.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.24 110.452 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.761 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.4 t -87.52 -20.42 26.53 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.135 -0.626 . . . . 0.28 110.194 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.503 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -55.05 -43.26 73.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.371 -0.603 . . . . 0.31 109.371 169.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.4 m -71.33 -49.26 44.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.09 -0.959 . . . . 0.46 110.425 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.801 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.0 -37.79 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.56 113.195 -174.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.0 mt -84.42 -41.6 16.5 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.808 -0.557 . . . . 0.74 111.127 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 122.13 61.14 0.21 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.357 -0.925 . . . . 0.93 113.428 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.513 ' NE2' ' HB2' ' A' 2075 ' ' LEU . 0.2 OUTLIER -152.75 -26.5 0.16 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.808 0.304 . . . . 0.97 111.79 175.613 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.406 ' C ' ' HB1' ' A' 2072 ' ' ALA . 48.1 m-70 68.89 -6.48 0.87 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.831 0.678 . . . . 1.56 112.831 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.508 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.3 p -91.8 120.81 67.87 Favored Pre-proline 0 N--CA 1.452 -0.37 0 N-CA-C 112.834 0.679 . . . . 1.82 112.834 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.2 Cg_exo -84.83 -16.59 5.3 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 124.338 3.359 . . . . 0.51 110.887 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.54 -17.94 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.54 110.248 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 13.0 t -98.1 22.13 9.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.63 110.458 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.519 HD12 HG23 ' A' 2071 ' ' THR . 13.1 mm -107.22 115.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.501 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.6 m -84.85 110.81 30.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.485 -0.325 . . . . 0.28 110.402 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 24.8 Cg_endo -66.26 -27.08 48.54 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.704 2.269 . . . . 0.15 112.825 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.44 59.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.72 -0.673 . . . . 0.14 111.742 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.592 ' HB ' HD21 ' A' 2092 ' ' LEU . 36.0 m -78.65 148.08 33.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.378 -0.601 . . . . 0.16 109.378 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.524 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.01 141.08 36.26 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.144 -0.935 . . . . 0.15 109.603 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.552 ' HB3' HG13 ' A' 2094 ' ' ILE . 36.4 m-85 -45.53 -39.36 7.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.909 -1.041 . . . . 0.12 112.544 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.14 -64.79 0.7 Allowed 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.558 0.536 . . . . 1.69 110.603 175.276 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.6 -7.19 18.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.988 -1.006 . . . . 2.27 111.897 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.592 HD21 ' HB ' ' A' 2087 ' ' THR . 96.0 mt -89.86 -15.39 32.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.24 111.431 175.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.66 0.61 11.01 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.297 -0.954 . . . . 0.2 113.426 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -67.54 130.7 33.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.545 0.572 . . . . 0.32 112.545 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -103.52 178.65 4.5 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.706 -0.85 . . . . 1.86 108.706 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 31.0 m -65.93 -30.34 70.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.232 0.469 . . . . 1.32 111.18 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' 2101 ' ' GLU . 56.6 mt -70.64 -53.36 16.13 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.323 0.583 . . . . 1.61 110.098 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.801 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.53 -25.9 63.32 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.6 -0.727 . . . . 0.19 112.809 -178.387 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.23 -24.31 63.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.962 0.887 . . . . 0.24 109.543 169.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.65 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.05 -38.37 13.63 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.697 -1.138 . . . . 1.15 109.162 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' 2104 ' ' ASN . 26.0 mt-10 -65.9 -34.86 79.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.264 -0.425 . . . . 0.46 111.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' 2071 ' ' THR . 8.8 mt -56.41 -65.33 0.63 Allowed 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 116.315 -0.402 . . . . 1.13 111.284 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.5 OUTLIER -52.58 -33.27 45.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.871 . . . . 2.11 110.974 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.1 m-20 -55.73 -51.56 66.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.4 110.447 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -69.71 -42.4 74.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.33 110.88 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.3 mp -62.11 -55.02 33.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 1.47 111.75 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.6 t -65.73 -27.54 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.235 0.541 . . . . 0.67 110.132 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.13 -46.88 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 1.29 110.588 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.45 -39.58 74.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.018 -0.992 . . . . 0.4 112.417 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.514 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 40.5 p -80.46 -25.51 38.85 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.415 0.626 . . . . 0.33 109.848 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.31 1.31 90.38 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.016 -0.993 . . . . 0.36 111.186 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.855 HD21 HD23 ' A' 2136 ' ' LEU . 10.5 mt -80.82 -170.2 2.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.595 -0.802 . . . . 0.47 110.478 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.53 123.01 27.1 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.607 -1.179 . . . . 0.43 108.753 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.51 HD13 HD11 ' A' 2118 ' ' LEU . 56.8 mt -138.17 148.89 61.65 Favored Pre-proline 0 C--N 1.312 -1.053 0 CA-C-N 115.14 -0.936 . . . . 1.25 111.856 -168.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.2 Cg_endo -79.61 159.3 25.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.387 2.724 . . . . 0.33 111.897 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.8 Cg_endo -76.97 1.57 8.51 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.272 1.981 . . . . 0.46 111.236 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 15.5 p -98.69 2.15 46.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.703 -0.681 . . . . 0.36 111.572 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.51 HD11 HD13 ' A' 2114 ' ' LEU . 18.5 mt -41.15 -62.43 0.84 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.352 0.596 . . . . 0.79 112.333 174.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.544 HD13 HD11 ' A' 2128 ' ' LEU . 10.0 mm -55.28 -25.72 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.212 -1.358 . . . . 0.28 111.473 -175.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.96 -31.34 17.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.09 -0.504 . . . . 0.38 111.663 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 -34.68 21.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.077 0.465 . . . . 1.34 111.013 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.99 77.9 61.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.736 ' O ' HG23 ' A' 2124 ' ' THR . 29.7 Cg_endo -91.75 103.71 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.77 0 C-N-CA 121.801 1.668 . . . . 0.25 112.902 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.736 HG23 ' O ' ' A' 2123 ' ' PRO . 4.0 p 167.79 157.27 0.14 Allowed Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 127.783 2.433 . . . . 0.13 105.296 159.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.442 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.4 Cg_exo -55.36 -36.76 94.5 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 CA-C-N 121.45 1.554 . . . . 0.14 110.379 171.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.6 t60 -69.5 -45.44 68.91 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.42 111.788 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.4 69.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.01 0.434 . . . . 0.13 110.921 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.544 HD11 HD13 ' A' 2119 ' ' ILE . 39.0 mt -74.11 -33.67 63.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.368 -0.378 . . . . 0.14 111.453 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 60.7 m -56.81 -29.44 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.11 -0.7 . . . . 0.24 109.11 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.5 mt-30 -80.16 -48.78 12.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.253 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.1 t60 -61.54 -53.31 57.97 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.346 -0.388 . . . . 0.35 111.535 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.434 HD12 HG21 ' A' 2110 ' ' THR . 2.6 mm? -57.14 -39.05 74.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.517 0.199 . . . . 1.13 111.073 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.68 -35.9 82.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.627 -0.509 . . . . 0.31 109.627 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' 2138 ' ' GLN . 27.8 m -70.15 -40.34 74.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.542 -0.754 . . . . 0.36 110.688 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.476 ' CB ' HD13 ' A' 2112 ' ' LEU . 15.4 mmm180 -63.45 -33.86 76.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.211 0.529 . . . . 1.64 110.609 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.855 HD23 HD21 ' A' 2112 ' ' LEU . 67.0 mt -81.01 -25.65 37.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.523 -0.762 . . . . 0.97 112.026 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.0 p -97.2 -20.14 18.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.68 111.86 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' 2134 ' ' THR . 18.3 mt-30 -83.85 159.49 21.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.413 -0.358 . . . . 1.96 111.811 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 12.4 m 55.11 77.4 0.22 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.269 -0.878 . . . . 3.1 111.979 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2140 ' ' HIS . . . . . 0.4 ' HA ' ' NH2' ' A' 2050 ' ' ARG . 39.6 m170 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.87 -0.586 . . . . 6.9 110.435 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 112.003 -0.439 . . . . 6.15 112.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 3.3 m -57.72 -42.0 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.583 0.706 . . . . 6.22 109.3 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 52.4 m80 -130.27 -178.0 4.56 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.905 -1.043 . . . . 3.33 108.819 171.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' 2136 ' ' LEU . 1.5 ptm -43.47 -81.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.618 1.34 . . . . 2.18 114.618 -163.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -109.15 -7.32 15.33 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.433 -0.803 . . . . 9.04 110.786 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.636 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 6.9 mt -66.31 -10.13 39.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.425 0.898 . . . . 2.25 113.425 -162.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -71.11 113.92 8.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.54 0.686 . . . . 4.07 110.777 -177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 109.12 -30.94 8.11 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.421 -0.809 . . . . 1.88 112.085 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.537 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.6 mm? -83.99 140.71 31.71 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.887 0.375 . . . . 1.6 110.482 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.4 m -71.97 154.38 92.57 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.152 -0.684 . . . . 1.18 109.152 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2060 ' ' GLN . 14.2 Cg_exo -36.37 -51.9 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.567 3.511 . . . . 0.86 115.231 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 30.4 tt0 -67.17 -38.83 86.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.051 0.453 . . . . 1.95 110.707 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.537 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 9.1 mm100 -63.38 -40.55 97.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.207 -0.664 . . . . 1.6 109.207 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.636 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 94.2 mt-30 -57.03 -42.01 79.63 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.253 -0.885 . . . . 1.5 110.699 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.597 ' O ' ' HG ' ' A' 2063 ' ' LEU . 41.9 mt-30 -58.95 -58.26 9.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 116.207 -0.451 . . . . 0.95 109.953 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.579 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.9 mt-30 -56.57 -34.07 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 1.32 111.369 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2059 ' ' GLN . 53.4 m -53.67 -55.61 24.48 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.478 -0.783 . . . . 0.77 111.547 171.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -81.12 -18.9 44.85 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.925 0.869 . . . . 1.32 109.463 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.48 -47.5 75.87 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.105 -1.407 . . . . 0.51 108.289 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.3 m -58.73 -39.82 82.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 113.835 -1.529 . . . . 0.41 110.224 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -60.05 4.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.828 -0.804 . . . . 1.35 108.828 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' 2063 ' ' LEU . 63.6 t -52.63 -45.09 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -0.999 . . . . 0.22 111.342 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.73 69.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.436 -0.802 . . . . 0.17 111.494 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.44 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -64.71 -27.0 68.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.23 110.569 179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.0 71.14 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.423 -0.808 . . . . 0.24 110.19 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.845 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.7 t -84.2 -25.76 29.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.718 -0.793 . . . . 0.28 109.721 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.461 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -48.27 -48.0 35.91 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.021 -0.733 . . . . 0.31 109.021 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 93.0 m -72.41 -46.61 54.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.367 -0.833 . . . . 0.46 111.48 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.81 -40.57 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 112.998 0.74 . . . . 0.56 112.998 -177.39 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.845 ' HG ' ' O ' ' A' 2071 ' ' THR . 12.0 mt -76.68 -36.18 57.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.253 0.549 . . . . 0.74 109.947 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 112.05 32.28 2.45 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.634 -0.793 . . . . 0.93 113.069 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' 2072 ' ' ALA . 29.7 p80 -122.04 -2.72 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.107 0.48 . . . . 0.97 111.505 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.407 ' C ' ' HB1' ' A' 2072 ' ' ALA . 64.8 m-70 70.41 -57.18 0.58 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.706 1.372 . . . . 1.56 114.706 168.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 2.7 t -87.82 145.04 35.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 119.363 -0.935 . . . . 1.82 111.817 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.44 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 2.0 Cg_endo -83.38 -0.93 10.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.217 3.945 . . . . 0.51 111.839 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.19 -0.8 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 1.54 111.081 -176.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.5 t -118.87 15.23 13.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.429 -0.805 . . . . 0.63 110.078 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.609 HD12 HG23 ' A' 2071 ' ' THR . 24.8 mm -98.73 112.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.25 110.8 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -88.79 111.71 46.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.024 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.9 Cg_endo -64.27 -28.01 63.91 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.756 2.304 . . . . 0.15 112.67 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.63 -30.38 59.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.612 -0.722 . . . . 0.14 111.391 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 39.6 m -76.5 147.87 37.53 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.402 0.62 . . . . 0.16 109.44 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.532 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.81 142.09 34.05 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.166 -0.924 . . . . 0.15 109.502 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.542 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.0 m-85 -47.83 -36.64 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.272 -0.876 . . . . 0.12 111.909 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.93 -65.95 0.48 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.978 -0.555 . . . . 1.69 110.846 174.535 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.03 -29.59 65.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 2.27 111.273 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.6 mt -71.73 -15.99 62.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.24 111.969 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.98 1.46 10.52 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.251 -0.976 . . . . 0.2 113.741 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.542 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -66.34 130.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.419 0.628 . . . . 0.32 112.544 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 28.5 t70 -108.17 169.67 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.847 -1.07 . . . . 1.86 108.422 173.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 51.0 m -56.62 -32.76 65.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.904 0.774 . . . . 1.32 111.392 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' 2101 ' ' GLU . 47.0 mt -69.08 -54.66 13.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.117 0.484 . . . . 1.61 109.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.574 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.33 -25.62 64.29 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.879 0.696 . . . . 0.19 112.879 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.507 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.95 -23.33 65.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.807 0.813 . . . . 0.24 109.363 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.89 -39.05 13.28 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.865 -1.061 . . . . 1.15 108.886 178.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.0 mt-10 -69.08 -34.87 75.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.46 111.367 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.4 tp -64.33 -56.29 15.44 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 116.206 -0.452 . . . . 1.13 111.032 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' 2100 ' ' LEU . 1.4 ppt_? -56.59 -28.02 59.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.67 -0.695 . . . . 2.11 110.332 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' 2101 ' ' GLU . 51.1 m-20 -64.35 -48.68 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.792 0.329 . . . . 0.4 110.336 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.8 m -61.62 -41.78 97.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.33 110.58 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 2102 ' ' LEU . 7.4 mp -60.55 -50.97 71.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.784 -0.644 . . . . 1.47 110.852 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.417 HG23 ' O ' ' A' 2112 ' ' LEU . 84.7 m -57.07 -41.39 78.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.255 0.55 . . . . 0.67 110.87 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.2 t60 -59.77 -49.84 76.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.398 -0.819 . . . . 1.29 110.918 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -71.89 -44.78 63.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.455 -0.793 . . . . 0.4 113.037 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.503 HG22 ' SD ' ' A' 2049 ' ' MET . 65.5 p -80.73 -26.73 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.163 0.506 . . . . 0.33 110.681 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.89 2.5 90.66 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.822 -0.704 . . . . 0.36 112.233 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.85 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -90.25 -159.46 0.61 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.733 0.778 . . . . 0.47 110.45 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -131.15 123.83 29.38 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.029 -1.441 . . . . 0.43 109.084 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 54.0 mt -135.42 147.83 63.54 Favored Pre-proline 0 C--N 1.311 -1.081 0 CA-C-N 115.032 -0.986 . . . . 1.25 110.7 -171.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.419 ' HD2' HD13 ' A' 2118 ' ' LEU . 85.2 Cg_endo -80.87 157.74 20.98 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.501 2.801 . . . . 0.33 112.312 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.501 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -77.74 0.54 9.72 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.352 2.035 . . . . 0.46 111.382 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 11.0 p -101.52 1.84 38.46 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.457 -0.792 . . . . 0.36 110.944 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' 2115 ' ' PRO . 14.5 tp -44.66 -57.39 3.7 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.669 0.788 . . . . 0.79 112.645 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' 2099 ' ' ALA . 20.6 mm -59.27 -23.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.248 -0.887 . . . . 0.28 111.478 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -90.2 -30.01 17.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.02 0.438 . . . . 0.38 111.35 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -77.89 -34.73 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.794 -0.639 . . . . 1.34 110.496 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2122 ' ' HIS . . . . . 0.449 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 78.5 m-70 -138.21 80.35 28.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.382 -0.826 . . . . 0.43 109.216 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' 2124 ' ' THR . 18.8 Cg_endo -91.63 102.03 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.047 0 C-N-CA 121.844 1.696 . . . . 0.25 111.967 -174.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.722 HG23 ' O ' ' A' 2123 ' ' PRO . 2.6 p 167.24 152.79 0.1 Allowed Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 127.974 2.51 . . . . 0.13 104.713 161.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.459 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -55.6 -36.89 95.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 CA-C-N 121.391 1.532 . . . . 0.14 110.453 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 74.2 t60 -68.3 -43.78 76.91 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.42 111.84 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -56.3 -41.4 75.89 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.094 0.474 . . . . 0.13 110.741 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.452 HD11 HD13 ' A' 2119 ' ' ILE . 38.2 mt -73.14 -29.54 62.95 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.125 -0.489 . . . . 0.14 111.486 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 60.5 m -61.99 -27.54 68.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.538 0.685 . . . . 0.24 109.254 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.2 mt-30 -80.82 -47.83 13.3 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.354 -0.839 . . . . 1.66 110.198 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' 2135 ' ' ARG . 38.6 t-80 -67.51 -50.85 56.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.339 -0.391 . . . . 0.35 111.804 -176.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.45 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.8 mm? -62.75 -29.81 70.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.647 0.24 . . . . 1.13 111.647 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -67.67 -37.91 83.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.864 -0.791 . . . . 0.31 108.864 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 61.3 m -68.27 -36.09 78.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.267 -0.878 . . . . 0.36 111.125 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.642 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.1 mmm180 -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 1.64 111.118 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.85 HD23 HD21 ' A' 2112 ' ' LEU . 97.4 mt -73.26 -14.76 61.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.481 0.919 . . . . 0.97 113.481 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.0 p -110.57 -56.09 2.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.68 111.373 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.54 141.36 29.93 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.506 -0.77 . . . . 1.96 110.195 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 7.8 m -132.51 157.69 44.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.302 -0.408 . . . . 3.1 110.581 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 44.3 m80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.427 -0.797 . . . . 6.9 110.01 178.694 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.795 -0.522 . . . . 6.15 111.795 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.46 ' O ' ' HA3' ' A' 2111 ' ' GLY . 32.1 t -71.97 -40.78 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.064 0.459 . . . . 6.22 109.826 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -139.64 146.26 39.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 3.33 109.96 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.558 ' C ' ' H ' ' A' 2051 ' ' LEU . 24.7 ttp -90.88 28.88 1.45 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.048 0.928 . . . . 2.18 109.55 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' 2052 ' ' ASN . 0.0 OUTLIER -62.34 6.87 0.07 Allowed 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 114.091 -1.413 . . . . 9.04 112.785 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.558 ' H ' ' C ' ' A' 2049 ' ' MET . 14.6 mt -21.08 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 128.615 2.766 . . . . 2.25 118.003 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' 2050 ' ' ARG . 93.2 m-20 -44.1 142.48 1.42 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.16 0.505 . . . . 4.07 111.055 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.73 -28.42 10.03 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.901 -0.879 . . . . 1.88 110.901 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.51 ' HG ' ' HB3' ' A' 2058 ' ' GLN . 1.1 mp -81.05 142.46 33.33 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.011 -0.366 . . . . 1.6 110.011 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 49.1 m -66.7 142.81 97.76 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.203 -1.036 . . . . 1.18 108.203 168.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.678 ' O ' ' HG3' ' A' 2060 ' ' GLN . 68.5 Cg_exo -38.21 -48.23 2.33 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 123.571 2.847 . . . . 0.86 113.568 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.93 -37.68 88.29 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.129 0.268 . . . . 1.95 111.462 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.51 ' HB3' ' HG ' ' A' 2054 ' ' LEU . 80.9 mm-40 -57.9 -51.34 70.01 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.474 0.654 . . . . 1.6 109.617 174.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' 2062 ' ' THR . 5.4 mm-40 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.534 -1.212 . . . . 1.5 111.246 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.678 ' HG3' ' O ' ' A' 2056 ' ' PRO . 58.8 mt-30 -56.36 -60.03 4.1 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.355 177.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.624 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 79.9 mt-30 -54.41 -35.04 62.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.795 0.331 . . . . 1.32 111.827 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' 2059 ' ' GLN . 95.8 m -53.9 -55.29 28.23 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.839 -0.618 . . . . 0.77 111.025 171.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.64 -20.06 43.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.699 0.762 . . . . 1.32 109.73 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2064 ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.42 -46.9 68.65 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.279 -1.328 . . . . 0.51 108.613 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.2 m -66.85 -36.74 83.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.982 -1.463 . . . . 0.41 110.305 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -57.64 11.97 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.099 -0.704 . . . . 1.35 109.099 177.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 2063 ' ' LEU . 55.2 t -54.03 -47.82 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.15 -0.932 . . . . 0.22 110.972 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.03 -51.79 68.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.164 -0.926 . . . . 0.17 111.855 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.513 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -33.58 74.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.23 111.115 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.36 81.06 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.82 -0.627 . . . . 0.24 109.984 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.748 ' O ' ' HG ' ' A' 2075 ' ' LEU . 10.0 t -85.28 -23.44 28.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 120.068 -0.653 . . . . 0.28 110.573 -174.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.654 ' O ' ' HB3' ' A' 2077 ' ' HIS . . . -56.58 -39.95 74.4 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.677 -0.49 . . . . 0.31 109.677 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.2 m -70.08 -41.86 73.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.545 0.688 . . . . 0.46 110.234 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -66.39 -38.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.261 -0.881 . . . . 0.56 113.201 -175.462 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2071 ' ' THR . 24.4 mt -80.01 -11.44 59.78 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.916 0.339 . . . . 0.74 111.916 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.88 74.35 0.8 Allowed Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.283 -1.927 . . . . 0.93 108.283 -168.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' 2072 ' ' ALA . 55.3 t-80 -159.28 -47.39 0.05 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.162 0.506 . . . . 0.97 111.129 -153.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 60.0 m-70 70.28 -49.59 0.65 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.018 1.118 . . . . 1.56 114.018 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 15.3 p -75.22 125.06 89.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 C-N-CA 120.165 -0.614 . . . . 1.82 112.568 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.513 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -83.26 -22.99 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.73 2.953 . . . . 0.51 110.726 173.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.07 -20.64 60.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.928 -1.033 . . . . 1.54 110.729 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.7 t -102.65 21.98 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.785 0.803 . . . . 0.63 109.883 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.583 HD12 HG23 ' A' 2071 ' ' THR . 12.5 mm -95.35 106.43 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.235 -0.893 . . . . 0.25 109.763 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 68.2 m -75.28 113.03 21.55 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 120.692 0.282 . . . . 0.28 110.588 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.544 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.86 -26.11 38.46 Favored 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.584 2.189 . . . . 0.15 112.631 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.16 59.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.599 -0.728 . . . . 0.14 111.472 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.48 ' O ' HG22 ' A' 2124 ' ' THR . 28.6 m -76.87 147.52 37.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.061 -0.718 . . . . 0.16 109.061 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.14 143.35 28.88 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.444 -0.798 . . . . 0.15 110.102 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.516 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.4 m-85 -43.01 -41.15 3.32 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 124.065 0.853 . . . . 0.12 111.786 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.49 -64.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 1.69 111.433 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.589 -0.732 . . . . 2.27 112.153 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.31 -16.69 39.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.399 . . . . 0.24 111.853 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.63 9.71 7.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.206 -0.997 . . . . 0.2 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2119 ' ' ILE . 0.3 OUTLIER -69.29 126.54 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.448 0.642 . . . . 0.32 112.059 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -95.9 165.92 12.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.973 -1.121 . . . . 1.86 107.973 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.1 t -63.69 -30.5 71.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.897 0.772 . . . . 1.32 110.549 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' 2101 ' ' GLU . 53.3 mt -68.61 -51.12 45.79 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.567 0.699 . . . . 1.61 109.757 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.713 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -70.31 -25.87 63.51 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 0.19 112.411 178.306 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.66 -23.1 64.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.886 0.85 . . . . 0.24 109.311 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.13 -37.99 13.83 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.781 -1.099 . . . . 1.15 108.976 178.439 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' 2104 ' ' ASN . 28.3 mt-10 -67.03 -35.48 79.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.46 111.089 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' 2106 ' ' LEU . 5.1 tp -58.94 -59.47 5.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.14 0.495 . . . . 1.13 111.201 176.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -53.93 -34.68 60.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.101 -0.954 . . . . 2.11 110.345 177.198 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -56.03 -50.88 69.68 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.34 -0.391 . . . . 0.4 110.759 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.0 m -69.85 -41.84 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.396 -0.366 . . . . 0.33 111.198 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 2102 ' ' LEU . 78.1 mt -64.97 -49.06 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 1.47 111.278 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.78 -27.79 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.163 0.506 . . . . 0.67 110.241 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.4 t60 -71.17 -48.29 52.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 1.29 110.343 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.38 -43.56 77.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.069 -0.969 . . . . 0.4 112.332 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.567 ' HB ' HD21 ' A' 2136 ' ' LEU . 62.5 p -76.27 -23.69 54.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.516 0.674 . . . . 0.33 109.243 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2111 ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' 2047 ' ' SER . . . 82.4 5.54 89.47 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.91 -1.041 . . . . 0.36 112.315 175.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.915 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -95.83 -159.63 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.468 0.651 . . . . 0.47 110.018 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -133.51 123.41 25.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.782 -1.099 . . . . 0.43 109.526 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.524 HD13 HD11 ' A' 2118 ' ' LEU . 66.0 mt -132.22 151.02 77.61 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 114.968 -1.015 . . . . 1.25 111.368 -169.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -78.85 156.0 27.0 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.957 2.438 . . . . 0.33 111.68 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.6 Cg_endo -76.68 2.95 6.89 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.167 1.911 . . . . 0.46 111.582 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 14.4 p -99.49 -2.15 36.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.6 -0.727 . . . . 0.36 112.023 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.524 HD11 HD13 ' A' 2114 ' ' LEU . 20.3 mt -38.38 -62.81 0.55 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.61 0.719 . . . . 0.79 112.482 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2094 ' ' ILE . 6.8 mm -57.32 -25.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.769 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -86.13 -36.86 19.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.113 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.59 -32.3 41.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.862 -0.608 . . . . 1.34 111.404 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2122 ' ' HIS . . . . . 0.402 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 71.8 m-70 -137.3 77.2 42.1 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.845 -0.798 . . . . 0.43 108.845 -177.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.714 ' O ' HG23 ' A' 2124 ' ' THR . 17.8 Cg_endo -92.08 102.29 0.2 Allowed 'Trans proline' 0 N--CA 1.435 -1.964 0 C-N-CA 121.778 1.652 . . . . 0.25 112.193 -173.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.714 HG23 ' O ' ' A' 2123 ' ' PRO . 1.7 p 168.11 152.66 0.12 Allowed Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 127.74 2.416 . . . . 0.13 105.344 163.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 53.2 Cg_exo -55.07 -36.3 92.5 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 CA-C-N 121.183 1.458 . . . . 0.14 110.185 171.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.0 t60 -68.62 -44.98 73.11 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.42 112.056 178.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.58 -39.75 71.1 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.344 0.52 . . . . 0.13 110.597 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.426 ' HB3' HD23 ' A' 2132 ' ' LEU . 38.4 mt -74.79 -28.93 60.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.14 111.561 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.507 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 30.0 m -60.05 -30.58 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.919 0.866 . . . . 0.24 109.004 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 3.5 mt-30 -80.51 -49.01 11.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.842 -1.072 . . . . 1.66 110.16 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 83.2 t60 -64.54 -51.54 62.33 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.263 -0.426 . . . . 0.35 111.545 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.0 mm? -63.43 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.032 -0.267 . . . . 1.13 111.522 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -68.97 -36.8 78.3 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.209 -0.663 . . . . 0.31 109.209 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.6 m -66.37 -50.08 64.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.581 -0.736 . . . . 0.36 110.048 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.599 ' HB3' HD13 ' A' 2112 ' ' LEU . 21.2 mmm180 -54.77 -49.52 70.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 1.64 112.138 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.915 HD23 HD21 ' A' 2112 ' ' LEU . 94.9 mt -62.52 -36.04 81.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.32 0.489 . . . . 0.97 112.32 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.2 p -90.78 -28.24 18.38 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.322 -0.399 . . . . 0.68 111.735 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -81.67 108.15 15.0 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.404 -0.362 . . . . 1.96 110.771 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.466 ' HB3' ' NH1' ' A' 2050 ' ' ARG . 46.7 t 174.0 143.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.71 0.631 . . . . 3.1 109.663 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.487 -0.768 . . . . 6.9 109.981 179.465 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 47.1 Cg_exo . . . . . 0 N--CA 1.466 -0.105 0 N-CA-C 113.881 0.685 . . . . 0.86 113.881 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.11 -39.94 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.062 0.226 . . . . 1.95 111.347 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -55.2 -45.65 75.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.235 0.54 . . . . 1.6 109.821 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.506 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.2 mt-30 -63.73 -45.85 88.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.316 -0.857 . . . . 1.5 110.947 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.4 mt-30 -56.92 -60.61 3.32 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.392 -0.367 . . . . 0.95 110.629 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.8 mt-30 -52.95 -35.43 58.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.975 0.416 . . . . 1.32 111.794 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' 2059 ' ' GLN . 99.3 m -56.25 -54.13 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.77 111.353 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -81.44 -18.01 46.81 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.836 0.827 . . . . 1.32 109.74 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.68 -49.08 64.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.071 -1.422 . . . . 0.51 108.417 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 95.3 m -61.01 -37.63 83.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.98 -1.464 . . . . 0.41 110.296 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' 2109 ' ' ASN . 0.0 OUTLIER -58.52 -58.25 9.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.831 -0.803 . . . . 1.35 108.831 176.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2063 ' ' LEU . 52.6 t -53.13 -44.68 52.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.294 -0.866 . . . . 0.22 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.22 -53.36 50.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.17 111.595 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.69 -28.94 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 0.23 110.774 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.81 82.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.641 -0.708 . . . . 0.24 110.402 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.83 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.62 -26.97 24.12 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.934 -0.706 . . . . 0.28 109.991 -176.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.559 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -49.54 -47.95 48.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.873 -0.788 . . . . 0.31 108.873 167.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.46 111.402 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.5 -40.56 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -177.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.83 ' HG ' ' O ' ' A' 2071 ' ' THR . 10.3 mt -80.07 -37.29 34.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.74 109.773 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.39 12.01 16.29 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.799 -0.715 . . . . 0.93 113.159 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 13.4 p80 -100.17 -7.31 24.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.228 0.514 . . . . 0.97 111.321 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.559 ' C ' ' HB1' ' A' 2072 ' ' ALA . 95.1 m-70 70.86 -31.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.126 1.528 . . . . 1.56 115.126 166.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.8 p -81.38 126.08 77.32 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 118.966 0.803 . . . . 1.82 113.016 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.9 Cg_exo -85.22 -13.24 6.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.631 2.887 . . . . 0.51 111.205 173.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.19 -18.73 38.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 1.54 110.538 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 18.6 t -92.81 21.61 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.697 . . . . 0.63 110.086 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.498 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -105.77 108.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.486 -0.779 . . . . 0.25 110.275 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 48.5 m -86.03 115.57 62.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.346 -0.388 . . . . 0.28 110.678 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.82 -28.12 51.28 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 C-N-CA 122.797 2.331 . . . . 0.15 112.929 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.54 -23.32 40.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.731 -0.668 . . . . 0.14 110.877 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.465 ' O ' HG22 ' A' 2124 ' ' THR . 39.0 m -80.26 146.83 31.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.934 -0.765 . . . . 0.16 108.934 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.55 145.54 27.33 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 0.15 109.596 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.1 m-85 -50.8 -35.28 31.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.58 -0.736 . . . . 0.12 111.904 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.539 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.1 -64.66 0.73 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.091 0.472 . . . . 1.69 110.575 171.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -60.06 -24.36 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.271 -0.877 . . . . 2.27 111.325 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' 2075 ' ' LEU . 88.2 mt -80.52 -12.64 59.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.995 -0.548 . . . . 0.24 112.085 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.6 2.65 14.76 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.247 -0.978 . . . . 0.2 114.3 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.7 mm -64.68 130.72 30.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.203 0.816 . . . . 0.32 113.203 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -103.69 171.57 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.918 -1.037 . . . . 1.86 108.629 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 34.5 p -57.86 -41.69 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.451 0.569 . . . . 1.32 111.092 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' A' 2101 ' ' GLU . 14.1 tp -60.86 -55.68 30.17 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.954 -0.566 . . . . 1.61 110.59 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.43 ' CG2' HG13 ' A' 2074 ' ' VAL . 0.2 OUTLIER -68.1 -25.78 65.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 113.164 0.802 . . . . 0.19 113.164 -178.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.46 -24.28 65.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.894 0.854 . . . . 0.24 109.308 170.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -39.16 12.41 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.942 -1.026 . . . . 1.15 109.175 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.8 mt-10 -66.27 -34.92 79.09 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.808 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.8 tp -65.82 -52.38 51.12 Favored 'General case' 0 N--CA 1.418 -2.05 0 CA-C-O 121.472 0.653 . . . . 1.13 109.628 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -48.56 -41.32 30.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 2.11 110.755 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.9 m-20 -58.63 -49.51 77.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.4 110.793 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 39.7 m -65.75 -48.17 72.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.423 -0.353 . . . . 0.33 111.561 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' 2106 ' ' LEU . 2.0 mm? -59.82 -49.97 75.64 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 111.933 0.346 . . . . 1.47 111.933 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -28.44 69.86 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.18 0.515 . . . . 0.67 110.329 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.5 t60 -73.54 -48.45 32.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.521 -0.763 . . . . 1.29 110.535 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' 2066 ' ' LEU . 9.6 m-80 -67.51 -44.61 78.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.119 -0.946 . . . . 0.4 112.402 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.484 ' HB ' HD21 ' A' 2136 ' ' LEU . 58.6 p -74.01 -25.49 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.772 0.796 . . . . 0.33 109.377 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.24 5.05 87.7 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.039 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.802 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -96.44 -160.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.406 0.622 . . . . 0.47 110.157 -178.15 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -135.19 120.41 18.91 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.109 -0.951 . . . . 0.43 109.694 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 71.4 mt -129.4 157.4 76.38 Favored Pre-proline 0 C--N 1.306 -1.312 0 CA-C-N 114.502 -1.226 . . . . 1.25 110.886 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.594 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.1 Cg_endo -80.68 149.95 18.66 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 123.017 2.478 . . . . 0.33 111.972 176.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.88 5.05 2.73 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.251 1.967 . . . . 0.46 111.598 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 21.1 p -101.42 0.38 36.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.646 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2115 ' ' PRO . 56.1 mt -38.02 -62.86 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.734 0.778 . . . . 0.79 112.094 173.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.534 HG13 ' HA ' ' A' 2099 ' ' ALA . 7.9 mm -60.05 -21.95 23.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 113.826 -1.533 . . . . 0.28 111.748 -174.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -90.73 -34.66 15.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.383 -0.371 . . . . 0.38 111.778 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.73 -32.72 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 1.34 111.333 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -129.5 71.04 82.13 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 108.583 -0.895 . . . . 0.43 108.583 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.664 ' O ' HG23 ' A' 2124 ' ' THR . 28.5 Cg_endo -91.9 102.89 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.045 0 C-N-CA 121.878 1.719 . . . . 0.25 112.438 -171.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.664 HG23 ' O ' ' A' 2123 ' ' PRO . 1.5 p 167.2 155.54 0.12 Allowed Pre-proline 0 C--N 1.321 -0.638 0 C-N-CA 127.546 2.339 . . . . 0.13 105.359 161.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 44.0 Cg_exo -55.18 -39.55 90.39 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 121.276 1.492 . . . . 0.14 109.999 172.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' A' 2130 ' ' GLN . 60.0 t60 -62.04 -48.65 79.29 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.029 -0.532 . . . . 0.42 111.58 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -54.63 -41.36 69.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.144 0.497 . . . . 0.13 110.951 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' 2089 ' ' PHE . 52.3 mt -76.9 -32.85 57.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.157 -0.474 . . . . 0.14 111.731 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.404 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 89.4 m -58.18 -31.96 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.954 0.883 . . . . 0.24 108.936 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.7 mm100 -80.38 -42.94 21.92 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.785 -1.098 . . . . 1.66 111.058 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -63.59 -52.76 59.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.412 0.153 . . . . 0.35 111.412 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.5 mm? -63.18 -34.76 78.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.744 -0.207 . . . . 1.13 111.518 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -66.69 -37.05 83.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.342 -0.614 . . . . 0.31 109.342 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.4 m -63.41 -52.34 61.96 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.775 -0.648 . . . . 0.36 110.25 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.7 mmm180 -51.71 -48.56 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.841 0.682 . . . . 1.64 112.841 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.802 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -70.35 -31.95 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.37 0.507 . . . . 0.97 112.37 -175.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.051 0.453 . . . . 0.68 110.985 -177.257 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.677 ' O ' ' HG3' ' A' 2060 ' ' GLN . 48.0 Cg_exo . . . . . 0 N--CA 1.462 -0.343 0 N-CA-C 113.529 0.55 . . . . 0.86 113.529 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 59.8 tt0 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.556 0.206 . . . . 1.95 111.556 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -61.0 -42.7 98.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.325 0.583 . . . . 1.6 109.554 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.518 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.2 mt-30 -63.39 -39.07 93.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.25 -0.886 . . . . 1.5 110.67 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.677 ' HG3' ' O ' ' A' 2056 ' ' PRO . 48.3 mt-30 -58.24 -60.93 3.0 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 110.197 -0.297 . . . . 0.95 110.197 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 75.3 mt-30 -51.24 -34.75 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.506 0.504 . . . . 1.32 111.9 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.4 m -57.08 -51.64 68.46 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.557 -0.747 . . . . 0.77 111.286 173.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 7.4 mt -78.41 -22.06 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.783 0.802 . . . . 1.32 109.323 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.88 -49.64 65.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.104 -1.407 . . . . 0.51 108.363 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 90.1 m -66.6 -35.3 79.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.861 -1.518 . . . . 0.41 110.427 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.642 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 15.3 tp -58.92 -62.88 1.55 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.612 -0.722 . . . . 1.35 110.449 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.466 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.5 t -53.79 -41.91 49.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.18 -1.373 . . . . 0.22 110.935 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.533 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.65 -51.07 68.69 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.002 -0.999 . . . . 0.17 111.41 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.483 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.95 -28.08 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.13 0.491 . . . . 0.23 110.876 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.44 74.34 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.765 -0.652 . . . . 0.24 110.395 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.784 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.4 t -87.82 -22.99 24.17 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.953 -0.699 . . . . 0.28 109.863 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -51.79 -44.82 63.58 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.66 -0.867 . . . . 0.31 108.66 165.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.3 m -70.15 -52.09 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.338 -0.846 . . . . 0.46 110.765 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.704 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -58.53 -41.68 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 113.408 0.892 . . . . 0.56 113.408 -175.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.8 mt -82.52 -18.9 39.9 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-O 121.274 0.559 . . . . 0.74 110.215 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 87.69 39.38 7.15 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.556 -0.747 . . . . 0.93 113.499 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 11.8 p80 -125.38 -7.83 6.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.288 0.544 . . . . 0.97 111.414 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.484 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.2 m-70 69.97 -23.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.627 1.714 . . . . 1.56 115.627 166.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.8 p -89.54 124.51 64.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 119.311 0.96 . . . . 1.82 113.064 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.483 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.87 -15.85 5.6 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.868 3.046 . . . . 0.51 111.177 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.17 -19.82 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 1.54 110.523 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 16.1 t -94.5 21.63 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 0.63 110.195 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.549 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -103.22 117.12 48.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.653 -0.703 . . . . 0.25 110.277 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 36.5 m -84.48 108.79 15.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.202 -0.454 . . . . 0.28 110.282 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.437 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.2 Cg_endo -66.78 -28.52 43.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.444 2.096 . . . . 0.15 112.484 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.01 57.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.654 -0.703 . . . . 0.14 111.273 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.3 m -75.39 148.13 39.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.085 -0.709 . . . . 0.16 109.085 175.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.52 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.12 144.44 29.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.222 -0.899 . . . . 0.15 109.861 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.518 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.8 m-85 -48.09 -39.44 20.3 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.705 0.628 . . . . 0.12 111.986 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.29 -65.48 0.56 Allowed 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 123.718 0.636 . . . . 1.69 110.675 175.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.28 -28.26 66.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.085 -0.961 . . . . 2.27 111.206 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.466 HD21 ' HB ' ' A' 2087 ' ' THR . 88.7 mt -73.6 -14.87 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.24 112.618 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.65 8.08 11.35 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.847 -1.168 . . . . 0.2 113.35 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -74.8 127.72 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.364 0.602 . . . . 0.32 112.253 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.74 -178.65 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.86 109.446 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 6.5 p -63.57 -43.22 97.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 1.32 110.914 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.6 tp -59.99 -56.71 18.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.432 -0.804 . . . . 1.61 110.616 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.504 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.84 -25.66 64.76 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 113.151 0.797 . . . . 0.19 113.151 -178.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.533 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -24.48 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.903 0.859 . . . . 0.24 109.374 170.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.7 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.98 -40.12 11.85 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.631 -1.168 . . . . 1.15 109.191 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.1 mt-10 -66.77 -33.09 74.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.171 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' 2106 ' ' LEU . 13.9 tp -65.06 -55.61 17.85 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 116.175 -0.466 . . . . 1.13 110.658 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.7 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -57.47 -30.96 65.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.431 -0.804 . . . . 2.11 110.55 176.111 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' 2101 ' ' GLU . 87.5 m-20 -58.93 -54.21 49.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.036 0.446 . . . . 0.4 110.29 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 35.2 m -63.0 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.33 110.725 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.1 mt -64.46 -50.22 68.35 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.273 -0.421 . . . . 1.47 111.174 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' 2103 ' ' ARG . 0.4 OUTLIER -60.92 -29.22 69.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.331 0.586 . . . . 0.67 110.327 -178.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.27 -46.11 57.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.709 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -73.17 -34.6 66.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.19 -0.913 . . . . 0.4 112.484 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.592 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 55.3 p -86.26 -26.81 24.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.361 0.6 . . . . 0.33 110.757 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.19 4.62 89.83 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.412 -0.813 . . . . 0.36 111.093 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.61 HD21 HD13 ' A' 2136 ' ' LEU . 6.8 mt -91.8 -174.6 3.88 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.653 0.74 . . . . 0.47 110.557 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -128.42 116.05 19.16 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.474 -1.239 . . . . 0.43 109.68 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' 2118 ' ' LEU . 2.8 mm? -120.19 152.52 54.71 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 114.254 -1.339 . . . . 1.25 110.94 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -75.91 158.5 38.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.251 2.634 . . . . 0.33 111.907 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.4 Cg_endo -76.19 2.3 7.35 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.237 1.958 . . . . 0.46 111.195 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.9 p -102.89 4.15 37.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.534 -0.757 . . . . 0.36 111.919 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' 2103 ' ' ARG . 12.2 mt -41.05 -64.16 0.58 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.451 0.643 . . . . 0.79 112.438 174.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2094 ' ' ILE . 8.7 mm -55.97 -24.55 17.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.151 -1.386 . . . . 0.28 111.74 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -88.53 -28.54 20.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.095 -0.502 . . . . 0.38 111.57 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.32 -36.89 14.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.245 0.545 . . . . 1.34 111.005 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -130.68 77.82 74.98 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.472 -0.936 . . . . 0.43 108.472 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' 2124 ' ' THR . 32.9 Cg_endo -91.98 102.47 0.21 Allowed 'Trans proline' 0 N--CA 1.436 -1.902 0 C-N-CA 121.755 1.637 . . . . 0.25 112.412 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.719 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 155.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 127.694 2.397 . . . . 0.13 105.344 161.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.402 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 49.2 Cg_exo -55.39 -38.39 93.92 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.38 1.529 . . . . 0.14 110.228 171.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.576 ' O ' ' HG3' ' A' 2130 ' ' GLN . 53.1 t60 -64.27 -46.94 81.52 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.42 111.731 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.29 74.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.985 0.422 . . . . 0.13 111.328 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.43 HD11 HD13 ' A' 2119 ' ' ILE . 42.2 mt -75.23 -32.09 61.04 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 116.437 -0.347 . . . . 0.14 111.451 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 95.0 m -57.2 -30.91 64.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.555 0.693 . . . . 0.24 109.23 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -77.01 -49.05 16.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.016 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.554 ' O ' ' HG2' ' A' 2135 ' ' ARG . 76.7 t60 -65.14 -52.36 55.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 0.35 111.749 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.8 mm? -60.88 -32.97 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.084 -0.247 . . . . 1.13 111.202 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -64.16 -37.9 89.13 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.349 0.595 . . . . 0.31 109.428 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 49.8 m -68.57 -33.91 74.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.092 -0.958 . . . . 0.36 110.933 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.57 ' CB ' HD13 ' A' 2112 ' ' LEU . 14.3 mmm180 -68.53 -42.63 78.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.898 0.332 . . . . 1.64 111.898 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.61 HD13 HD21 ' A' 2112 ' ' LEU . 3.6 mm? -68.79 -37.92 79.62 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.074 0.464 . . . . 0.97 111.984 176.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.68 112.385 -169.398 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.9 Cg_exo . . . . . 0 N--CA 1.462 -0.342 0 N-CA-C 114.295 0.844 . . . . 0.86 114.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.03 -36.19 81.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.702 0.287 . . . . 1.95 110.668 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -58.16 -38.96 77.63 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.255 0.55 . . . . 1.6 110.147 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.489 ' O ' ' HB ' ' A' 2062 ' ' THR . 53.9 mt-30 -71.09 -43.01 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.529 -0.759 . . . . 1.5 110.75 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.9 mt-30 -59.51 -61.29 2.74 Favored 'General case' 0 C--O 1.205 -1.257 0 CA-C-N 116.277 -0.42 . . . . 0.95 111.11 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 91.0 mt-30 -48.23 -35.19 11.48 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.485 0.491 . . . . 1.32 111.903 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 2059 ' ' GLN . 89.0 m -58.79 -57.09 14.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.447 -0.797 . . . . 0.77 111.409 173.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 4.2 pp -76.65 -19.09 58.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.827 0.822 . . . . 1.32 109.592 -176.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.44 -50.52 63.1 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.093 -1.412 . . . . 0.51 108.422 175.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.8 m -65.63 -33.19 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.915 -1.493 . . . . 0.41 110.3 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.0 tp -60.67 -61.62 2.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 1.35 110.75 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2063 ' ' LEU . 58.1 t -50.1 -45.11 23.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.886 -1.052 . . . . 0.22 110.768 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.553 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.39 -47.44 86.07 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.843 -1.071 . . . . 0.17 111.429 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.54 -30.45 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.23 111.18 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -64.72 -45.87 84.7 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.877 -0.602 . . . . 0.24 109.735 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.733 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.6 t -87.39 -25.9 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.154 -0.618 . . . . 0.28 111.235 -176.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -52.26 -42.83 64.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.73 -0.841 . . . . 0.31 108.73 167.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.9 m -75.38 -48.83 21.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.412 -0.813 . . . . 0.46 111.099 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.1 -40.55 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 113.119 0.785 . . . . 0.56 113.119 -175.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.4 mt -83.56 -14.21 52.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.346 0.593 . . . . 0.74 110.156 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.28 38.59 25.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.93 112.91 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.42 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.2 p80 -121.51 -15.68 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.179 0.49 . . . . 0.97 111.274 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.443 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.4 m-70 66.07 -178.74 0.2 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.371 -0.831 . . . . 1.56 111.266 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 25.6 p 54.09 115.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 114.528 1.307 . . . . 1.82 114.528 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.2 Cg_exo -80.99 -16.69 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.459 3.439 . . . . 0.51 111.085 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -78.89 -17.58 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.386 -0.825 . . . . 1.54 109.872 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -93.74 21.51 6.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.63 109.853 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.553 HG13 ' HB1' ' A' 2068 ' ' ALA . 12.5 mm -105.96 122.33 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.25 110.168 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 18.9 m -87.55 110.62 35.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.337 -0.392 . . . . 0.28 110.511 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' A' 2124 ' ' THR . 30.7 Cg_endo -67.63 -26.57 39.47 Favored 'Trans proline' 0 CA--C 1.514 -0.51 0 C-N-CA 122.739 2.293 . . . . 0.15 112.797 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.64 44.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.002 -0.544 . . . . 0.14 111.055 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.446 ' O ' HG22 ' A' 2124 ' ' THR . 28.0 m -75.95 145.75 40.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.2 -0.667 . . . . 0.16 109.2 174.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.63 142.42 32.77 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.194 -0.912 . . . . 0.15 109.082 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' 2092 ' ' LEU . 35.0 m-85 -47.27 -37.62 11.02 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.004 0.815 . . . . 0.12 111.774 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.548 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.27 -65.64 0.53 Allowed 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.551 0.532 . . . . 1.69 110.776 174.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.426 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.6 t70 -56.0 -31.68 63.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.447 -0.797 . . . . 2.27 111.108 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 2089 ' ' PHE . 81.8 mt -69.54 -17.43 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.624 -0.716 . . . . 0.24 111.973 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.67 -1.26 11.15 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.511 -0.852 . . . . 0.2 113.416 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2119 ' ' ILE . 5.7 mm -64.32 132.47 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.984 0.735 . . . . 0.32 112.984 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.45 165.45 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.791 -1.095 . . . . 1.86 108.253 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 27.9 t -53.54 -35.13 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 118.706 0.685 . . . . 1.32 111.551 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.7 mt -67.49 -53.74 26.14 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.246 0.546 . . . . 1.61 110.092 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.687 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.85 -26.27 65.06 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.19 112.303 178.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.57 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.28 -24.41 64.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.887 0.851 . . . . 0.24 109.405 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -37.49 14.07 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.633 -1.167 . . . . 1.15 109.005 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' 2097 ' ' LEU . 26.9 mt-10 -66.19 -36.96 84.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.988 -0.551 . . . . 0.46 111.315 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 11.1 mt -54.61 -62.09 1.88 Allowed 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.219 0.533 . . . . 1.13 109.685 173.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -48.81 -39.74 26.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.232 -1.349 . . . . 2.11 111.171 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -57.15 -53.1 61.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.4 111.314 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 99.8 m -71.51 -40.23 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 0.33 111.19 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' 2107 ' ' THR . 0.6 OUTLIER -72.45 -42.92 64.46 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 123.439 0.695 . . . . 1.47 112.01 -174.188 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.498 ' N ' HD23 ' A' 2106 ' ' LEU . 1.3 t -69.69 -27.04 64.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.307 -0.627 . . . . 0.67 109.307 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.03 -52.71 32.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.255 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -63.29 -37.33 86.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.256 -0.883 . . . . 0.4 112.661 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.578 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.5 p -83.02 -19.08 37.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.46 0.648 . . . . 0.33 110.298 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 73.08 6.71 69.17 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.265 -0.879 . . . . 0.36 111.307 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.578 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.6 mt -86.99 -171.85 3.7 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.613 0.72 . . . . 0.47 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.9 t70 -134.26 109.7 9.03 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.589 -1.187 . . . . 0.43 109.941 174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' 2112 ' ' LEU . 2.7 mm? -121.88 154.24 60.76 Favored Pre-proline 0 C--N 1.298 -1.645 0 CA-C-N 113.718 -1.583 . . . . 1.25 111.123 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.636 ' O ' ' HG ' ' A' 2118 ' ' LEU . 87.8 Cg_endo -77.03 152.2 31.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 123.134 2.556 . . . . 0.33 111.487 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.5 -7.01 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.214 1.943 . . . . 0.46 111.389 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -91.24 4.26 52.74 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.36 111.748 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.7 mt -39.36 -61.31 0.8 Allowed 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.968 0.889 . . . . 0.79 111.306 171.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -56.18 -25.63 20.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.362 -1.745 . . . . 0.28 111.902 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -90.36 -34.51 15.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.856 0.36 . . . . 0.38 111.602 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -85.82 -32.66 21.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.592 0.71 . . . . 1.34 110.744 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -132.15 75.93 73.98 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 108.279 -1.008 . . . . 0.43 108.279 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.707 ' O ' HG23 ' A' 2124 ' ' THR . 32.4 Cg_endo -91.55 102.96 0.23 Allowed 'Trans proline' 0 N--CA 1.436 -1.862 0 C-N-CA 121.403 1.402 . . . . 0.25 112.74 -171.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.707 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 166.82 158.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 127.944 2.498 . . . . 0.13 105.146 158.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.422 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.1 Cg_exo -55.75 -37.89 95.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 CA-C-N 121.405 1.538 . . . . 0.14 110.113 170.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.475 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 53.5 t60 -67.64 -42.0 82.95 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.728 -0.669 . . . . 0.42 112.03 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.5 80.52 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.105 0.479 . . . . 0.13 110.615 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.542 HD11 HD13 ' A' 2119 ' ' ILE . 46.9 mt -75.46 -26.72 58.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 0.14 111.449 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.487 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 31.9 m -60.47 -28.83 68.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.648 0.737 . . . . 0.24 109.118 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.26 -53.15 6.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.205 -0.907 . . . . 1.66 110.665 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -61.45 -49.98 74.63 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.159 0.429 . . . . 0.35 112.159 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.41 -28.58 68.03 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.991 -0.284 . . . . 1.13 111.415 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -67.19 -45.03 78.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.756 -0.831 . . . . 0.31 108.756 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 84.9 m -58.74 -38.05 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.012 -0.995 . . . . 0.36 111.509 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.517 ' HB3' HD22 ' A' 2112 ' ' LEU . 14.5 mmm180 -63.23 -44.53 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 1.64 111.611 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.517 HD23 HD21 ' A' 2112 ' ' LEU . 90.9 mt -75.13 -32.06 61.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.751 0.648 . . . . 0.97 112.751 -175.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 121.337 0.589 . . . . 0.68 111.925 -174.009 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.699 ' O ' ' HG3' ' A' 2060 ' ' GLN . 33.7 Cg_exo . . . . . 0 N--CA 1.466 -0.144 0 N-CA-C 114.096 0.768 . . . . 0.86 114.096 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.58 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.604 0.24 . . . . 1.95 111.319 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -66.96 -42.01 85.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.08 0.467 . . . . 1.6 110.0 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' 2062 ' ' THR . 45.0 mt-30 -59.89 -41.64 92.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.646 -0.706 . . . . 1.5 109.61 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.699 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.43 -59.05 6.08 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.401 -0.818 . . . . 0.95 110.651 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 78.8 mt-30 -52.17 -34.48 45.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.085 0.469 . . . . 1.32 111.924 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.8 m -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.721 -0.672 . . . . 0.77 111.129 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -78.74 -18.41 54.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.889 0.852 . . . . 1.32 109.29 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.26 -44.22 84.29 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.125 -1.398 . . . . 0.51 108.737 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.7 m -61.95 -39.25 91.46 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 113.873 -1.512 . . . . 0.41 110.132 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -55.81 30.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.536 -0.756 . . . . 1.35 108.996 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 2063 ' ' LEU . 70.5 t -52.04 -47.6 42.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.053 -0.976 . . . . 0.22 111.275 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.4 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -65.57 -49.32 69.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.32 -0.855 . . . . 0.17 111.567 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.39 70.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.177 0.513 . . . . 0.23 110.671 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.04 82.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.531 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.798 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.5 t -86.45 -25.01 25.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.05 -0.66 . . . . 0.28 110.475 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -48.84 -49.23 40.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.13 -0.693 . . . . 0.31 109.13 166.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.6 m -67.73 -49.17 63.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.43 -0.804 . . . . 0.46 110.99 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.75 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.564 0.95 . . . . 0.56 113.564 -175.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -80.31 -16.53 54.41 Favored 'General case' 0 CA--C 1.523 -0.067 0 O-C-N 121.952 -0.467 . . . . 0.74 110.297 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.98 27.01 11.5 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.844 -0.693 . . . . 0.93 113.422 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 5.3 p80 -121.63 1.28 10.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.397 0.598 . . . . 0.97 111.758 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 81.4 m-70 67.66 -54.1 0.49 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.466 1.654 . . . . 1.56 115.466 168.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.513 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 3.5 t -91.73 144.94 30.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.17 -1.012 . . . . 1.82 112.102 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -84.67 -1.62 9.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 124.979 3.786 . . . . 0.51 111.67 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.2 -11.54 59.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.365 -0.834 . . . . 1.54 111.603 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.0 t -118.45 21.68 12.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 0.63 110.538 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.656 HD12 HG23 ' A' 2071 ' ' THR . 23.2 mm -96.13 106.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.25 110.389 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 17.9 m -83.11 112.7 40.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.251 -0.432 . . . . 0.28 110.133 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.58 -27.63 53.46 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 122.593 2.195 . . . . 0.15 112.499 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.09 53.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.481 -0.781 . . . . 0.14 111.2 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.433 ' O ' HG22 ' A' 2124 ' ' THR . 35.4 m -78.48 146.68 34.28 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.546 0.689 . . . . 0.16 109.362 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.43 140.36 34.7 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.968 -1.015 . . . . 0.15 109.419 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.523 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.8 m-85 -46.71 -34.71 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.82 -1.082 . . . . 0.12 112.217 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.59 -64.99 0.64 Allowed 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 123.392 0.433 . . . . 1.69 110.755 173.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.61 -24.74 65.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.577 -0.738 . . . . 2.27 111.343 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2089 ' ' PHE . 85.7 mt -76.32 -14.72 60.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.24 111.903 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.57 11.7 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.21 -0.995 . . . . 0.2 113.825 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2119 ' ' ILE . 2.8 mm -63.78 130.87 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.763 0.653 . . . . 0.32 112.763 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -107.81 175.61 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.919 -0.771 . . . . 1.86 108.919 170.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 14.8 m -60.87 -32.54 71.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.055 0.455 . . . . 1.32 111.223 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' 2101 ' ' GLU . 59.6 mt -70.1 -52.56 22.76 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.917 -0.583 . . . . 1.61 110.11 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.75 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.49 -26.59 63.68 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.631 -0.713 . . . . 0.19 112.619 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.37 -23.64 65.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.025 0.917 . . . . 0.24 109.262 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.619 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.08 -35.95 15.16 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.56 -1.2 . . . . 1.15 109.305 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' 2098 ' ' THR . 25.2 mt-10 -66.01 -38.76 89.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.547 . . . . 0.46 110.782 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' 2071 ' ' THR . 6.3 mt -54.69 -64.82 0.71 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.229 -0.441 . . . . 1.13 111.358 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -49.9 -36.33 26.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.169 -0.923 . . . . 2.11 110.684 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' 2103 ' ' ARG . 18.8 m-20 -60.38 -46.3 90.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.4 111.069 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -72.44 -42.91 64.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 0.33 110.824 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 2102 ' ' LEU . 85.9 mt -67.14 -52.16 45.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 1.47 111.674 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.3 t -65.04 -27.62 68.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.083 0.468 . . . . 0.67 110.106 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -64.66 -55.87 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 1.29 110.405 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.42 -43.68 96.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.79 -1.096 . . . . 0.4 112.597 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.53 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.7 p -75.3 -22.1 57.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.723 0.773 . . . . 0.33 109.79 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.97 3.72 88.23 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.889 -1.051 . . . . 0.36 111.509 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.919 HD21 HD23 ' A' 2136 ' ' LEU . 12.1 mt -83.36 -173.74 4.88 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 114.702 -0.749 . . . . 0.47 111.181 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.01 119.37 27.49 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.164 -1.38 . . . . 0.43 108.872 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2118 ' ' LEU . 63.4 mt -135.44 149.5 69.72 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.765 -1.107 . . . . 1.25 111.275 -170.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.87 158.62 27.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.505 2.803 . . . . 0.33 111.96 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.478 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.9 Cg_endo -77.16 3.49 6.64 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.208 1.939 . . . . 0.46 111.401 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 -0.38 42.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.652 -0.704 . . . . 0.36 111.678 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.419 HD11 HD13 ' A' 2114 ' ' LEU . 18.4 mt -39.28 -63.34 0.56 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.669 0.747 . . . . 0.79 112.689 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2094 ' ' ILE . 8.3 mm -57.35 -24.91 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.6 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -90.17 -29.16 18.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.401 0.619 . . . . 0.38 111.222 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.64 -35.58 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.269 -0.878 . . . . 1.34 111.028 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -137.11 77.64 42.17 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.038 -1.097 . . . . 0.43 108.038 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.747 ' O ' HG23 ' A' 2124 ' ' THR . 12.2 Cg_endo -90.88 103.4 0.27 Allowed 'Trans proline' 0 N--CA 1.437 -1.811 0 C-N-CA 121.894 1.73 . . . . 0.25 112.393 -170.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.747 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.86 155.45 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 127.739 2.416 . . . . 0.13 104.842 160.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.5 Cg_exo -55.33 -37.68 94.4 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 CA-C-N 121.359 1.521 . . . . 0.14 110.164 172.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' 2130 ' ' GLN . 59.6 t60 -65.93 -48.42 71.44 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.597 -0.729 . . . . 0.42 111.732 177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.36 74.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.1 0.409 . . . . 0.13 111.307 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.547 HD11 HD13 ' A' 2119 ' ' ILE . 27.9 mt -71.51 -36.85 71.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.549 -0.296 . . . . 0.14 111.445 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.51 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 87.0 m -58.04 -26.45 62.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.712 0.768 . . . . 0.24 109.549 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' 2126 ' ' HIS . 7.1 mt-30 -80.59 -50.58 9.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.04 -0.982 . . . . 1.66 110.186 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.2 t60 -65.0 -48.17 74.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.941 0.4 . . . . 0.35 111.527 -174.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.429 ' HB2' HD13 ' A' 2063 ' ' LEU . 20.8 mt -64.53 -30.9 71.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.997 -0.547 . . . . 1.13 111.031 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -67.46 -43.07 81.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.814 -0.81 . . . . 0.31 108.814 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 59.6 m -60.69 -31.72 70.96 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.096 -0.956 . . . . 0.36 111.502 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.556 ' CB ' HD13 ' A' 2112 ' ' LEU . 21.1 mmm180 -73.32 -31.79 64.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.733 0.301 . . . . 1.64 111.472 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.919 HD23 HD21 ' A' 2112 ' ' LEU . 95.0 mt -82.31 -43.68 17.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.863 0.363 . . . . 0.97 111.667 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.447 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.68 111.34 -175.17 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.694 ' O ' ' HG3' ' A' 2060 ' ' GLN . 6.7 Cg_exo . . . . . 0 N--CA 1.458 -0.614 0 N-CA-C 113.73 0.627 . . . . 0.86 113.73 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.89 -40.74 97.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.061 0.226 . . . . 1.95 111.191 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -56.08 -47.95 77.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.52 -0.548 . . . . 1.6 109.52 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.3 mt-30 -59.58 -43.81 93.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.487 -0.779 . . . . 1.5 110.659 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.694 ' HG3' ' O ' ' A' 2056 ' ' PRO . 43.1 mt-30 -58.82 -57.79 11.48 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.473 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.1 mt-30 -55.23 -35.9 65.42 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 123.346 0.404 . . . . 1.32 111.394 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.6 m -56.62 -53.8 53.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.791 -0.64 . . . . 0.77 111.188 173.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.2 -17.91 53.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.001 0.905 . . . . 1.32 109.572 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.76 -46.29 72.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.024 -1.444 . . . . 0.51 108.345 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.5 m -64.59 -36.28 83.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.054 -1.43 . . . . 0.41 110.457 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -59.16 -58.11 10.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.054 -0.721 . . . . 1.35 109.054 177.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.504 ' HA ' HD21 ' A' 2106 ' ' LEU . 53.0 t -55.32 -45.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.063 -0.971 . . . . 0.22 110.977 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.71 -46.11 83.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.206 -0.906 . . . . 0.17 111.196 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -61.95 -33.34 74.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.241 0.543 . . . . 0.23 110.719 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.22 92.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.273 -0.876 . . . . 0.24 110.46 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.734 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -88.39 -24.75 22.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.998 -0.681 . . . . 0.28 110.925 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.14 47.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.059 -0.719 . . . . 0.31 109.059 165.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.6 m -72.56 -50.92 22.3 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.879 -1.055 . . . . 0.46 110.962 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.818 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -57.66 -42.82 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 113.273 0.842 . . . . 0.56 113.273 -175.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.1 mt -77.49 -15.41 59.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.317 0.579 . . . . 0.74 110.307 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 83.8 35.56 15.82 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.484 -0.78 . . . . 0.93 112.939 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 25.1 p80 -120.68 -14.52 8.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.12 -0.632 . . . . 0.97 112.053 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 65.37 161.33 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.918 -0.583 . . . . 1.56 112.5 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.0 t 43.6 138.68 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 126.369 1.868 . . . . 1.82 115.186 -170.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 1.9 Cg_endo -83.21 -2.42 10.67 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 124.837 3.692 . . . . 0.51 111.91 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.51 -7.95 47.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.409 -0.814 . . . . 1.54 111.248 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.1 t -117.04 14.07 14.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.979 -0.555 . . . . 0.63 110.254 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.612 HD12 HG23 ' A' 2071 ' ' THR . 29.2 mm -89.68 120.05 37.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.056 -0.52 . . . . 0.25 110.568 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 9.3 m -89.53 109.4 31.49 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.985 -0.552 . . . . 0.28 110.206 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 21.6 Cg_endo -66.13 -26.99 49.62 Favored 'Trans proline' 0 CA--C 1.513 -0.558 0 C-N-CA 122.551 2.167 . . . . 0.15 112.491 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.69 52.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.541 -0.754 . . . . 0.14 111.38 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 47.5 m -75.67 145.99 40.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.322 0.582 . . . . 0.16 109.488 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.42 144.17 30.67 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.065 -0.97 . . . . 0.15 109.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.556 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.7 m-85 -48.82 -38.83 23.27 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 123.845 0.716 . . . . 0.12 111.917 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.14 -65.33 0.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.111 -0.495 . . . . 1.69 110.948 172.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.91 -23.67 65.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.491 -0.777 . . . . 2.27 111.544 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' 2089 ' ' PHE . 89.8 mt -76.03 -21.19 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.343 -0.39 . . . . 0.24 111.915 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.49 11.43 6.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.289 -0.958 . . . . 0.2 113.583 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2119 ' ' ILE . 2.0 mm -70.63 130.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.65 177.41 4.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.845 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 19.4 m -64.76 -38.0 89.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.103 0.411 . . . . 1.32 110.489 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.8 tp -60.59 -54.65 42.85 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 123.44 0.696 . . . . 1.61 110.737 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.818 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -71.25 -26.8 63.06 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 112.85 0.685 . . . . 0.19 112.85 -179.284 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.83 -23.35 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.819 0.818 . . . . 0.24 109.276 170.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.36 -37.48 14.84 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.863 -1.062 . . . . 1.15 108.825 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' 2097 ' ' LEU . 28.8 mt-10 -65.1 -37.77 88.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.095 -0.502 . . . . 0.46 110.835 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.4 mt -56.36 -60.0 4.15 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.12 0.486 . . . . 1.13 110.223 171.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.5 OUTLIER -47.72 -45.56 28.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.598 -1.183 . . . . 2.11 110.948 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -53.69 -53.29 54.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.4 111.174 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.3 m -67.69 -43.64 79.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 0.33 111.338 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2102 ' ' LEU . 74.5 mt -67.33 -48.47 67.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 1.47 111.605 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.52 -28.19 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.102 0.477 . . . . 0.67 110.017 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.88 -51.54 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 1.29 110.399 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.61 -39.54 94.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.217 -0.901 . . . . 0.4 112.24 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.433 HG21 HD12 ' A' 2132 ' ' LEU . 43.0 p -78.33 -26.28 46.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.652 0.739 . . . . 0.33 109.64 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.08 8.71 83.5 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.928 -1.033 . . . . 0.36 112.211 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.825 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -101.48 -160.38 0.79 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.13 0.491 . . . . 0.47 109.728 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -135.69 121.89 20.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.358 -0.837 . . . . 0.43 110.009 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.93 157.76 76.99 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 114.643 -1.162 . . . . 1.25 111.21 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.61 ' O ' ' HG ' ' A' 2118 ' ' LEU . 79.3 Cg_endo -79.52 153.95 23.87 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.264 2.642 . . . . 0.33 111.696 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.01 2.92 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.083 1.856 . . . . 0.46 111.352 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 18.6 p -96.6 -1.09 47.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.815 -0.629 . . . . 0.36 111.889 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' 2115 ' ' PRO . 87.2 mt -38.33 -59.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.712 0.768 . . . . 0.79 111.79 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2094 ' ' ILE . 8.0 mm -57.31 -25.7 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 113.778 -1.556 . . . . 0.28 111.681 -175.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -90.9 -34.69 15.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.07 0.462 . . . . 0.38 111.48 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.95 -29.97 26.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.34 110.878 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -136.52 75.42 51.2 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.11 -1.071 . . . . 0.43 108.11 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' 2124 ' ' THR . 34.0 Cg_endo -91.95 103.31 0.22 Allowed 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 121.71 1.606 . . . . 0.25 112.37 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.724 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.6 155.96 0.13 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 127.743 2.417 . . . . 0.13 105.027 160.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.452 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 38.2 Cg_exo -55.34 -37.48 94.57 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 121.268 1.489 . . . . 0.14 110.337 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 75.0 t60 -69.46 -43.08 73.99 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.42 112.052 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.0 73.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.154 0.502 . . . . 0.13 110.501 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2119 ' ' ILE . 45.5 mt -74.8 -27.29 60.25 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.952 -0.567 . . . . 0.14 111.544 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 32.2 m -61.58 -30.64 70.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.704 0.764 . . . . 0.24 109.035 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -80.78 -43.34 20.27 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.266 -0.879 . . . . 1.66 110.18 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.0 t60 -66.46 -52.59 44.65 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.114 -0.494 . . . . 0.35 111.477 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.4 mm? -63.05 -31.97 73.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.199 -0.2 . . . . 1.13 111.28 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -68.39 -44.32 75.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.162 -0.681 . . . . 0.31 109.162 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.8 m -57.32 -51.76 68.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.594 -0.73 . . . . 0.36 110.327 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.681 ' HB3' HD13 ' A' 2112 ' ' LEU . 20.3 mmm180 -50.61 -48.65 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 1.64 112.584 -176.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.825 HD23 HD21 ' A' 2112 ' ' LEU . 78.4 mt -68.7 -37.01 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.076 0.399 . . . . 0.97 112.076 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 0.68 111.133 -178.277 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.697 ' O ' ' HG3' ' A' 2060 ' ' GLN . 23.9 Cg_exo . . . . . 0 C--O 1.229 0.06 0 N-CA-C 115.079 1.146 . . . . 0.86 115.079 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.03 -37.64 88.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.432 0.16 . . . . 1.95 111.432 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -60.18 -46.18 90.6 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.079 0.466 . . . . 1.6 109.901 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.488 ' O ' ' HB ' ' A' 2062 ' ' THR . 54.1 mt-30 -59.25 -41.1 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.319 -0.855 . . . . 1.5 110.535 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.79 -61.6 2.49 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.037 -0.529 . . . . 0.95 110.884 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 77.5 mt-30 -53.0 -35.71 59.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.335 0.397 . . . . 1.32 111.76 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' 2059 ' ' GLN . 82.4 m -52.3 -54.01 36.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.7 -0.682 . . . . 0.77 111.197 172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.416 HD21 HD11 ' A' 2136 ' ' LEU . 12.2 mt -78.05 -24.57 47.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.622 0.725 . . . . 1.32 109.426 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.252 -1.34 . . . . 0.51 108.707 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 84.9 m -77.0 -37.34 55.27 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.975 -1.466 . . . . 0.41 110.82 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -57.74 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.579 0.704 . . . . 1.35 109.504 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' 2125 ' ' PRO . 68.6 t -56.11 -43.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.662 -1.154 . . . . 0.22 110.984 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -66.07 -46.33 78.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.051 -0.977 . . . . 0.17 110.997 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.466 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.76 -33.49 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.23 110.654 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.22 88.68 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.098 -0.955 . . . . 0.24 110.649 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -86.9 -22.74 25.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.825 -0.75 . . . . 0.28 110.441 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.8 -43.21 65.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.267 -0.642 . . . . 0.31 109.267 167.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.9 m -77.91 -46.95 19.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.359 -0.837 . . . . 0.46 111.162 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.699 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -58.39 -43.19 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 112.824 0.676 . . . . 0.56 112.824 -177.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.3 mt -75.58 -32.96 60.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.352 -0.61 . . . . 0.74 109.352 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 100.91 15.41 28.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.93 112.775 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.537 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.5 p80 -95.17 -17.67 21.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.405 . . . . 0.97 110.919 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 69.57 159.36 0.18 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.127 -0.942 . . . . 1.56 112.67 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.4 t 46.59 141.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 126.614 1.966 . . . . 1.82 115.272 -172.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.466 ' HB3' ' N ' ' A' 2069 ' ' ALA . 1.3 Cg_endo -85.33 1.72 8.17 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 124.75 3.633 . . . . 0.51 111.834 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.439 ' HG2' HG23 ' A' 2079 ' ' THR . 9.8 pt-20 -67.34 -18.22 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.605 -0.725 . . . . 1.54 111.078 -176.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.3 t -114.2 20.11 15.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.117 0.484 . . . . 0.63 110.53 -174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.573 HD12 HG23 ' A' 2071 ' ' THR . 18.7 mm -95.27 123.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.3 -0.409 . . . . 0.25 110.668 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 16.4 m -91.42 109.01 33.16 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 0.28 110.23 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.2 Cg_endo -65.62 -27.91 52.95 Favored 'Trans proline' 0 CA--C 1.513 -0.557 0 C-N-CA 122.507 2.138 . . . . 0.15 112.529 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.21 56.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.817 -0.629 . . . . 0.14 111.296 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.443 ' O ' HG22 ' A' 2124 ' ' THR . 57.2 m -76.82 146.48 37.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.58 0.705 . . . . 0.16 109.621 176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.499 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.74 143.33 30.95 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.765 -1.107 . . . . 0.15 109.94 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.51 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 38.5 m-85 -47.71 -39.95 18.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.613 -0.721 . . . . 0.12 112.182 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -48.55 -61.58 1.95 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.784 -0.644 . . . . 1.69 110.82 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.18 -18.71 63.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.899 -1.046 . . . . 2.27 111.975 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' 2089 ' ' PHE . 95.8 mt -83.5 -16.66 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.257 -0.428 . . . . 0.24 112.011 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.53 8.04 11.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.292 -0.956 . . . . 0.2 113.139 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -72.28 127.0 33.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.276 0.473 . . . . 0.32 112.276 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -99.95 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 1.86 109.398 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.1 m -68.23 -30.71 69.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.166 0.439 . . . . 1.32 111.065 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' 2101 ' ' GLU . 58.2 mt -71.22 -54.66 10.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.315 0.579 . . . . 1.61 109.677 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.699 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -67.83 -25.84 65.76 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.441 -0.799 . . . . 0.19 112.777 -179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.44 -25.69 64.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.896 0.855 . . . . 0.24 109.719 170.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -36.07 14.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.865 -1.061 . . . . 1.15 109.011 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.4 mt-10 -67.77 -34.53 76.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.744 -0.662 . . . . 0.46 111.505 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 2102 ' ' LEU . 9.9 mt -56.51 -60.57 3.34 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.422 0.63 . . . . 1.13 109.976 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.8 OUTLIER -49.11 -40.36 31.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.197 -1.365 . . . . 2.11 111.064 175.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 2101 ' ' GLU . 85.0 m-20 -53.66 -54.7 34.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.361 -0.381 . . . . 0.4 110.695 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -39.26 82.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.33 111.103 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' 2102 ' ' LEU . 5.0 mp -60.55 -56.6 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 1.47 112.172 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.3 t -68.52 -28.19 66.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 0.67 110.309 -175.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.99 -46.6 64.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.247 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.57 -51.34 63.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.005 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.468 ' OG1' ' HG ' ' A' 2112 ' ' LEU . 31.9 p -71.49 -31.32 66.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.33 109.891 -171.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.92 7.54 61.17 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 114.791 -1.095 . . . . 0.36 111.727 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' 2136 ' ' LEU . 0.1 OUTLIER -99.8 -158.27 0.66 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.118 -0.541 . . . . 0.47 110.024 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -136.43 124.82 23.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.048 -0.978 . . . . 0.43 110.017 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 68.5 mt -133.73 153.57 80.15 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.168 -0.924 . . . . 1.25 111.617 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.573 ' O ' ' HG ' ' A' 2118 ' ' LEU . 43.6 Cg_endo -84.91 153.19 11.3 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 123.548 2.832 . . . . 0.33 112.0 176.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.2 -2.47 12.11 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.223 1.948 . . . . 0.46 111.451 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.5 p -91.96 0.2 57.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.36 111.523 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.5 mt -38.82 -65.46 0.36 Allowed 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 112.657 0.614 . . . . 0.79 112.657 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2094 ' ' ILE . 8.8 mm -55.54 -26.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.57 -1.195 . . . . 0.28 111.728 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -85.35 -29.48 24.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.38 111.532 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.56 -30.1 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 1.34 110.828 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -138.95 76.97 32.82 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.558 -0.746 . . . . 0.43 109.175 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' 2124 ' ' THR . 18.0 Cg_endo -92.51 103.13 0.19 Allowed 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.007 1.805 . . . . 0.25 112.333 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.752 HG23 ' O ' ' A' 2123 ' ' PRO . 2.8 p 168.33 154.59 0.14 Allowed Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 127.598 2.359 . . . . 0.13 105.214 161.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.57 ' HA ' HG11 ' A' 2067 ' ' VAL . 41.3 Cg_exo -55.81 -37.32 95.86 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 CA-C-N 121.135 1.441 . . . . 0.14 110.267 172.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.579 ' O ' ' HG3' ' A' 2130 ' ' GLN . 46.4 t60 -65.18 -48.14 74.48 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.435 -0.802 . . . . 0.42 111.57 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.65 70.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.933 0.396 . . . . 0.13 111.324 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.513 HD11 HD13 ' A' 2119 ' ' ILE . 46.0 mt -74.53 -32.13 62.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.365 -0.38 . . . . 0.14 111.506 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.3 m -59.28 -29.07 67.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 0.24 109.208 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -79.32 -48.05 14.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.007 -0.997 . . . . 1.66 109.649 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.6 t60 -60.81 -51.56 68.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.834 -0.621 . . . . 0.35 111.31 -176.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2128 ' ' LEU . 27.0 mt -63.4 -32.08 73.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.04 -0.527 . . . . 1.13 111.178 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -69.54 -39.47 77.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.114 -0.698 . . . . 0.31 109.114 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 98.6 m -61.97 -42.84 99.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.666 -0.697 . . . . 0.36 110.503 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' 2131 ' ' HIS . 20.2 mmm180 -59.39 -50.76 72.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.799 0.333 . . . . 1.64 111.611 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.602 ' CD2' HD21 ' A' 2112 ' ' LEU . 31.9 mt -64.62 -25.18 67.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.675 0.62 . . . . 0.97 112.675 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.029 0.442 . . . . 0.68 111.551 -175.256 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.626 ' O ' ' HG3' ' A' 2060 ' ' GLN . 63.6 Cg_exo . . . . . 0 N--CA 1.464 -0.254 0 N-CA-C 113.553 0.559 . . . . 0.86 113.553 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.74 -35.68 78.81 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 123.169 0.293 . . . . 1.95 111.284 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.22 -42.3 93.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.944 0.402 . . . . 1.6 110.021 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.742 ' O ' ' HB ' ' A' 2062 ' ' THR . 38.4 mt-30 -63.83 -39.01 93.21 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.175 -0.466 . . . . 1.5 109.765 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.5 mt-30 -56.68 -53.12 61.37 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.95 -0.389 . . . . 0.95 109.95 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.711 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 78.2 mt-30 -51.86 -31.75 29.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 1.32 111.463 176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.742 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.7 m -56.18 -57.27 12.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.553 -0.749 . . . . 0.77 111.143 173.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' 2059 ' ' GLN . 1.4 mm? -65.51 -36.88 85.16 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.123 0.963 . . . . 1.32 109.162 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -59.06 -32.49 69.81 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 113.512 -1.676 . . . . 0.51 110.291 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 41.1 m -89.58 -43.72 10.58 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.256 -1.338 . . . . 0.41 110.532 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.544 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.4 tp -56.4 -60.04 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 1.35 110.836 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.462 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 62.6 t -54.47 -42.32 58.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.224 -1.353 . . . . 0.22 111.271 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.18 64.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.806 -0.634 . . . . 0.17 111.228 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.433 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -64.04 -27.85 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.307 0.575 . . . . 0.23 110.33 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.56 -47.18 79.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.384 -0.825 . . . . 0.24 110.125 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.796 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.2 t -86.24 -24.83 25.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.856 -0.738 . . . . 0.28 110.442 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.02 -51.56 30.21 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 165.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -62.73 -51.29 67.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.149 -0.932 . . . . 0.46 111.197 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.832 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.73 -42.0 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 113.566 0.95 . . . . 0.56 113.566 -175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' 2071 ' ' THR . 17.4 mt -76.83 -28.47 55.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.939 -0.476 . . . . 0.74 110.715 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.21 13.17 13.82 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.644 -0.789 . . . . 0.93 112.56 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 15.6 p80 -122.37 96.04 4.88 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.993 -0.743 . . . . 0.97 108.993 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -49.43 -35.59 19.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.158 1.54 . . . . 1.56 115.158 -162.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.5 t -88.45 145.21 35.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 118.655 -1.218 . . . . 1.82 112.371 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -85.37 -2.36 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 125.116 3.877 . . . . 0.51 112.014 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.19 -18.62 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 1.54 110.71 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 45.4 t -106.58 19.74 20.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.87 -0.605 . . . . 0.63 110.096 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.671 HD12 HG23 ' A' 2071 ' ' THR . 19.6 mm -98.4 112.58 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.137 -0.483 . . . . 0.25 110.408 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 38.4 m -82.94 113.1 43.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.278 -0.419 . . . . 0.28 110.157 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.508 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.8 Cg_endo -65.67 -28.5 52.29 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 122.454 2.102 . . . . 0.15 112.558 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.87 -30.46 45.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.14 111.491 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.493 ' O ' HG22 ' A' 2124 ' ' THR . 41.3 m -74.87 145.61 42.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.147 -0.686 . . . . 0.16 109.147 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.548 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.01 145.62 29.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.192 -0.913 . . . . 0.15 110.05 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 40.6 m-85 -48.98 -38.88 24.49 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.929 0.768 . . . . 0.12 111.936 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -47.59 -61.4 1.95 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.972 -0.558 . . . . 1.69 111.0 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.0 -17.15 64.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.526 -0.761 . . . . 2.27 111.804 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.35 -14.83 48.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.24 111.831 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 115.29 12.67 9.6 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.335 -0.936 . . . . 0.2 113.457 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.528 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -75.7 132.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 112.566 0.58 . . . . 0.32 112.566 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -107.97 -178.27 3.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.969 -0.752 . . . . 1.86 108.969 172.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 25.2 m -64.15 -38.02 89.54 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.824 -0.35 . . . . 1.32 111.1 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.4 tp -62.06 -55.46 28.82 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.406 0.682 . . . . 1.61 110.746 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.832 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.77 -25.99 63.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.639 -0.709 . . . . 0.19 112.827 -178.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.61 -23.8 64.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.833 0.825 . . . . 0.24 109.496 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.88 -36.59 14.97 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.786 -1.097 . . . . 1.15 108.853 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.5 mt-10 -67.51 -38.15 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.46 111.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' 2106 ' ' LEU . 10.7 mt -56.86 -65.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.002 0.43 . . . . 1.13 111.034 174.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -51.23 -34.39 32.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.89 -1.05 . . . . 2.11 110.55 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -57.71 -53.13 61.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.429 . . . . 0.4 110.606 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.3 m -64.78 -41.32 95.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.879 -0.6 . . . . 0.33 110.646 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' 2102 ' ' LEU . 6.7 mp -63.05 -53.78 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 1.47 111.387 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.525 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 4.8 t -65.21 -28.6 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.195 0.522 . . . . 0.67 110.295 -176.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.42 -45.68 65.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 1.29 110.303 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.62 -39.35 67.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.723 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 41.5 p -80.2 -22.05 42.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.295 0.569 . . . . 0.33 109.587 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 85.29 1.34 88.25 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.114 -0.948 . . . . 0.36 112.032 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.83 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -95.26 -159.22 0.7 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.166 0.507 . . . . 0.47 109.876 -177.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . 0.525 ' HA ' ' OG1' ' A' 2107 ' ' THR . 24.6 t70 -140.13 113.72 8.65 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.927 -1.033 . . . . 0.43 110.016 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.519 HD21 HD12 ' A' 2112 ' ' LEU . 2.9 mm? -116.6 151.26 46.89 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 113.808 -1.542 . . . . 1.25 110.557 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' 2118 ' ' LEU . 92.7 Cg_endo -72.03 157.44 54.45 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.411 2.741 . . . . 0.33 111.723 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.9 Cg_endo -75.3 -2.8 13.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.06 1.84 . . . . 0.46 111.281 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -97.5 4.69 50.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.5 -0.773 . . . . 0.36 110.856 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' 2115 ' ' PRO . 14.6 tp -43.69 -58.1 2.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.636 0.775 . . . . 0.79 112.723 177.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.593 HD13 HD11 ' A' 2128 ' ' LEU . 31.6 mm -55.64 -31.05 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.071 -0.968 . . . . 0.28 111.373 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -84.4 -29.97 25.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.891 -0.595 . . . . 0.38 111.439 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.88 -34.06 33.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.671 . . . . 1.34 111.232 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.58 79.77 28.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.345 -0.983 . . . . 0.43 108.345 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' 2124 ' ' THR . 36.1 Cg_endo -91.58 103.14 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.859 1.706 . . . . 0.25 112.642 -169.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.661 HG23 ' O ' ' A' 2123 ' ' PRO . 1.4 p 167.21 157.57 0.12 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.526 2.33 . . . . 0.13 105.419 160.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.432 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.7 Cg_exo -55.88 -38.7 94.2 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 CA-C-N 121.14 1.443 . . . . 0.14 110.163 172.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 76.9 t60 -68.31 -45.19 73.64 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.76 -0.654 . . . . 0.42 111.716 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.59 -36.48 66.96 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.194 0.521 . . . . 0.13 110.867 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.593 HD11 HD13 ' A' 2119 ' ' ILE . 42.3 mt -78.97 -30.97 44.77 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.022 -0.536 . . . . 0.14 111.384 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 51.5 m -57.53 -33.15 67.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.075 -0.713 . . . . 0.24 109.075 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 0.8 OUTLIER -79.41 -49.24 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.226 -0.897 . . . . 1.66 110.228 178.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.73 -54.83 37.25 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 111.781 0.289 . . . . 0.35 111.781 -175.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.9 mm? -59.26 -35.58 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.279 -0.168 . . . . 1.13 111.216 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -65.56 -40.12 92.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.566 -0.531 . . . . 0.31 109.566 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.7 m -64.45 -48.04 76.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.553 -0.748 . . . . 0.36 110.264 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.59 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.9 mmm180 -52.45 -48.43 65.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 1.64 111.721 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.83 HD23 HD21 ' A' 2112 ' ' LEU . 72.3 mt -65.66 -26.67 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.566 0.58 . . . . 0.97 112.566 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 112.189 0.44 . . . . 0.68 112.189 -170.775 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' 2060 ' ' GLN . 7.0 Cg_exo . . . . . 0 N--CA 1.457 -0.651 0 N-CA-C 113.987 0.726 . . . . 0.86 113.987 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.8 tp-100 -62.87 -36.2 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.048 0.218 . . . . 1.95 110.922 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.64 -45.23 94.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.653 -0.499 . . . . 1.6 109.653 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.474 ' O ' ' HB ' ' A' 2062 ' ' THR . 49.0 mt-30 -61.1 -40.2 92.84 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.957 -0.565 . . . . 1.5 110.232 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' 2056 ' ' PRO . 44.5 mt-30 -61.58 -54.86 37.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.202 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 25.7 mt-30 -54.2 -36.85 63.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 1.32 111.459 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.7 m -57.58 -52.69 64.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.76 -0.655 . . . . 0.77 111.246 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -78.71 -19.29 52.76 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.963 0.887 . . . . 1.32 109.567 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.05 -48.59 65.19 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.137 -1.392 . . . . 0.51 108.336 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 93.7 m -63.97 -35.91 82.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 113.978 -1.465 . . . . 0.41 110.506 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -59.68 4.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.894 -0.78 . . . . 1.35 108.894 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' 2063 ' ' LEU . 54.7 t -54.28 -44.9 67.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.795 -1.093 . . . . 0.22 110.92 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -63.48 -51.54 65.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.083 -0.962 . . . . 0.17 111.708 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.65 -29.75 70.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.008 0.432 . . . . 0.23 110.778 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.83 84.03 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.731 -0.668 . . . . 0.24 110.377 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.794 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.7 -24.98 23.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.078 -0.649 . . . . 0.28 110.347 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -45.9 60.26 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.905 -0.776 . . . . 0.31 108.905 166.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.2 m -71.92 -48.55 44.67 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.46 111.186 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.729 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -60.01 -42.62 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.095 0.776 . . . . 0.56 113.095 -176.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' 2071 ' ' THR . 9.2 mt -77.61 -27.01 51.07 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.301 0.572 . . . . 0.74 109.793 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 97.86 44.19 2.71 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.344 -0.844 . . . . 0.93 112.932 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.59 -1.47 2.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.243 0.521 . . . . 0.97 112.246 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.522 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.3 m-70 67.5 -38.48 0.35 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.463 1.653 . . . . 1.56 115.463 168.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.5 p -79.09 123.06 85.02 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 113.482 0.919 . . . . 1.82 113.482 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.7 Cg_exo -83.75 -19.71 4.92 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.972 3.115 . . . . 0.51 110.91 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.29 -22.31 57.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.467 -0.788 . . . . 1.54 110.372 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.2 t -94.38 20.43 8.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.63 110.036 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.624 HD12 HG23 ' A' 2071 ' ' THR . 13.4 mm -99.35 119.58 47.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.322 -0.854 . . . . 0.25 109.795 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 6.5 m -85.64 109.1 19.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.28 110.403 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.462 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.9 Cg_endo -65.9 -27.62 50.92 Favored 'Trans proline' 0 CA--C 1.515 -0.472 0 C-N-CA 122.519 2.146 . . . . 0.15 112.564 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -79.5 -29.95 41.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.686 -0.688 . . . . 0.14 111.008 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.482 ' O ' HG22 ' A' 2124 ' ' THR . 40.9 m -74.73 146.73 41.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.409 0.624 . . . . 0.16 109.722 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.59 143.89 29.83 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.007 -0.997 . . . . 0.15 109.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.519 ' HB3' HG13 ' A' 2094 ' ' ILE . 39.8 m-85 -49.59 -37.4 27.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.275 -0.875 . . . . 0.12 111.91 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.54 -64.7 0.7 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.141 -0.481 . . . . 1.69 110.883 172.011 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' 2087 ' ' THR . 8.0 m-20 -56.74 -30.47 63.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 2.27 111.422 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 2089 ' ' PHE . 80.8 mt -75.06 -16.07 60.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.782 -0.644 . . . . 0.24 111.973 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 116.69 8.03 12.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.342 -0.932 . . . . 0.2 113.441 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2119 ' ' ILE . 2.4 mm -69.8 132.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.816 0.673 . . . . 0.32 112.816 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -108.7 178.76 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.14 -0.936 . . . . 1.86 109.016 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 10.4 p -60.68 -43.09 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.137 0.494 . . . . 1.32 110.627 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' 2100 ' ' LEU . 12.8 tp -58.23 -52.63 64.78 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.279 -0.873 . . . . 1.61 111.366 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.729 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.33 -26.06 60.88 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 112.958 0.725 . . . . 0.19 112.958 -179.593 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.597 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.86 -21.56 63.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 0.24 109.325 171.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.1 OUTLIER -85.53 -48.48 8.9 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.347 -1.297 . . . . 1.15 108.469 177.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.569 ' N ' HD13 ' A' 2100 ' ' LEU . 22.9 mt-10 -56.98 -39.35 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.46 111.974 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' 2071 ' ' THR . 6.9 mt -56.81 -64.09 0.99 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.144 0.497 . . . . 1.13 110.707 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.0 OUTLIER -48.55 -38.46 20.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.693 -1.14 . . . . 2.11 111.242 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -59.52 -38.94 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.309 . . . . 0.4 111.418 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.54 -39.16 28.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.155 0.503 . . . . 0.33 110.548 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' 2102 ' ' LEU . 6.2 mp -63.35 -56.05 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.539 -0.755 . . . . 1.47 111.423 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -64.36 -27.81 69.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.055 0.455 . . . . 0.67 110.115 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.5 t60 -67.98 -49.9 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.773 -0.649 . . . . 1.29 110.312 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.14 -42.57 84.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.011 -0.995 . . . . 0.4 112.502 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.426 ' HB ' HD21 ' A' 2136 ' ' LEU . 41.5 p -78.66 -23.62 45.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.505 0.669 . . . . 0.33 109.777 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.58 7.65 85.88 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.999 -1.0 . . . . 0.36 112.099 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.796 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -97.31 -159.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.508 . . . . 0.47 109.761 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.96 121.51 14.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.16 -0.927 . . . . 0.43 109.36 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.417 HD13 HD11 ' A' 2118 ' ' LEU . 58.5 mt -133.67 161.01 66.31 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 114.966 -1.015 . . . . 1.25 111.359 -167.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' 2118 ' ' LEU . 62.7 Cg_endo -83.76 151.9 13.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.165 2.576 . . . . 0.33 111.899 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.98 -4.42 15.1 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.225 1.95 . . . . 0.46 111.5 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.9 p -93.21 1.97 56.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.36 111.728 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' 2115 ' ' PRO . 48.1 mt -41.22 -57.83 1.98 Allowed 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.959 0.885 . . . . 0.79 111.442 171.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2094 ' ' ILE . 9.5 mm -54.75 -27.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 113.163 -1.835 . . . . 0.28 111.495 -176.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -91.36 -33.56 15.23 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.002 -0.545 . . . . 0.38 111.664 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.89 -37.29 40.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.693 0.759 . . . . 1.34 110.743 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -132.71 77.93 67.92 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.992 -1.114 . . . . 0.43 107.992 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.746 ' O ' HG23 ' A' 2124 ' ' THR . 38.9 Cg_endo -91.14 103.23 0.26 Allowed 'Trans proline' 0 N--CA 1.436 -1.858 0 C-N-CA 121.575 1.517 . . . . 0.25 112.607 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.746 HG23 ' O ' ' A' 2123 ' ' PRO . 5.2 p 167.78 158.31 0.14 Allowed Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 128.181 2.592 . . . . 0.13 104.789 159.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.45 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 36.3 Cg_exo -55.45 -37.6 94.71 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 CA-C-N 121.31 1.504 . . . . 0.14 110.367 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.457 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 76.6 t60 -71.09 -40.31 71.62 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.858 -0.61 . . . . 0.42 111.957 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.37 77.79 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.249 0.547 . . . . 0.13 110.496 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.57 HD11 HD13 ' A' 2119 ' ' ILE . 44.3 mt -75.81 -29.04 58.56 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.078 -0.51 . . . . 0.14 111.291 176.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.478 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.1 m -60.4 -28.84 68.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.815 -0.809 . . . . 0.24 108.815 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -80.49 -48.55 12.64 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.102 -0.954 . . . . 1.66 110.296 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.402 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.5 t60 -60.99 -52.09 66.5 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.537 -0.301 . . . . 0.35 111.417 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.7 mm? -62.28 -33.48 74.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.128 -0.229 . . . . 1.13 111.442 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -70.44 -37.08 74.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.48 -0.563 . . . . 0.31 109.48 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 35.0 m -65.97 -44.84 83.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.819 -0.628 . . . . 0.36 110.802 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.71 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -57.22 -47.53 81.09 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.972 0.36 . . . . 1.64 111.972 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.796 HD23 HD21 ' A' 2112 ' ' LEU . 90.0 mt -70.53 -45.96 64.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.502 0.556 . . . . 0.97 112.502 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.1 p . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 121.088 0.47 . . . . 0.68 111.464 -173.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.71 ' O ' ' HG3' ' A' 2060 ' ' GLN . 44.8 Cg_exo . . . . . 0 C--O 1.23 0.079 0 N-CA-C 113.913 0.697 . . . . 0.86 113.913 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 25.8 tp60 -63.52 -38.35 90.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.819 -0.173 . . . . 1.95 111.417 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -61.48 -43.55 98.66 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.635 -0.505 . . . . 1.6 109.635 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.452 ' O ' ' HB ' ' A' 2062 ' ' THR . 52.9 mt-30 -63.77 -41.08 98.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.555 -0.748 . . . . 1.5 110.244 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -60.26 -59.24 5.72 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.342 -0.39 . . . . 0.95 110.379 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.514 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 93.0 mt-30 -52.96 -35.87 59.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.341 0.4 . . . . 1.32 111.508 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' 2059 ' ' GLN . 90.1 m -56.34 -54.41 45.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.825 -0.625 . . . . 0.77 111.305 172.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -79.07 -19.34 51.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.911 0.862 . . . . 1.32 109.704 -175.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.13 -51.18 49.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.118 -1.401 . . . . 0.51 108.463 175.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.7 m -61.88 -33.88 75.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.828 -1.533 . . . . 0.41 110.522 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.476 HD11 ' CB ' ' A' 2109 ' ' ASN . 0.0 OUTLIER -59.98 -59.25 5.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.909 -0.774 . . . . 1.35 108.909 175.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.466 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -54.29 -43.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 0.22 110.783 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.577 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.93 70.21 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.81 -1.086 . . . . 0.17 111.4 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.504 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -59.97 -32.92 71.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.971 0.415 . . . . 0.23 110.76 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.46 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -61.54 -46.81 88.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.409 -0.814 . . . . 0.24 110.467 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.745 ' O ' ' HG ' ' A' 2075 ' ' LEU . 11.8 t -88.55 -24.17 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 119.843 -0.743 . . . . 0.28 110.916 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -53.91 -45.15 71.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.644 -0.873 . . . . 0.31 108.644 167.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 76.1 m -71.85 -48.41 46.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.419 -0.809 . . . . 0.46 111.074 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.7 OUTLIER -59.94 -42.27 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.26 0.837 . . . . 0.56 113.26 -175.064 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.9 mt -82.43 -12.36 57.91 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.087 0.47 . . . . 0.74 110.069 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.72 18.08 76.1 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.93 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.2 p80 -100.55 -14.39 18.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 0.97 110.911 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.465 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.2 m-70 63.04 -176.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.28 -0.873 . . . . 1.56 111.68 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 23.0 p 53.21 115.47 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 114.514 1.301 . . . . 1.82 114.514 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.504 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.3 Cg_exo -80.86 -12.51 12.07 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 124.455 3.437 . . . . 0.51 111.193 174.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.06 -21.68 33.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.163 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.6 t -90.8 21.99 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.63 109.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.577 HG13 ' HB1' ' A' 2068 ' ' ALA . 11.6 mm -103.26 118.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.25 110.091 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 23.6 m -85.49 111.94 40.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.625 -0.261 . . . . 0.28 110.428 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 31.7 Cg_endo -68.04 -26.12 37.39 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.573 2.182 . . . . 0.15 112.563 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.34 -30.84 48.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.723 -0.671 . . . . 0.14 111.416 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.492 ' O ' HG22 ' A' 2124 ' ' THR . 26.0 m -73.31 146.86 44.99 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.373 -0.602 . . . . 0.16 109.373 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.37 142.43 31.03 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 115.215 -0.902 . . . . 0.15 109.793 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.487 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.9 m-85 -46.88 -41.75 16.32 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 123.526 0.516 . . . . 0.12 112.17 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -49.51 -60.66 2.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.318 -0.401 . . . . 1.69 111.374 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.404 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.1 t70 -57.77 -31.87 66.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 2.27 110.963 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.6 mt -70.59 -19.63 62.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 0.24 112.301 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.55 3.56 10.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.239 -0.981 . . . . 0.2 113.143 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2119 ' ' ILE . 7.8 mm -70.25 129.87 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.053 0.454 . . . . 0.32 112.054 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -110.26 -178.23 3.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.932 -0.766 . . . . 1.86 108.932 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 53.3 p -61.89 -35.22 77.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.185 0.517 . . . . 1.32 111.156 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.739 ' O ' ' HB3' ' A' 2100 ' ' LEU . 61.3 mt -67.23 -50.97 58.66 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.509 -0.769 . . . . 1.61 110.391 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.634 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -74.0 -26.42 60.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 113.041 0.756 . . . . 0.19 113.041 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.52 -20.82 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.077 0.942 . . . . 0.24 109.376 170.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.739 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -84.48 -50.26 7.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.186 -1.37 . . . . 1.15 108.55 177.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.518 ' N ' HD13 ' A' 2100 ' ' LEU . 18.0 mt-10 -56.11 -42.53 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.46 111.997 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.4 mt -56.83 -61.39 2.47 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.266 0.555 . . . . 1.13 110.722 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.1 tmt_? -47.94 -42.91 28.59 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.395 -1.275 . . . . 2.11 111.216 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -58.46 -47.5 83.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.4 111.196 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 19.4 m -70.39 -42.06 72.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 0.33 111.277 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 2102 ' ' LEU . 61.6 mt -68.97 -46.73 67.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.329 . . . . 1.47 111.36 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.3 t -66.88 -27.68 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.345 0.593 . . . . 0.67 109.873 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.9 t60 -68.96 -48.14 63.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.523 -0.762 . . . . 1.29 110.405 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.476 ' CB ' HD11 ' A' 2066 ' ' LEU . 7.8 m-80 -68.97 -39.35 79.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.004 . . . . 0.4 112.798 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.41 HG21 HD12 ' A' 2132 ' ' LEU . 40.8 p -81.12 -22.58 38.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.681 . . . . 0.33 109.971 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.48 10.73 84.11 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.077 -0.965 . . . . 0.36 112.237 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.699 HD21 HD23 ' A' 2136 ' ' LEU . 0.3 OUTLIER -97.15 -159.06 0.71 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.134 0.493 . . . . 0.47 109.882 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -138.29 116.84 12.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.147 -0.933 . . . . 0.43 109.904 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.91 151.89 76.43 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 114.297 -1.319 . . . . 1.25 111.609 -170.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.575 ' O ' ' HG3' ' A' 2103 ' ' ARG . 77.4 Cg_endo -79.06 152.49 24.47 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 123.591 2.861 . . . . 0.33 112.317 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.7 1.38 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.47 2.113 . . . . 0.46 111.695 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -100.7 3.14 42.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.549 . . . . 0.36 111.765 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 33.7 mt -39.66 -63.91 0.53 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 0.79 112.174 172.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2094 ' ' ILE . 10.9 mm -56.9 -25.68 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.564 -174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -84.45 -31.94 24.32 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.808 0.337 . . . . 0.38 111.683 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -89.33 -39.1 13.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.198 0.523 . . . . 1.34 111.024 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -123.83 71.26 50.61 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.586 -0.894 . . . . 0.43 108.586 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.728 ' O ' HG23 ' A' 2124 ' ' THR . 10.7 Cg_endo -91.58 104.09 0.24 Allowed 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.134 1.89 . . . . 0.25 112.619 -172.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.728 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.63 155.89 0.13 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.706 2.403 . . . . 0.13 104.896 160.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.6 Cg_exo -54.97 -39.52 90.35 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 CA-C-N 121.475 1.562 . . . . 0.14 109.908 171.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' 2130 ' ' GLN . 38.4 t60 -62.92 -48.49 78.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.561 -0.745 . . . . 0.42 111.726 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.73 73.98 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.86 0.362 . . . . 0.13 111.193 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.437 HD12 ' CE2' ' A' 2089 ' ' PHE . 48.7 mt -74.32 -30.23 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.475 -0.329 . . . . 0.14 111.477 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.431 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 57.8 m -59.78 -28.8 67.72 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.743 0.782 . . . . 0.24 109.162 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.6 mt-30 -80.63 -47.0 14.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.955 . . . . 1.66 110.106 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.24 -52.79 63.3 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.382 -0.372 . . . . 0.35 111.673 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.9 mm? -63.85 -32.12 73.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.575 0.226 . . . . 1.13 111.143 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -70.45 -38.13 74.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.556 -0.535 . . . . 0.31 109.556 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 27.7 m -65.4 -50.31 65.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.881 -0.599 . . . . 0.36 110.457 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.676 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.2 mmm180 -47.54 -53.17 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.699 HD23 HD21 ' A' 2112 ' ' LEU . 67.1 mt -66.5 -39.91 88.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.009 -0.541 . . . . 0.97 112.304 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.68 112.215 -171.279 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.739 ' O ' ' HG3' ' A' 2060 ' ' GLN . 38.5 Cg_exo . . . . . 0 N--CA 1.466 -0.138 0 N-CA-C 114.056 0.752 . . . . 0.86 114.056 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.74 -39.18 87.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.894 0.331 . . . . 1.95 111.894 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.73 -41.3 86.1 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.277 0.56 . . . . 1.6 109.913 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' 2062 ' ' THR . 23.1 mt-30 -67.99 -44.67 76.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.595 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.739 ' HG3' ' O ' ' A' 2056 ' ' PRO . 19.6 mt-30 -59.31 -60.41 3.9 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.114 -0.494 . . . . 0.95 111.132 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.503 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.3 mt-30 -50.26 -37.19 34.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.025 0.44 . . . . 1.32 111.688 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' 2059 ' ' GLN . 87.0 m -55.96 -54.6 42.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.499 -0.773 . . . . 0.77 111.483 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.17 -19.9 46.05 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.905 0.859 . . . . 1.32 109.625 -176.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.82 -48.35 69.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.98 -1.464 . . . . 0.51 108.488 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 40.2 m -65.85 -34.75 78.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.311 -1.313 . . . . 0.41 110.942 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -57.94 10.47 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.063 -0.717 . . . . 1.35 109.063 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.25 -43.77 77.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.038 -0.983 . . . . 0.22 111.149 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.507 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.58 -47.6 75.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.175 -0.92 . . . . 0.17 111.446 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.62 -29.84 70.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.042 0.448 . . . . 0.23 110.745 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.27 80.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.241 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.809 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.9 t -85.53 -26.36 26.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 119.899 -0.721 . . . . 0.28 110.541 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.63 -46.84 58.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.167 -0.679 . . . . 0.31 109.167 166.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 91.4 m -70.79 -47.85 57.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.544 -0.753 . . . . 0.46 110.988 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.08 -42.23 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.086 0.773 . . . . 0.56 113.086 -176.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.809 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.3 mt -80.3 -21.09 42.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.21 0.528 . . . . 0.74 109.998 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 90.95 36.55 6.68 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.478 -0.783 . . . . 0.93 113.332 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.2 p80 -123.37 -9.53 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 0.97 111.061 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 90.0 m-70 71.65 -31.88 0.23 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.804 1.409 . . . . 1.56 114.804 166.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.2 p -81.15 124.32 81.05 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.27 0.841 . . . . 1.82 113.27 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' 2079 ' ' THR . 4.4 Cg_exo -85.86 -10.76 7.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.963 3.109 . . . . 0.51 110.544 173.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.65 -18.81 43.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.109 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.8 t -97.61 21.79 9.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.234 0.54 . . . . 0.63 110.413 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 HG23 ' A' 2071 ' ' THR . 13.9 mm -104.2 114.51 43.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.819 -0.628 . . . . 0.25 110.723 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.5 m -83.12 113.5 46.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.28 110.341 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.47 ' O ' ' HB ' ' A' 2124 ' ' THR . 26.5 Cg_endo -68.04 -26.39 37.11 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.4 2.066 . . . . 0.15 112.305 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.78 55.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.596 -0.729 . . . . 0.14 111.4 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 26.7 m -76.31 145.6 39.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.357 0.598 . . . . 0.16 109.44 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.76 141.46 33.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.201 -0.909 . . . . 0.15 109.595 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.512 ' HB3' HG13 ' A' 2094 ' ' ILE . 43.8 m-85 -45.19 -42.76 9.51 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.691 0.619 . . . . 0.12 111.498 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.03 -64.16 0.68 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.316 -0.857 . . . . 1.69 111.746 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.451 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.5 t70 -60.94 -30.99 70.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 2.27 111.105 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.2 mt -70.9 -12.86 61.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 0.24 112.41 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 110.88 14.56 12.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.245 -0.979 . . . . 0.2 112.683 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2119 ' ' ILE . 5.0 mm -79.83 118.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.202 0.525 . . . . 0.32 112.0 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.93 178.26 6.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.468 -0.787 . . . . 1.86 108.948 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.6 m -68.44 -30.52 69.41 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 118.231 0.469 . . . . 1.32 110.817 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' 2100 ' ' LEU . 69.7 mt -71.87 -48.89 42.68 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.245 0.545 . . . . 1.61 110.192 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.7 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.01 -27.35 61.73 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 112.963 0.727 . . . . 0.19 112.963 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.409 ' CA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -25.08 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.504 -0.925 . . . . 0.24 108.504 168.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.769 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 4.0 tp -86.92 -41.32 14.05 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 114.343 -1.299 . . . . 1.15 109.667 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.2 mt-10 -60.76 -35.58 76.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.874 -0.603 . . . . 0.46 110.582 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' 2071 ' ' THR . 7.9 mt -58.54 -70.7 0.13 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.345 0.498 . . . . 1.13 112.345 174.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.784 ' HB2' HD12 ' A' 2118 ' ' LEU . 0.0 OUTLIER -57.09 -26.21 60.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.903 -0.319 . . . . 2.11 111.027 -176.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -60.15 -56.74 17.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.08 0.466 . . . . 0.4 110.186 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 30.6 m -62.87 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.576 -0.738 . . . . 0.33 110.938 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.8 mp -61.51 -58.19 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.726 -0.67 . . . . 1.47 111.731 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 3.2 t -63.98 -28.05 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.67 110.294 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -66.43 -52.35 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.385 0.612 . . . . 1.29 110.442 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -66.96 -39.26 87.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.664 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.55 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 54.6 p -77.96 -23.87 48.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.648 0.737 . . . . 0.33 110.061 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.01 5.13 86.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.001 -1.0 . . . . 0.36 111.181 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.811 HD21 HD23 ' A' 2136 ' ' LEU . 11.2 mt -85.16 -168.5 2.24 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.647 -0.776 . . . . 0.47 110.337 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -136.92 122.3 19.43 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.605 -1.18 . . . . 0.43 108.811 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.588 HD13 HD11 ' A' 2118 ' ' LEU . 64.7 mt -130.14 159.53 69.87 Favored Pre-proline 0 C--N 1.305 -1.357 0 CA-C-N 114.916 -1.038 . . . . 1.25 111.3 -168.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' 2114 ' ' LEU . 95.8 Cg_endo -77.87 151.51 27.86 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.648 2.232 . . . . 0.33 111.06 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.621 ' HB2' ' NH2' ' A' 2103 ' ' ARG . 87.9 Cg_endo -81.14 13.86 2.26 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.657 1.572 . . . . 0.46 110.866 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.4 p -106.92 2.23 25.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.281 -0.872 . . . . 0.36 111.619 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' 2103 ' ' ARG . 15.3 mt -38.79 -67.09 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.344 0.868 . . . . 0.79 113.344 175.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2094 ' ' ILE . 12.5 mm -58.61 -21.35 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.202 -0.908 . . . . 0.28 111.605 -174.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.92 -38.83 16.33 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.301 -0.408 . . . . 0.38 111.642 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.5 -37.59 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.364 0.602 . . . . 1.34 111.175 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.515 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 57.3 m-70 -127.52 74.37 77.88 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.43 108.692 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.765 ' O ' HG23 ' A' 2124 ' ' THR . 18.5 Cg_endo -91.91 101.97 0.21 Allowed 'Trans proline' 0 N--CA 1.434 -2.027 0 C-N-CA 121.922 1.748 . . . . 0.25 111.774 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.765 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 169.05 154.34 0.16 Allowed Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 127.808 2.443 . . . . 0.13 104.749 163.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.72 -38.06 94.78 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 CA-C-N 121.087 1.424 . . . . 0.14 110.033 171.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.516 ' O ' ' HG3' ' A' 2130 ' ' GLN . 57.4 t60 -64.66 -47.11 79.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.42 111.966 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.01 -40.85 70.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.023 0.439 . . . . 0.13 111.228 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.517 HD11 HD13 ' A' 2119 ' ' ILE . 46.7 mt -76.16 -30.33 58.07 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.317 -0.401 . . . . 0.14 111.452 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.4 m -59.92 -26.2 65.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.663 0.744 . . . . 0.24 109.206 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.0 mt-30 -80.24 -47.05 15.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.838 . . . . 1.66 110.068 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.98 -51.92 54.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.348 -0.387 . . . . 0.35 111.831 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.486 HD11 HD11 ' A' 2114 ' ' LEU . 2.3 mm? -62.57 -32.59 73.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.173 -0.211 . . . . 1.13 111.084 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -66.66 -39.62 88.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.249 -0.649 . . . . 0.31 109.249 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 41.4 m -67.27 -40.57 86.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.632 -0.713 . . . . 0.36 110.765 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' 2112 ' ' LEU . 7.2 mmm180 -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.61 0.243 . . . . 1.64 111.304 -175.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.811 HD23 HD21 ' A' 2112 ' ' LEU . 95.8 mt -79.76 -11.76 59.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.97 111.831 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.8 p . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.517 . . . . 0.68 110.674 177.827 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' 2060 ' ' GLN . 66.1 Cg_exo . . . . . 0 CA--C 1.531 0.369 0 N-CA-C 114.066 0.756 . . . . 0.86 114.066 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.85 -40.68 95.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 1.95 111.134 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.38 -42.39 96.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.29 -0.633 . . . . 1.6 109.29 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.576 ' O ' ' HB ' ' A' 2062 ' ' THR . 90.0 mt-30 -54.61 -43.12 71.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.803 -1.09 . . . . 1.5 110.656 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' 2056 ' ' PRO . 18.3 mt-30 -59.25 -60.81 3.26 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 115.779 -0.646 . . . . 0.95 110.245 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 41.8 mt-30 -52.61 -36.44 56.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 1.32 111.704 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.8 m -53.02 -57.11 11.48 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.432 -0.804 . . . . 0.77 111.581 171.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.7 pp -80.63 -18.39 48.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.917 0.865 . . . . 1.32 109.458 -174.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.66 -45.76 81.73 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.917 -1.492 . . . . 0.51 108.511 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -65.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.206 -1.361 . . . . 0.41 110.409 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -55.61 27.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.985 -0.746 . . . . 1.35 108.985 173.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 2063 ' ' LEU . 75.1 t -52.45 -49.25 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.39 -0.823 . . . . 0.22 110.63 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.54 -49.8 76.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.537 -1.21 . . . . 0.17 111.827 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.83 -32.14 72.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.091 0.472 . . . . 0.23 110.895 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.76 85.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.614 -0.721 . . . . 0.24 110.346 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.816 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.17 -26.24 25.25 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.178 -0.609 . . . . 0.28 110.422 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.531 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.38 -44.26 54.81 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.187 -0.672 . . . . 0.31 109.187 167.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 81.8 m -71.55 -49.21 42.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.428 -0.805 . . . . 0.46 110.892 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.727 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.38 -42.35 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 113.189 0.811 . . . . 0.56 113.189 -176.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.0 mt -79.22 -24.54 43.04 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.377 0.608 . . . . 0.74 109.935 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.47 55.42 1.45 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.35 -0.841 . . . . 0.93 112.864 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.47 -5.0 0.44 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.328 0.492 . . . . 0.97 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.531 ' C ' ' HB1' ' A' 2072 ' ' ALA . 76.4 m-70 68.48 -34.0 0.25 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.311 1.597 . . . . 1.56 115.311 169.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.8 p -80.16 123.67 83.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.502 0.927 . . . . 1.82 113.502 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' 2079 ' ' THR . 5.4 Cg_exo -83.62 -15.76 7.12 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.807 3.005 . . . . 0.51 111.156 174.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.56 -19.71 45.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.735 -0.666 . . . . 1.54 110.663 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.4 t -93.87 22.07 6.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.63 109.935 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.639 HD12 HG23 ' A' 2071 ' ' THR . 11.4 mm -105.14 111.71 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.561 -0.745 . . . . 0.25 110.422 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 112.23 34.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.546 -0.297 . . . . 0.28 110.558 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.527 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.21 -28.9 39.9 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 C-N-CA 122.55 2.167 . . . . 0.15 112.62 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.32 55.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.64 -0.709 . . . . 0.14 111.076 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 47.7 m -82.2 148.68 28.31 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.535 0.683 . . . . 0.16 109.285 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.586 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.56 142.17 32.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.797 -1.092 . . . . 0.15 109.583 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -49.1 -35.71 16.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.205 -0.907 . . . . 0.12 112.007 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.622 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.41 -64.8 0.7 Allowed 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 123.556 0.535 . . . . 1.69 110.574 174.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.8 t70 -55.58 -31.86 62.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 2.27 111.009 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' 2089 ' ' PHE . 79.3 mt -72.34 -18.11 61.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.807 -0.633 . . . . 0.24 112.048 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.84 9.23 7.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.397 -0.906 . . . . 0.2 113.708 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2119 ' ' ILE . 2.9 mm -76.27 129.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.249 0.547 . . . . 0.32 112.329 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.48 179.63 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.601 -0.727 . . . . 1.86 109.191 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 50.0 m -59.93 -34.02 72.67 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.357 0.526 . . . . 1.32 111.253 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.731 ' O ' ' HB3' ' A' 2100 ' ' LEU . 0.0 OUTLIER -64.0 -62.87 1.35 Allowed 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.628 0.771 . . . . 1.61 109.722 178.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.727 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -64.05 -26.73 68.69 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 113.976 1.102 . . . . 0.19 113.976 179.139 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.546 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.45 -20.4 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.007 0.908 . . . . 0.24 109.58 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.731 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.2 OUTLIER -87.74 -48.29 7.98 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.275 -1.329 . . . . 1.15 108.595 177.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.532 ' N ' HD13 ' A' 2100 ' ' LEU . 24.6 mt-10 -56.52 -37.2 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.193 -0.912 . . . . 0.46 111.803 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 4.3 mt -57.94 -61.74 2.32 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.458 -0.337 . . . . 1.13 111.178 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -47.99 -44.88 30.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.254 -0.885 . . . . 2.11 110.912 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.4 111.84 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.9 m -80.3 -43.45 21.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.926 0.393 . . . . 0.33 110.911 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.89 -46.87 73.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.116 -0.493 . . . . 1.47 111.864 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 2.0 t -67.3 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.397 0.618 . . . . 0.67 109.872 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.58 -48.96 52.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 1.29 110.173 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.8 -45.08 83.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.6 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.665 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.5 p -75.32 -25.94 58.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.28 0.562 . . . . 0.33 109.761 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.56 0.85 83.92 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.105 -0.952 . . . . 0.36 111.934 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.921 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -98.58 -160.35 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.455 -0.572 . . . . 0.47 109.455 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . 0.496 ' HA ' ' OG1' ' A' 2107 ' ' THR . 21.0 t70 -136.41 117.72 14.61 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.495 -0.775 . . . . 0.43 110.175 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.09 157.54 50.5 Favored Pre-proline 0 C--N 1.304 -1.393 0 CA-C-N 114.104 -1.407 . . . . 1.25 110.076 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.478 ' O ' ' HG ' ' A' 2118 ' ' LEU . 83.5 Cg_endo -77.08 148.39 27.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.849 2.366 . . . . 0.33 111.854 174.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.73 -11.45 30.74 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.435 2.09 . . . . 0.46 111.153 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -91.98 6.23 47.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.477 -0.783 . . . . 0.36 111.93 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 2115 ' ' PRO . 13.2 mt -37.72 -63.69 0.44 Allowed 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.598 0.713 . . . . 0.79 112.353 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2094 ' ' ILE . 6.4 mm -57.57 -24.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.113 -1.403 . . . . 0.28 111.792 -175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.07 -29.52 18.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.38 111.328 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.51 -32.02 20.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 1.34 110.881 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.4 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 74.3 m-70 -140.77 79.8 18.73 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 108.609 -0.886 . . . . 0.43 108.609 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.95 103.39 0.22 Allowed 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 121.864 1.71 . . . . 0.25 113.153 -172.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.75 HG23 ' O ' ' A' 2123 ' ' PRO . 4.8 p 167.87 157.23 0.14 Allowed Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 128.126 2.571 . . . . 0.13 104.766 160.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.454 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.1 -37.22 96.71 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 CA-C-N 121.528 1.581 . . . . 0.14 110.132 170.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.527 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 46.0 t60 -64.49 -48.95 73.27 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.789 -0.642 . . . . 0.42 111.395 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.33 -40.57 71.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.041 0.448 . . . . 0.13 110.961 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.537 HD11 HD13 ' A' 2119 ' ' ILE . 41.3 mt -75.14 -35.91 61.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.215 -0.448 . . . . 0.14 111.645 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 99.4 m -59.22 -30.93 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.648 0.737 . . . . 0.24 109.468 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.6 mm100 -78.87 -42.06 28.31 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.117 -0.947 . . . . 1.66 110.878 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.444 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.0 t60 -71.06 -52.05 21.69 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.35 110.814 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' 2063 ' ' LEU . 25.7 mt -63.93 -27.94 69.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 1.13 111.721 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . 0.439 ' HB2' HD21 ' A' 2063 ' ' LEU . 16.1 t-80 -66.94 -42.83 84.62 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.894 -0.78 . . . . 0.31 108.894 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 30.9 m -62.25 -46.97 86.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.533 -0.758 . . . . 0.36 109.934 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' 2112 ' ' LEU . 14.1 mmm180 -57.68 -48.75 78.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.631 . . . . 1.64 112.412 -178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.921 HD23 HD21 ' A' 2112 ' ' LEU . 89.4 mt -65.49 -22.81 66.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.755 0.65 . . . . 0.97 112.755 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 112.649 0.611 . . . . 0.68 112.649 -172.385 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 85.3 Cg_exo . . . . . 0 N--CA 1.461 -0.42 0 N-CA-C 112.873 0.297 . . . . 0.86 112.873 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 50.6 tt0 -62.96 -38.96 93.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.95 111.441 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.98 -43.86 98.22 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.181 0.515 . . . . 1.6 109.622 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.855 . . . . 1.5 110.089 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -61.0 -59.15 5.82 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 116.071 -0.513 . . . . 0.95 110.263 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.52 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 92.1 mt-30 -50.92 -35.37 32.78 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.305 0.378 . . . . 1.32 111.601 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 86.6 m -58.22 -55.41 35.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.788 -0.642 . . . . 0.77 111.296 173.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.3 pp -77.79 -19.04 55.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.015 0.912 . . . . 1.32 109.519 -176.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.06 -48.86 64.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.989 -1.46 . . . . 0.51 108.329 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.4 m -62.48 -35.07 78.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 113.871 -1.513 . . . . 0.41 110.304 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -58.13 -61.91 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.644 -0.872 . . . . 1.35 108.644 175.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 2063 ' ' LEU . 62.2 t -53.64 -45.89 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.779 -1.1 . . . . 0.22 111.087 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -66.13 -46.52 77.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.344 -0.844 . . . . 0.17 111.797 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -65.01 -30.76 71.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.23 110.509 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.05 88.98 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.24 110.257 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.819 HG23 HD12 ' A' 2083 ' ' ILE . 9.9 t -85.87 -23.63 27.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.291 -0.564 . . . . 0.28 110.383 -177.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -52.83 -46.05 67.6 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.199 -0.667 . . . . 0.31 109.199 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.0 m -65.32 -50.18 66.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.686 -1.143 . . . . 0.46 110.675 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.85 HG22 HG22 ' A' 2098 ' ' THR . 1.2 t -62.65 -44.49 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.067 -0.97 . . . . 0.56 113.25 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.9 mt -75.82 -29.95 58.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.759 0.314 . . . . 0.74 110.591 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 113.29 49.11 0.57 Allowed Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.322 -0.942 . . . . 0.93 113.944 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.3 -10.23 0.74 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.66 0.615 . . . . 0.97 112.66 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 89.5 m-70 71.05 -49.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.232 0.827 . . . . 1.56 113.232 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.4 t -89.5 144.03 31.48 Favored Pre-proline 0 C--O 1.241 0.638 0 CA-C-O 121.957 0.885 . . . . 1.82 112.115 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.494 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 1.5 Cg_endo -86.36 2.61 7.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 125.326 4.017 . . . . 0.51 111.43 -178.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -74.07 -4.45 35.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.374 -0.83 . . . . 1.54 110.581 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 44.8 t -118.73 18.74 13.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.63 110.034 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.819 HD12 HG23 ' A' 2071 ' ' THR . 14.3 mm -102.22 103.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.783 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 15.9 m -79.87 115.72 56.03 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.148 -0.478 . . . . 0.28 109.883 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.499 ' O ' ' HB ' ' A' 2124 ' ' THR . 18.9 Cg_endo -65.43 -28.78 54.03 Favored 'Trans proline' 0 CA--C 1.513 -0.571 0 C-N-CA 122.596 2.197 . . . . 0.15 112.494 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.28 53.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.718 -0.674 . . . . 0.14 111.113 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.445 ' O ' HG22 ' A' 2124 ' ' THR . 31.2 m -74.08 145.64 44.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.05 -0.722 . . . . 0.16 109.05 174.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -87.01 145.65 26.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.159 -0.928 . . . . 0.15 110.213 -177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 44.2 m-85 -44.3 -40.43 5.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.135 -0.938 . . . . 0.12 111.204 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -45.35 -67.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 1.69 111.726 172.789 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.9 -27.67 66.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 2.27 111.66 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.51 -15.03 58.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.981 -0.554 . . . . 0.24 112.04 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.34 17.16 5.8 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.196 -1.002 . . . . 0.2 113.903 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2119 ' ' ILE . 0.5 OUTLIER -77.37 133.74 30.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 117.222 0.511 . . . . 0.32 112.092 178.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -110.34 179.99 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.722 -0.672 . . . . 1.86 109.3 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 57.5 p -63.22 -33.31 75.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.356 0.598 . . . . 1.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' 2100 ' ' LEU . 50.6 mt -69.08 -48.45 62.64 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.081 -0.963 . . . . 1.61 110.47 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.85 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -75.08 -26.46 59.36 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.32 -0.854 . . . . 0.19 112.98 178.114 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.21 -21.04 58.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.061 0.934 . . . . 0.24 109.423 171.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.734 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.4 OUTLIER -84.42 -49.84 8.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.104 -1.407 . . . . 1.15 108.507 178.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.492 ' N ' HD13 ' A' 2100 ' ' LEU . 25.7 mt-10 -55.23 -43.14 74.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.808 -1.087 . . . . 0.46 112.082 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' 2071 ' ' THR . 5.8 mt -53.77 -67.17 0.28 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.88 0.371 . . . . 1.13 111.811 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.1 OUTLIER -50.53 -34.11 24.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.236 -0.893 . . . . 2.11 110.732 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' 2103 ' ' ARG . 36.2 m-20 -59.59 -52.15 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.4 111.151 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.5 m -66.21 -39.09 89.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.98 0.419 . . . . 0.33 110.776 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' 2102 ' ' LEU . 6.9 mp -64.65 -54.22 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.896 -0.593 . . . . 1.47 111.558 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.9 t -64.9 -28.12 69.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.67 110.161 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.8 t60 -66.29 -53.18 39.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.518 -0.764 . . . . 1.29 110.215 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.8 -44.3 86.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.922 -1.036 . . . . 0.4 112.736 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 54.7 p -76.18 -24.45 54.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.768 0.794 . . . . 0.33 109.435 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.18 3.1 89.11 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.878 -1.056 . . . . 0.36 112.094 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.784 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -91.77 -157.8 0.53 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.259 0.552 . . . . 0.47 109.881 -178.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -135.2 123.94 23.8 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.869 -1.06 . . . . 0.43 109.315 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.538 HD13 HD11 ' A' 2118 ' ' LEU . 72.7 mt -128.72 151.62 77.42 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.366 -0.833 . . . . 1.25 111.833 -169.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' 2118 ' ' LEU . 80.4 Cg_endo -80.57 155.83 21.38 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.16 2.574 . . . . 0.33 111.407 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.2 Cg_endo -77.94 -0.36 10.59 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.937 1.758 . . . . 0.46 111.432 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -96.06 -0.22 50.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.36 112.018 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.538 HD11 HD13 ' A' 2114 ' ' LEU . 30.9 mt -40.28 -62.37 0.76 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.737 0.78 . . . . 0.79 112.153 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2094 ' ' ILE . 8.6 mm -57.67 -22.61 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.77 -1.559 . . . . 0.28 111.742 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -90.27 -33.32 16.18 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.38 111.698 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.26 -41.1 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.17 0.509 . . . . 1.34 111.554 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -128.22 74.76 79.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.251 -1.018 . . . . 0.43 108.251 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' 2124 ' ' THR . 44.5 Cg_endo -92.28 102.31 0.19 Allowed 'Trans proline' 0 N--CA 1.433 -2.032 0 C-N-CA 121.622 1.548 . . . . 0.25 112.372 -170.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.739 HG23 ' O ' ' A' 2123 ' ' PRO . 2.1 p 168.97 157.05 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 127.736 2.414 . . . . 0.13 105.158 163.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -55.96 -38.73 94.24 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 CA-C-N 120.828 1.332 . . . . 0.14 109.91 170.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' A' 2130 ' ' GLN . 66.8 t60 -66.72 -46.46 75.41 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.42 112.022 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.85 73.3 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.082 0.468 . . . . 0.13 110.756 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.473 HD11 HD13 ' A' 2119 ' ' ILE . 39.9 mt -75.81 -29.18 58.59 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.14 111.442 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 55.0 m -61.85 -26.06 67.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.611 0.719 . . . . 0.24 109.211 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.8 mt-30 -80.91 -52.16 7.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.28 -0.873 . . . . 1.66 110.245 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.588 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.8 t60 -58.92 -54.09 51.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.286 -0.415 . . . . 0.35 111.502 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.413 HD11 HD11 ' A' 2114 ' ' LEU . 2.1 mm? -64.28 -29.1 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.871 0.323 . . . . 1.13 111.871 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' 2137 ' ' THR . 11.3 t-160 -68.39 -46.04 71.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.31 109.252 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 42.0 m -64.7 -45.75 85.27 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.351 -0.386 . . . . 0.36 110.878 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.1 mmp_? -49.04 -49.32 41.88 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.847 0.356 . . . . 1.64 111.666 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.784 HD23 HD21 ' A' 2112 ' ' LEU . 97.1 mt -65.3 -38.58 90.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.089 -0.505 . . . . 0.97 112.171 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . 0.467 HG23 ' O ' ' A' 2133 ' ' HIS . 82.5 p . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.68 111.597 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.737 ' O ' ' HG3' ' A' 2060 ' ' GLN . 28.6 Cg_exo . . . . . 0 N--CA 1.465 -0.183 0 N-CA-C 113.55 0.558 . . . . 0.86 113.55 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.35 -39.22 86.37 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.244 0.34 . . . . 1.95 111.345 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.1 -43.93 91.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.368 0.604 . . . . 1.6 109.827 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' 2062 ' ' THR . 43.1 mt-30 -66.69 -39.47 88.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.293 -0.867 . . . . 1.5 110.272 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.737 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.0 mt-30 -60.35 -58.58 7.89 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.112 -0.495 . . . . 0.95 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 56.6 mt-30 -54.48 -33.58 60.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.092 0.473 . . . . 1.32 111.573 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.589 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.9 m -53.15 -52.15 59.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.575 -0.739 . . . . 0.77 110.794 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.03 -23.77 41.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.775 0.798 . . . . 1.32 109.709 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.46 -32.05 72.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.391 -1.277 . . . . 0.51 108.858 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.1 m -85.64 -34.96 21.22 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.679 -1.601 . . . . 0.41 110.249 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -59.59 5.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.57 0.7 . . . . 1.35 109.304 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.516 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 55.5 t -55.76 -41.41 65.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.196 . . . . 0.22 110.897 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.76 -47.56 77.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.796 -1.093 . . . . 0.17 111.159 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.514 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.83 -31.55 70.97 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.116 0.484 . . . . 0.23 110.992 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.531 -0.759 . . . . 0.24 110.372 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.783 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -87.07 -24.81 24.45 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 119.869 -0.733 . . . . 0.28 110.598 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -50.71 -45.52 58.45 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.275 -0.639 . . . . 0.31 109.275 167.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.8 m -71.58 -48.95 44.96 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.296 -0.865 . . . . 0.46 110.803 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.781 HG22 HG22 ' A' 2098 ' ' THR . 0.8 OUTLIER -59.31 -41.92 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 113.277 0.843 . . . . 0.56 113.277 -175.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' A' 2071 ' ' THR . 8.9 mt -79.28 -24.29 43.0 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.199 0.523 . . . . 0.74 110.285 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.71 51.22 2.0 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.93 112.67 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.2 p80 -142.91 -3.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.625 -0.43 . . . . 0.97 111.843 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.529 ' C ' ' HB1' ' A' 2072 ' ' ALA . 36.3 m-70 66.52 -43.71 0.42 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.156 1.539 . . . . 1.56 115.156 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.521 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.3 p -73.4 123.47 89.49 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 113.599 0.963 . . . . 1.82 113.599 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.6 Cg_exo -84.37 -13.68 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.961 3.107 . . . . 0.51 110.761 174.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' 2081 ' ' GLU . 7.3 pt-20 -81.93 -18.01 45.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.032 -0.986 . . . . 1.54 110.502 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.1 t -92.39 17.45 9.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.592 0.711 . . . . 0.63 110.067 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.553 HD12 HG23 ' A' 2071 ' ' THR . 12.3 mm -102.68 124.57 56.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.729 -0.669 . . . . 0.25 110.61 -177.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 14.6 m -90.59 109.24 32.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.28 110.329 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.91 -26.78 51.43 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 C-N-CA 122.698 2.265 . . . . 0.15 112.583 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.65 -30.59 46.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.536 -0.756 . . . . 0.14 111.346 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.1 m -75.12 146.91 40.98 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.45 0.643 . . . . 0.16 109.506 176.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.78 141.5 34.68 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.088 -0.96 . . . . 0.15 109.416 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.53 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.6 m-85 -46.35 -37.93 8.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.12 112.342 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.516 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.58 -64.73 0.72 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.263 0.554 . . . . 1.69 110.572 175.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.54 -30.87 65.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.843 -1.072 . . . . 2.27 111.274 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' 2089 ' ' PHE . 82.9 mt -71.06 -14.91 62.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.24 112.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.74 4.53 14.92 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.235 -0.983 . . . . 0.2 113.456 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2119 ' ' ILE . 6.1 mm -68.91 133.04 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.312 0.577 . . . . 0.32 112.485 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 30.7 t70 -110.42 167.98 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.159 -0.928 . . . . 1.86 108.794 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.2 m -52.45 -39.31 60.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.306 0.503 . . . . 1.32 111.926 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.3 tp -63.48 -55.35 24.81 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.132 0.573 . . . . 1.61 110.945 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.781 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.89 -25.96 63.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.878 0.696 . . . . 0.19 112.878 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.77 -24.64 64.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.871 0.843 . . . . 0.24 109.316 170.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -37.28 14.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.829 -1.078 . . . . 1.15 109.144 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' 2097 ' ' LEU . 27.8 mt-10 -65.54 -37.66 87.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.546 . . . . 0.46 110.882 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 2106 ' ' LEU . 11.0 mt -55.43 -58.71 6.62 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.313 0.577 . . . . 1.13 110.055 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.0 tmt_? -48.14 -43.71 31.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.191 -1.368 . . . . 2.11 110.882 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.87 -44.14 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 0.4 111.359 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 62.6 m -75.31 -40.86 58.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 0.33 111.202 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 2102 ' ' LEU . 84.0 mt -68.4 -47.8 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.47 111.427 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.7 t -65.54 -27.02 68.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.31 0.576 . . . . 0.67 109.818 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.71 -52.44 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 1.29 110.411 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -60.32 -43.79 96.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.279 -0.873 . . . . 0.4 112.195 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.504 HG21 HD12 ' A' 2132 ' ' LEU . 40.4 p -78.22 -28.01 47.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.457 0.646 . . . . 0.33 110.072 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.94 7.17 74.64 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.151 -0.932 . . . . 0.36 112.062 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.85 -158.94 0.7 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.295 0.569 . . . . 0.47 109.973 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -135.67 124.34 23.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.941 -1.027 . . . . 0.43 109.646 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.1 mt -133.6 155.13 80.84 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 115.172 -0.922 . . . . 1.25 111.47 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -81.09 154.03 19.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.309 2.673 . . . . 0.33 111.843 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.17 1.1 7.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.1 1.867 . . . . 0.46 111.551 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.6 p -96.14 -0.02 50.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.36 111.786 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 51.4 mt -38.15 -62.26 0.59 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.578 0.704 . . . . 0.79 112.065 173.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2094 ' ' ILE . 9.3 mm -57.03 -25.28 22.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 113.86 -1.518 . . . . 0.28 111.718 -175.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -90.41 -32.18 16.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.331 -0.395 . . . . 0.38 111.967 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.62 -33.21 21.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.297 0.57 . . . . 1.34 110.671 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -132.3 74.34 76.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.529 -0.915 . . . . 0.43 108.529 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' 2124 ' ' THR . 19.6 Cg_endo -91.61 102.94 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.771 0 C-N-CA 122.032 1.821 . . . . 0.25 112.625 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.732 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.56 156.31 0.13 Allowed Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 127.853 2.461 . . . . 0.13 105.206 160.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.1 Cg_exo -55.93 -37.44 95.99 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.356 1.52 . . . . 0.14 110.487 172.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 2130 ' ' GLN . 69.5 t60 -68.61 -43.16 76.99 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.42 111.618 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.45 75.52 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.959 0.409 . . . . 0.13 110.782 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.486 HD11 HD13 ' A' 2119 ' ' ILE . 50.4 mt -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.347 -0.388 . . . . 0.14 111.367 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 54.4 m -58.63 -31.96 68.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.095 -0.706 . . . . 0.24 109.095 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.2 mt-30 -80.35 -41.29 25.03 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.017 -0.992 . . . . 1.66 110.273 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.49 -53.89 36.03 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-N 116.413 -0.358 . . . . 0.35 111.404 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.504 HD12 HG21 ' A' 2110 ' ' THR . 2.1 mm? -61.55 -31.29 71.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.617 0.246 . . . . 1.13 111.167 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.58 -39.49 70.53 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.714 -0.476 . . . . 0.31 109.714 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 99.4 m -62.8 -51.12 68.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.36 110.257 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.0 mmm180 -46.95 -56.46 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.722 0.638 . . . . 1.64 112.722 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.691 HD23 HD21 ' A' 2112 ' ' LEU . 79.8 mt -63.48 -38.74 92.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.97 112.215 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 120.957 0.408 . . . . 0.68 111.349 -174.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' 2060 ' ' GLN . 12.6 Cg_exo . . . . . 0 CA--C 1.532 0.392 0 N-CA-C 114.712 1.005 . . . . 0.86 114.712 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -64.7 -42.82 95.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.613 0.188 . . . . 1.95 111.075 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . 0.618 ' HA ' HE21 ' A' 2058 ' ' GLN . 0.0 OUTLIER -60.19 -40.53 90.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.369 0.604 . . . . 1.6 109.449 175.394 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.636 ' O ' ' HB ' ' A' 2062 ' ' THR . 97.9 mt-30 -59.64 -40.9 89.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.047 -0.978 . . . . 1.5 110.266 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.6 mt-30 -62.21 -53.49 54.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.822 0.344 . . . . 0.95 110.45 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.703 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 49.2 mt-30 -52.5 -30.93 32.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.48 -0.782 . . . . 1.32 111.475 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.7 m -53.22 -57.28 11.03 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.378 -0.828 . . . . 0.77 111.722 174.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.605 HD22 ' H ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -72.28 -35.89 68.83 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 108.462 -0.94 . . . . 1.32 108.462 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -54.17 -42.14 69.29 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.643 -1.617 . . . . 0.51 109.706 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 33.1 m -78.41 -43.12 28.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.059 -1.428 . . . . 0.41 111.304 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.3 tp -57.13 -59.74 4.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.515 0.674 . . . . 1.35 110.975 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.456 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 53.3 t -52.98 -42.14 43.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.397 -1.274 . . . . 0.22 111.169 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -67.89 -46.88 70.4 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.426 -0.806 . . . . 0.17 111.051 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.506 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.46 -32.03 72.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.2 0.524 . . . . 0.23 110.626 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.72 86.97 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.49 -0.777 . . . . 0.24 110.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.0 t -86.79 -25.01 24.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.853 -0.739 . . . . 0.28 110.439 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.595 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -51.79 -44.28 63.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.221 -0.659 . . . . 0.31 109.221 166.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.3 m -69.82 -49.84 48.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.267 -0.879 . . . . 0.46 110.792 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.824 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -60.95 -40.13 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 113.421 0.897 . . . . 0.56 113.421 -174.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -81.2 -22.05 39.15 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.253 0.549 . . . . 0.74 110.16 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 91.44 54.11 2.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.582 -0.736 . . . . 0.93 112.607 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.6 p80 -145.66 -6.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.621 -0.432 . . . . 0.97 111.944 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.546 ' C ' ' HB1' ' A' 2072 ' ' ALA . 29.1 m-70 67.18 -34.29 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.286 1.587 . . . . 1.56 115.286 171.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 13.6 p -79.05 122.36 84.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 113.582 0.956 . . . . 1.82 113.582 -175.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.506 ' HB3' ' N ' ' A' 2069 ' ' ALA . 3.6 Cg_exo -85.15 -17.97 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.925 3.083 . . . . 0.51 111.086 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.68 -18.9 56.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.448 -0.796 . . . . 1.54 110.342 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -94.61 21.01 7.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.366 0.603 . . . . 0.63 110.219 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.598 HD12 HG23 ' A' 2071 ' ' THR . 12.8 mm -104.63 111.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.522 -0.763 . . . . 0.25 110.352 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.0 m -79.96 113.16 35.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.624 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 27.5 Cg_endo -66.78 -27.39 44.37 Favored 'Trans proline' 0 CA--C 1.513 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.15 112.995 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.01 53.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.939 -0.573 . . . . 0.14 111.441 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 29.4 m -74.63 146.89 42.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.45 0.643 . . . . 0.16 109.394 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.557 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.42 143.56 30.2 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.001 -0.999 . . . . 0.15 109.612 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.5 ' HB3' HG13 ' A' 2094 ' ' ILE . 33.5 m-85 -49.37 -38.94 30.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.655 -0.702 . . . . 0.12 112.056 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.62 -63.24 1.14 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.219 0.533 . . . . 1.69 110.628 174.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.437 ' HB3' ' CG2' ' A' 2087 ' ' THR . 15.0 t70 -57.53 -30.79 65.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.038 -0.983 . . . . 2.27 111.048 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' 2089 ' ' PHE . 88.7 mt -73.27 -17.96 61.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.734 -0.666 . . . . 0.24 112.33 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.77 4.24 9.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.079 -1.058 . . . . 0.2 113.458 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2119 ' ' ILE . 5.5 mm -69.54 129.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.111 0.782 . . . . 0.32 113.111 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -105.48 178.02 4.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.343 -0.844 . . . . 1.86 108.854 172.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 12.4 p -60.64 -42.95 97.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.085 0.469 . . . . 1.32 111.372 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' 2101 ' ' GLU . 11.4 tp -60.54 -54.1 49.48 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.57 -0.741 . . . . 1.61 110.893 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.824 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.31 -26.54 63.83 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.039 0.755 . . . . 0.19 113.039 -179.012 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.486 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.13 -23.52 63.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.905 0.86 . . . . 0.24 109.521 170.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.82 -37.43 14.48 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.83 -1.077 . . . . 1.15 109.058 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.47 ' HG3' ' HA ' ' A' 2098 ' ' THR . 32.7 mt-10 -65.11 -36.87 85.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.072 -0.513 . . . . 0.46 111.37 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 2071 ' ' THR . 12.8 mt -55.38 -61.44 2.33 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.285 0.564 . . . . 1.13 110.011 171.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.3 tmt_? -49.17 -40.1 31.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.413 -1.267 . . . . 2.11 111.248 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.7 m-20 -55.01 -51.94 64.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.4 110.827 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 8.4 m -67.83 -41.19 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.64 . . . . 0.33 110.498 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2102 ' ' LEU . 5.8 mp -60.52 -59.9 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 1.47 112.0 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.7 t -65.37 -27.92 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.998 0.427 . . . . 0.67 110.635 -174.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.7 -53.26 35.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.408 0.623 . . . . 1.29 110.136 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.93 -34.83 79.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.864 -1.062 . . . . 0.4 112.688 -176.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 32.9 p -83.78 -27.03 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.115 0.483 . . . . 0.33 111.01 -173.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.54 12.27 75.75 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.423 -0.808 . . . . 0.36 112.031 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -108.31 -160.08 0.71 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.316 0.579 . . . . 0.47 110.024 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -134.35 125.45 27.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.845 -1.07 . . . . 0.43 109.379 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 83.3 mt -133.56 152.66 79.47 Favored Pre-proline 0 C--N 1.309 -1.155 0 CA-C-N 115.148 -0.933 . . . . 1.25 110.879 -172.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' 2118 ' ' LEU . 68.8 Cg_endo -79.75 150.72 21.5 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 123.135 2.556 . . . . 0.33 112.092 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.07 -0.32 8.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.277 1.985 . . . . 0.46 111.548 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 8.5 p -98.77 4.18 47.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.775 -0.648 . . . . 0.36 112.131 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' 2115 ' ' PRO . 49.9 mt -38.94 -63.02 0.56 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.522 0.677 . . . . 0.79 112.219 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2094 ' ' ILE . 6.9 mm -57.22 -23.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 113.978 -1.465 . . . . 0.28 111.784 -175.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -86.91 -31.12 20.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.258 -0.428 . . . . 0.38 111.706 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.23 -36.37 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.287 0.565 . . . . 1.34 111.014 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -126.06 72.16 70.18 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.659 -0.867 . . . . 0.43 108.659 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.779 ' O ' HG23 ' A' 2124 ' ' THR . 14.4 Cg_endo -91.79 103.23 0.22 Allowed 'Trans proline' 0 N--CA 1.437 -1.824 0 C-N-CA 121.82 1.68 . . . . 0.25 112.838 -171.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.779 HG23 ' O ' ' A' 2123 ' ' PRO . 6.9 p 168.32 159.15 0.16 Allowed Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 128.031 2.532 . . . . 0.13 104.959 159.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -57.23 -37.11 98.82 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 CA-C-N 121.192 1.462 . . . . 0.14 110.21 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.636 ' O ' ' HG3' ' A' 2130 ' ' GLN . 70.2 t60 -67.27 -47.79 69.66 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.42 111.592 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.26 67.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.127 0.421 . . . . 0.13 110.801 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.428 HD11 HD13 ' A' 2119 ' ' ILE . 37.6 mt -76.32 -33.76 59.02 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.184 -0.462 . . . . 0.14 111.398 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 42.8 m -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.984 -0.747 . . . . 0.24 108.984 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -74.61 -47.24 33.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.109 -0.95 . . . . 1.66 110.097 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.09 -51.71 65.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.047 -0.524 . . . . 0.35 111.297 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' 2136 ' ' LEU . 2.2 mm? -63.28 -37.21 86.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 121.078 -0.249 . . . . 1.13 111.31 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.85 -32.66 73.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.124 -0.695 . . . . 0.31 109.124 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.7 m -69.94 -46.42 65.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.36 110.589 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.793 ' HB3' HD13 ' A' 2112 ' ' LEU . 7.8 mmm180 -62.87 -51.01 68.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.736 0.643 . . . . 1.64 112.736 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' 2132 ' ' LEU . 4.2 mm? -63.62 -17.89 63.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.057 0.762 . . . . 0.97 113.057 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.683 0.754 . . . . 0.68 111.298 -177.296 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.536 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.2 Cg_exo . . . . . 0 CA--C 1.531 0.341 0 N-CA-C 115.529 1.319 . . . . 0.86 115.529 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.49 -36.63 81.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 1.95 110.692 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' 2058 ' ' GLN . 12.9 mm-40 -64.96 -40.27 94.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.575 -0.528 . . . . 1.6 109.575 174.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.577 ' O ' ' HB ' ' A' 2062 ' ' THR . 29.3 mt-30 -57.87 -40.78 81.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.302 -0.863 . . . . 1.5 110.259 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 2063 ' ' LEU . 18.9 mt-30 -60.16 -58.8 6.98 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.123 -0.49 . . . . 0.95 110.201 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.7 mt-30 -53.28 -35.85 60.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.029 0.443 . . . . 1.32 111.3 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.1 m -53.47 -55.31 26.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.77 111.339 172.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.36 -21.62 45.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.862 0.839 . . . . 1.32 109.465 -175.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.7 -43.71 92.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.995 -1.457 . . . . 0.51 108.553 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.6 m -70.28 -34.85 73.27 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 113.522 -1.672 . . . . 0.41 110.607 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -52.72 64.36 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.312 -0.625 . . . . 1.35 109.312 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' 2063 ' ' LEU . 58.2 t -56.75 -46.38 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.22 111.088 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.67 83.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.573 -0.74 . . . . 0.17 111.246 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.531 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.23 110.491 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.75 84.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.487 -0.779 . . . . 0.24 110.396 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.737 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -87.67 -20.48 26.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 119.908 -0.717 . . . . 0.28 110.524 -176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.34 52.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.876 -0.602 . . . . 0.31 109.764 169.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.7 m -65.89 -49.04 69.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.055 -0.975 . . . . 0.46 110.877 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.793 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -59.89 -45.73 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.56 112.963 -176.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.5 mt -76.47 -31.11 57.6 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.9 0.381 . . . . 0.74 111.012 -176.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 114.76 47.66 0.56 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.381 -0.914 . . . . 0.93 113.923 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 2078 ' ' HIS . 0.2 OUTLIER -139.62 -17.14 1.0 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 117.416 0.608 . . . . 0.97 112.503 174.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' 2077 ' ' HIS . 31.1 m-70 70.55 -38.86 0.43 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.455 HG23 ' OE1' ' A' 2081 ' ' GLU . 1.3 t -90.82 142.01 27.29 Favored Pre-proline 0 C--O 1.238 0.477 0 CA-C-O 121.713 0.768 . . . . 1.82 111.93 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.531 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.0 Cg_endo -89.43 -0.17 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.341 1 C-N-CA 125.44 4.093 . . . . 0.51 112.601 -178.205 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.455 ' OE1' HG23 ' A' 2079 ' ' THR . 1.3 pm0 -67.77 -10.55 53.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.664 -0.698 . . . . 1.54 110.771 -175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 42.2 t -116.68 18.98 14.77 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.14 -0.936 . . . . 0.63 110.552 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.698 HD12 HG23 ' A' 2071 ' ' THR . 15.0 mm -100.29 111.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.659 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.2 m -87.32 113.65 54.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.28 110.4 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.47 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.7 Cg_endo -65.54 -29.45 52.75 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.747 2.298 . . . . 0.15 112.811 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.903 -0.589 . . . . 0.14 111.185 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.451 ' O ' HG22 ' A' 2124 ' ' THR . 35.3 m -76.38 148.42 37.38 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.336 -0.616 . . . . 0.16 109.336 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.579 ' HA ' HG22 ' A' 2124 ' ' THR . . . -84.01 143.31 29.86 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.341 -0.845 . . . . 0.15 109.662 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.526 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.6 m-85 -47.95 -39.47 19.39 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.745 0.653 . . . . 0.12 111.784 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.59 -63.2 1.07 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.689 -0.687 . . . . 1.69 111.375 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.448 ' HB3' ' CG2' ' A' 2087 ' ' THR . 13.8 t70 -57.81 -31.93 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 2.27 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' 2089 ' ' PHE . 83.9 mt -73.54 -15.02 61.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.57 -0.741 . . . . 0.24 112.303 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.12 0.99 11.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.126 -1.035 . . . . 0.2 113.618 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2119 ' ' ILE . 3.2 mm -67.69 129.94 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.492 0.663 . . . . 0.32 112.495 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -103.88 168.89 8.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.983 -1.117 . . . . 1.86 107.983 172.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 11.5 t -58.73 -31.89 68.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.619 0.645 . . . . 1.32 110.848 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.607 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.5 mt -68.39 -53.64 22.51 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.168 0.509 . . . . 1.61 109.771 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.793 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.16 -26.24 64.76 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.819 -0.628 . . . . 0.19 112.547 179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.547 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.76 -23.89 65.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.998 0.904 . . . . 0.24 109.527 170.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.16 -37.06 14.44 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.627 -1.17 . . . . 1.15 108.884 178.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.5 mt-10 -67.49 -35.91 80.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 0.46 111.5 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' 2071 ' ' THR . 9.5 mt -55.65 -63.77 1.06 Allowed 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.116 0.484 . . . . 1.13 111.012 174.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' 2100 ' ' LEU . 2.3 ppt_? -54.95 -30.13 58.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.926 -1.034 . . . . 2.11 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 69.3 m-20 -58.73 -48.36 81.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 0.4 110.617 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 28.0 m -70.52 -41.45 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.33 110.637 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.9 mp -61.12 -57.78 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.47 111.683 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 6.0 t -60.59 -28.06 68.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.256 0.551 . . . . 0.67 110.495 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.1 t60 -73.7 -48.79 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.29 110.623 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -66.54 -40.92 89.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.297 -0.865 . . . . 0.4 112.181 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.647 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.0 p -80.32 -24.53 39.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.979 -0.555 . . . . 0.33 110.364 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.13 9.55 82.05 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.36 112.121 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.78 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -103.08 -159.3 0.72 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.116 0.484 . . . . 0.47 109.776 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . 0.483 ' HA ' ' OG1' ' A' 2107 ' ' THR . 23.5 t70 -134.91 125.73 27.28 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.976 -1.011 . . . . 0.43 109.415 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.514 HD13 HD11 ' A' 2118 ' ' LEU . 72.2 mt -131.28 149.6 74.1 Favored Pre-proline 0 C--N 1.307 -1.28 0 CA-C-N 115.233 -0.894 . . . . 1.25 110.696 -172.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.44 157.0 25.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.251 2.634 . . . . 0.33 112.134 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -75.53 2.88 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.318 2.012 . . . . 0.46 111.158 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 19.4 p -106.57 5.96 29.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.471 -0.786 . . . . 0.36 112.081 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.514 HD11 HD13 ' A' 2114 ' ' LEU . 17.7 mt -42.42 -63.53 0.75 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.446 0.641 . . . . 0.79 112.088 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2094 ' ' ILE . 8.2 mm -56.58 -24.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.786 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -88.62 -32.26 18.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.38 111.697 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.46 -34.75 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.266 0.555 . . . . 1.34 110.603 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -131.77 77.08 73.23 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.373 -0.973 . . . . 0.43 108.373 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.686 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.07 102.95 0.26 Allowed 'Trans proline' 0 N--CA 1.44 -1.634 0 C-N-CA 121.443 1.429 . . . . 0.25 112.623 -172.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.686 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 158.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 127.757 2.423 . . . . 0.13 105.294 160.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.5 Cg_exo -57.08 -36.87 99.37 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 121.2 1.464 . . . . 0.14 110.074 170.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 71.3 t60 -69.29 -43.07 74.59 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.874 -0.603 . . . . 0.42 112.039 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.6 76.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.161 0.505 . . . . 0.13 110.424 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.454 HD11 HD13 ' A' 2119 ' ' ILE . 28.0 mt -71.98 -28.76 63.63 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.005 -0.543 . . . . 0.14 111.4 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.3 m -61.43 -29.22 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.24 109.277 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.17 -44.81 19.19 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.283 -0.872 . . . . 1.66 110.171 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' 2135 ' ' ARG . 78.7 t60 -69.24 -52.02 31.82 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.495 -0.321 . . . . 0.35 111.613 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.7 mm? -61.86 -28.78 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -68.46 -39.73 81.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.278 -0.638 . . . . 0.31 109.278 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.0 m -64.23 -46.55 83.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.36 110.392 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.693 ' HB3' HD13 ' A' 2112 ' ' LEU . 11.0 mmm180 -62.12 -46.24 89.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.158 -0.473 . . . . 1.64 111.986 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.78 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -74.07 -5.13 39.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.842 0.682 . . . . 0.97 112.842 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.203 0.525 . . . . 0.68 111.116 179.199 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.599 ' O ' ' HB2' ' A' 2059 ' ' GLN . 5.2 Cg_exo . . . . . 0 CA--C 1.53 0.324 0 N-CA-C 115.549 1.327 . . . . 0.86 115.549 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -71.37 -35.42 71.09 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.139 -0.624 . . . . 1.95 110.845 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.88 -42.27 97.61 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.039 -0.726 . . . . 1.6 109.039 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.599 ' HB2' ' O ' ' A' 2056 ' ' PRO . 93.4 mt-30 -53.55 -48.42 69.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.535 -1.212 . . . . 1.5 110.291 174.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' 2056 ' ' PRO . 42.5 mt-30 -59.29 -54.28 48.58 Favored 'General case' 0 C--O 1.203 -1.362 0 CA-C-N 115.498 -0.774 . . . . 0.95 110.134 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 70.7 mt-30 -52.54 -38.69 60.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.913 0.387 . . . . 1.32 111.511 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.2 m -54.24 -55.45 27.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.645 . . . . 0.77 111.428 173.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.8 pp -80.49 -18.67 47.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.928 0.871 . . . . 1.32 109.63 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.01 -46.97 76.02 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.973 -1.467 . . . . 0.51 108.089 174.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 91.0 m -63.25 -38.79 92.54 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.595 -1.639 . . . . 0.41 110.306 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -54.91 41.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 1.35 109.254 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.461 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -57.3 -46.27 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.247 -0.888 . . . . 0.22 111.021 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.474 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.0 -48.02 82.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.265 -0.88 . . . . 0.17 111.35 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -32.65 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.23 110.748 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.64 92.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.62 -0.718 . . . . 0.24 110.501 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.4 -26.97 23.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 120.002 -0.679 . . . . 0.28 110.389 -176.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -44.33 59.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.977 -0.749 . . . . 0.31 108.977 166.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.9 m -70.39 -50.07 42.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.231 -0.895 . . . . 0.46 111.03 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.79 HG22 HG22 ' A' 2098 ' ' THR . 0.6 OUTLIER -59.43 -43.41 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.146 0.795 . . . . 0.56 113.146 -175.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.7 mt -78.47 -26.64 46.14 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.218 0.532 . . . . 0.74 110.139 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 95.2 47.34 2.63 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.381 -0.827 . . . . 0.93 112.76 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.0 p80 -137.31 -8.61 1.73 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 120.427 -0.509 . . . . 0.97 111.722 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.5 m-70 72.37 -30.59 0.21 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.269 1.581 . . . . 1.56 115.269 166.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.3 p -84.4 125.01 72.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 119.36 0.982 . . . . 1.82 113.393 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.1 Cg_exo -85.63 -13.05 6.12 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.919 3.079 . . . . 0.51 110.862 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.82 -13.22 51.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 1.54 110.379 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.1 t -100.83 19.33 17.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.45 0.643 . . . . 0.63 109.891 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.556 HD12 HG23 ' A' 2071 ' ' THR . 14.2 mm -100.53 115.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.505 -0.77 . . . . 0.25 109.913 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 13.9 m -84.65 110.47 27.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 0.28 110.331 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 25.7 Cg_endo -66.46 -27.67 46.61 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 C-N-CA 122.48 2.12 . . . . 0.15 112.585 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.68 -30.65 52.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.14 110.96 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.438 ' O ' HG22 ' A' 2124 ' ' THR . 63.0 m -74.98 148.53 39.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.188 -0.671 . . . . 0.16 109.188 175.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.555 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.86 144.29 30.19 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.974 -1.012 . . . . 0.15 109.654 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 31.8 m-85 -49.14 -37.22 21.38 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.727 0.642 . . . . 0.12 111.873 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.08 -65.38 0.58 Allowed 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.917 -0.583 . . . . 1.69 110.865 174.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.419 ' HB3' ' CG2' ' A' 2087 ' ' THR . 23.5 t70 -57.77 -27.34 62.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.468 -0.787 . . . . 2.27 111.335 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.9 mt -74.57 -14.5 60.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.854 -0.612 . . . . 0.24 112.018 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.39 0.79 14.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.322 -0.942 . . . . 0.2 113.583 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.524 HG21 HG21 ' A' 2119 ' ' ILE . 6.3 mm -66.62 132.19 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.883 0.697 . . . . 0.32 112.883 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -107.39 178.09 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.114 -0.948 . . . . 1.86 108.924 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.6 p -57.75 -39.66 77.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.176 0.512 . . . . 1.32 111.261 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' 2101 ' ' GLU . 51.9 mt -65.21 -53.94 37.06 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.395 -0.82 . . . . 1.61 110.24 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.79 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -71.06 -26.35 63.03 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.587 -0.733 . . . . 0.19 112.736 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.69 -24.32 65.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.012 0.91 . . . . 0.24 109.23 170.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -39.87 12.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.438 -1.256 . . . . 1.15 109.391 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.6 mt-10 -63.69 -36.39 83.7 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.826 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' 2071 ' ' THR . 9.1 mt -57.08 -59.32 5.25 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 121.251 0.548 . . . . 1.13 110.337 172.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.86 -44.04 28.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.439 -1.255 . . . . 2.11 110.692 176.135 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -57.14 -53.38 58.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.909 -0.587 . . . . 0.4 111.493 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 95.1 m -66.88 -43.43 83.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.474 -0.33 . . . . 0.33 111.445 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 2102 ' ' LEU . 94.3 mt -64.81 -51.21 63.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.341 -0.39 . . . . 1.47 111.471 -177.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.65 -28.1 68.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.164 0.506 . . . . 0.67 110.183 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.87 -53.08 35.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.201 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -60.72 -49.5 77.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.4 112.006 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.597 ' HB ' HD21 ' A' 2136 ' ' LEU . 36.2 p -74.22 -21.72 59.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.37 0.605 . . . . 0.33 110.221 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.14 10.8 85.1 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.025 -0.989 . . . . 0.36 112.084 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.721 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -101.91 -160.17 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.362 0.601 . . . . 0.47 109.495 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.25 123.78 22.2 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.917 -1.038 . . . . 0.43 109.052 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 69.5 mt -129.95 154.98 81.27 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 114.825 -1.08 . . . . 1.25 111.007 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -80.76 148.46 17.72 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.151 2.567 . . . . 0.33 111.806 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.75 -2.47 11.47 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.03 1.82 . . . . 0.46 111.162 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.0 p -94.38 2.06 55.81 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.731 -0.668 . . . . 0.36 111.493 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2115 ' ' PRO . 16.9 mt -36.95 -67.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.812 0.671 . . . . 0.79 112.812 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.4 mm -56.7 -25.87 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 114.335 -1.302 . . . . 0.28 111.584 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -88.84 -32.64 17.7 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.241 -0.436 . . . . 0.38 111.751 -177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.64 -33.05 23.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.386 0.612 . . . . 1.34 110.631 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -133.87 78.23 60.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.55 -0.907 . . . . 0.43 108.55 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.716 ' O ' HG23 ' A' 2124 ' ' THR . 27.8 Cg_endo -91.56 102.68 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.826 0 C-N-CA 121.507 1.471 . . . . 0.25 112.56 -172.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.716 HG23 ' O ' ' A' 2123 ' ' PRO . 3.2 p 166.77 157.24 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 127.939 2.496 . . . . 0.13 105.055 160.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.8 Cg_exo -55.67 -39.34 91.64 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 CA-C-N 121.441 1.55 . . . . 0.14 109.986 171.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.529 ' O ' ' HG3' ' A' 2130 ' ' GLN . 50.6 t60 -63.34 -46.88 84.55 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.628 -0.714 . . . . 0.42 111.65 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.61 77.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.998 0.428 . . . . 0.13 111.038 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.573 HD11 HD13 ' A' 2119 ' ' ILE . 44.4 mt -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.14 111.294 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.493 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 88.7 m -63.09 -25.03 68.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.615 0.721 . . . . 0.24 109.377 176.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.5 mt-30 -80.72 -47.44 13.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 1.66 109.75 176.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.577 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.2 t60 -65.47 -54.14 32.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.35 111.585 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.8 mm? -60.52 -27.69 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.6 0.222 . . . . 1.13 111.6 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . 0.428 ' CG ' ' HG2' ' A' 2060 ' ' GLN . 17.4 t-80 -69.57 -42.03 75.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.196 -0.668 . . . . 0.31 109.196 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.6 m -64.76 -30.89 71.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.36 111.339 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.721 ' HB3' HD13 ' A' 2112 ' ' LEU . 26.2 mmm180 -74.69 -48.58 25.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.173 0.511 . . . . 1.64 110.975 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 2112 ' ' LEU . 96.9 mt -75.93 -10.77 59.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 113.562 0.949 . . . . 0.97 113.562 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.585 0.707 . . . . 0.68 111.073 178.383 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' 2060 ' ' GLN . 20.6 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 114.779 1.03 . . . . 0.86 114.779 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.48 -44.89 89.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.664 0.268 . . . . 1.95 110.98 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -57.55 -42.34 82.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.464 . . . . 1.6 109.853 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.7 mt-30 -56.64 -41.5 77.26 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.32 -0.854 . . . . 1.5 110.738 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.0 mt-30 -57.38 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.691 -0.686 . . . . 0.95 110.69 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 51.0 mt-30 -53.72 -34.04 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.007 -0.542 . . . . 1.32 111.588 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' 2059 ' ' GLN . 54.3 m -49.53 -53.96 20.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.466 -0.788 . . . . 0.77 111.229 171.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' 2136 ' ' LEU . 14.6 mt -82.29 -23.29 35.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.441 0.639 . . . . 1.32 109.873 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.43 -30.36 71.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.6 -1.182 . . . . 0.51 108.55 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 94.0 m -87.04 -39.09 15.95 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 113.541 -1.663 . . . . 0.41 110.619 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' 2106 ' ' LEU . 0.0 OUTLIER -60.64 -56.04 26.06 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.488 0.661 . . . . 1.35 109.644 -179.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.412 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.9 t -57.27 -40.47 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 114.762 -1.108 . . . . 0.22 110.791 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.84 -48.82 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.92 -1.036 . . . . 0.17 111.108 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.484 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.27 -29.6 69.95 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.142 0.496 . . . . 0.23 110.913 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.68 79.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.517 -0.765 . . . . 0.24 110.314 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.815 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.3 t -87.4 -26.1 23.47 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.072 -0.651 . . . . 0.28 110.079 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -49.57 -45.5 47.79 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.91 -0.774 . . . . 0.31 108.91 166.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 56.3 m -70.62 -50.14 40.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.46 110.892 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.1 -37.25 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 113.554 0.946 . . . . 0.56 113.554 -175.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.815 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.1 mt -86.07 -9.22 57.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.191 0.52 . . . . 0.74 110.544 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 80.65 47.19 6.88 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.662 -0.699 . . . . 0.93 113.158 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.4 p80 -138.44 -4.75 1.63 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.306 0.553 . . . . 0.97 112.025 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.504 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.2 m-70 68.82 -42.29 0.48 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.256 1.576 . . . . 1.56 115.256 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.509 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 8.5 p -76.05 123.9 88.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 113.68 0.992 . . . . 1.82 113.68 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.7 Cg_exo -84.73 -16.98 5.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 124.042 3.161 . . . . 0.51 111.247 174.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.93 -18.16 54.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.763 . . . . 1.54 109.981 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.7 t -93.08 21.59 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.012 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.535 HD12 HG23 ' A' 2071 ' ' THR . 12.1 mm -106.8 122.51 60.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.659 -0.701 . . . . 0.25 110.481 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.2 m -92.48 110.41 44.76 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.225 -0.443 . . . . 0.28 110.076 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.514 ' O ' ' HB ' ' A' 2124 ' ' THR . 21.9 Cg_endo -65.75 -27.35 52.23 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 122.536 2.158 . . . . 0.15 112.605 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.79 -30.04 58.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.722 -0.672 . . . . 0.14 111.499 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 30.6 m -74.65 147.07 41.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.17 -0.678 . . . . 0.16 109.17 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.545 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.85 143.76 31.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.169 -0.923 . . . . 0.15 109.534 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.544 ' HB3' HG13 ' A' 2094 ' ' ILE . 29.4 m-85 -48.09 -39.77 21.29 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 123.748 0.655 . . . . 0.12 111.927 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.3 -65.65 0.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.278 0.561 . . . . 1.69 111.067 173.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -64.57 -12.41 44.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 2.27 111.945 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.434 HD21 ' HB ' ' A' 2087 ' ' THR . 97.4 mt -87.15 -13.97 42.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.24 111.792 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.8 1.45 11.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.276 -0.964 . . . . 0.2 113.365 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2119 ' ' ILE . 5.9 mm -68.85 128.88 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.309 0.576 . . . . 0.32 112.435 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.11 179.58 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.566 -0.902 . . . . 1.86 108.566 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.3 m -62.96 -34.11 76.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.259 0.552 . . . . 1.32 110.408 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' 2100 ' ' LEU . 11.7 tp -62.99 -55.25 27.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.574 -0.739 . . . . 1.61 111.115 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.529 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -72.76 -24.92 61.01 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 112.784 0.661 . . . . 0.19 112.784 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.96 -20.29 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.958 0.885 . . . . 0.24 109.603 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.729 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -86.66 -52.0 5.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.333 -1.303 . . . . 1.15 108.188 176.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.515 ' N ' HD13 ' A' 2100 ' ' LEU . 24.2 mt-10 -58.86 -40.19 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.791 -1.095 . . . . 0.46 112.408 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.7 tp -65.03 -54.26 33.11 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-O 120.885 0.374 . . . . 1.13 110.246 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.88 -44.42 29.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.214 -0.903 . . . . 2.11 110.226 172.262 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -59.13 -48.21 82.46 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.504 -0.771 . . . . 0.4 110.913 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.8 m -63.29 -45.94 89.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.639 -0.255 . . . . 0.33 111.298 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.406 ' CD1' HD13 ' A' 2066 ' ' LEU . 2.4 mm? -59.0 -43.49 91.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.467 0.175 . . . . 1.47 110.827 176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 79.3 m -63.52 -37.48 87.45 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 121.202 0.525 . . . . 0.67 111.097 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -70.5 -27.53 64.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.418 0.628 . . . . 1.29 111.116 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -86.27 -50.58 6.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.292 -0.867 . . . . 0.4 111.831 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.411 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 40.3 p -77.19 -30.73 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 0.33 110.381 -172.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.72 7.84 83.65 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.258 -0.883 . . . . 0.36 111.801 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.748 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -93.13 -159.6 0.69 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.244 0.545 . . . . 0.47 109.738 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.41 117.51 13.44 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.134 -0.939 . . . . 0.43 109.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.79 158.38 62.75 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.28 -1.327 . . . . 1.25 110.702 -173.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2103 ' ' ARG . 83.6 Cg_endo -79.92 148.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.992 2.461 . . . . 0.33 111.97 174.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.12 -5.29 13.3 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.382 2.055 . . . . 0.46 111.622 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.2 p -93.07 1.45 57.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.956 -0.565 . . . . 0.36 111.667 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 2115 ' ' PRO . 15.0 mt -38.93 -65.1 0.39 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.725 0.774 . . . . 0.79 112.214 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -61.12 -18.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.893 -1.503 . . . . 0.28 111.819 -173.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -90.41 -34.96 15.44 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.381 -0.372 . . . . 0.38 111.463 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.45 -37.15 20.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.324 0.583 . . . . 1.34 110.927 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -128.0 71.35 78.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.69 -0.856 . . . . 0.43 108.69 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.776 ' O ' HG23 ' A' 2124 ' ' THR . 9.9 Cg_endo -91.74 102.27 0.22 Allowed 'Trans proline' 0 N--CA 1.436 -1.876 0 C-N-CA 122.057 1.838 . . . . 0.25 111.985 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.776 HG23 ' O ' ' A' 2123 ' ' PRO . 6.7 p 169.63 151.51 0.14 Allowed Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 128.187 2.595 . . . . 0.13 104.38 163.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.439 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 47.0 Cg_exo -55.19 -35.98 92.2 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 CA-C-N 121.425 1.545 . . . . 0.14 110.548 173.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' A' 2130 ' ' GLN . 68.1 t60 -66.32 -45.65 79.59 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.641 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.26 73.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.031 0.443 . . . . 0.13 111.096 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' 2119 ' ' ILE . 44.5 mt -75.22 -30.68 60.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.224 -0.444 . . . . 0.14 111.29 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.9 m -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.066 -0.716 . . . . 0.24 109.066 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.2 mt-30 -80.21 -52.94 7.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.312 -0.858 . . . . 1.66 110.172 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.548 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.7 t60 -64.21 -53.27 51.89 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.264 -0.426 . . . . 0.35 112.112 -174.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.0 mm? -61.9 -26.14 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.144 -0.222 . . . . 1.13 111.295 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.79 -42.45 73.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.203 -0.666 . . . . 0.31 109.203 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 44.7 m -62.14 -39.48 92.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.36 110.773 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.57 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -65.85 -46.32 78.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.467 -0.333 . . . . 1.64 111.408 -176.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.748 HD23 HD21 ' A' 2112 ' ' LEU . 91.7 mt -74.22 -5.2 40.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.486 0.55 . . . . 0.97 112.486 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.322 -0.612 0 CA-C-O 121.034 0.445 . . . . 0.68 111.169 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.696 ' O ' ' HG3' ' A' 2060 ' ' GLN . 42.7 Cg_exo . . . . . 0 N--CA 1.464 -0.239 0 N-CA-C 113.582 0.57 . . . . 0.86 113.582 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 35.5 tt0 -62.11 -37.9 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.561 0.219 . . . . 1.95 111.26 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 12.8 mm-40 -61.98 -45.91 91.57 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.383 0.611 . . . . 1.6 109.473 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' 2062 ' ' THR . 93.2 mt-30 -60.29 -37.97 82.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.864 -1.062 . . . . 1.5 110.786 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.1 mt-30 -63.21 -57.96 8.77 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.421 -0.354 . . . . 0.95 110.216 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 45.8 mt-30 -53.92 -36.97 63.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 1.32 111.375 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' 2059 ' ' GLN . 98.3 m -49.54 -52.32 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.77 110.908 172.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 11.6 mt -79.91 -24.69 40.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.481 -0.782 . . . . 1.32 109.576 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.92 -41.83 82.02 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.466 -1.243 . . . . 0.51 109.387 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 53.7 m -79.04 -35.12 43.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.507 -1.224 . . . . 0.41 110.688 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.635 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 16.5 tp -58.78 -62.13 2.1 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.4 0.619 . . . . 1.35 110.808 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.482 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 51.9 t -51.6 -43.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.393 -1.276 . . . . 0.22 110.993 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.57 71.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.126 -0.943 . . . . 0.17 111.396 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.427 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.4 -32.7 71.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.094 0.473 . . . . 0.23 110.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.1 88.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.24 110.452 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.761 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.4 t -87.52 -20.42 26.53 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.135 -0.626 . . . . 0.28 110.194 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.503 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -55.05 -43.26 73.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.371 -0.603 . . . . 0.31 109.371 169.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.4 m -71.33 -49.26 44.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.09 -0.959 . . . . 0.46 110.425 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.801 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.0 -37.79 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.56 113.195 -174.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.0 mt -84.42 -41.6 16.5 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.808 -0.557 . . . . 0.74 111.127 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 122.13 61.14 0.21 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.357 -0.925 . . . . 0.93 113.428 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.513 ' NE2' ' HB2' ' A' 2075 ' ' LEU . 0.2 OUTLIER -152.75 -26.5 0.16 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.808 0.304 . . . . 0.97 111.79 175.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.406 ' C ' ' HB1' ' A' 2072 ' ' ALA . 48.1 m-70 68.89 -6.48 0.87 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.831 0.678 . . . . 1.56 112.831 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.508 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.3 p -91.8 120.81 67.87 Favored Pre-proline 0 N--CA 1.452 -0.37 0 N-CA-C 112.834 0.679 . . . . 1.82 112.834 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.2 Cg_exo -84.83 -16.59 5.3 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 124.338 3.359 . . . . 0.51 110.887 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.54 -17.94 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.54 110.248 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 13.0 t -98.1 22.13 9.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.63 110.458 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.519 HD12 HG23 ' A' 2071 ' ' THR . 13.1 mm -107.22 115.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.501 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.6 m -84.85 110.81 30.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.485 -0.325 . . . . 0.28 110.402 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 24.8 Cg_endo -66.26 -27.08 48.54 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.704 2.269 . . . . 0.15 112.825 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.44 59.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.72 -0.673 . . . . 0.14 111.742 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.592 ' HB ' HD21 ' A' 2092 ' ' LEU . 36.0 m -78.65 148.08 33.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.378 -0.601 . . . . 0.16 109.378 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.524 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.01 141.08 36.26 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.144 -0.935 . . . . 0.15 109.603 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.552 ' HB3' HG13 ' A' 2094 ' ' ILE . 36.4 m-85 -45.53 -39.36 7.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.909 -1.041 . . . . 0.12 112.544 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.14 -64.79 0.7 Allowed 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.558 0.536 . . . . 1.69 110.603 175.276 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.6 -7.19 18.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.988 -1.006 . . . . 2.27 111.897 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.592 HD21 ' HB ' ' A' 2087 ' ' THR . 96.0 mt -89.86 -15.39 32.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.24 111.431 175.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.66 0.61 11.01 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.297 -0.954 . . . . 0.2 113.426 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -67.54 130.7 33.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.545 0.572 . . . . 0.32 112.545 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -103.52 178.65 4.5 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.706 -0.85 . . . . 1.86 108.706 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 31.0 m -65.93 -30.34 70.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.232 0.469 . . . . 1.32 111.18 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' 2101 ' ' GLU . 56.6 mt -70.64 -53.36 16.13 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.323 0.583 . . . . 1.61 110.098 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.801 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.53 -25.9 63.32 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.6 -0.727 . . . . 0.19 112.809 -178.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.23 -24.31 63.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.962 0.887 . . . . 0.24 109.543 169.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.65 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.05 -38.37 13.63 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.697 -1.138 . . . . 1.15 109.162 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' 2104 ' ' ASN . 26.0 mt-10 -65.9 -34.86 79.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.264 -0.425 . . . . 0.46 111.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' 2071 ' ' THR . 8.8 mt -56.41 -65.33 0.63 Allowed 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 116.315 -0.402 . . . . 1.13 111.284 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.5 OUTLIER -52.58 -33.27 45.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.871 . . . . 2.11 110.974 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.1 m-20 -55.73 -51.56 66.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.4 110.447 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -69.71 -42.4 74.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.33 110.88 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.3 mp -62.11 -55.02 33.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 1.47 111.75 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.6 t -65.73 -27.54 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.235 0.541 . . . . 0.67 110.132 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.13 -46.88 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 1.29 110.588 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.45 -39.58 74.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.018 -0.992 . . . . 0.4 112.417 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.514 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 40.5 p -80.46 -25.51 38.85 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.415 0.626 . . . . 0.33 109.848 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.31 1.31 90.38 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.016 -0.993 . . . . 0.36 111.186 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.855 HD21 HD23 ' A' 2136 ' ' LEU . 10.5 mt -80.82 -170.2 2.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.595 -0.802 . . . . 0.47 110.478 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.53 123.01 27.1 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.607 -1.179 . . . . 0.43 108.753 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.51 HD13 HD11 ' A' 2118 ' ' LEU . 56.8 mt -138.17 148.89 61.65 Favored Pre-proline 0 C--N 1.312 -1.053 0 CA-C-N 115.14 -0.936 . . . . 1.25 111.856 -168.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.2 Cg_endo -79.61 159.3 25.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.387 2.724 . . . . 0.33 111.897 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.8 Cg_endo -76.97 1.57 8.51 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.272 1.981 . . . . 0.46 111.236 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 15.5 p -98.69 2.15 46.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.703 -0.681 . . . . 0.36 111.572 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.51 HD11 HD13 ' A' 2114 ' ' LEU . 18.5 mt -41.15 -62.43 0.84 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.352 0.596 . . . . 0.79 112.333 174.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.544 HD13 HD11 ' A' 2128 ' ' LEU . 10.0 mm -55.28 -25.72 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.212 -1.358 . . . . 0.28 111.473 -175.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.96 -31.34 17.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.09 -0.504 . . . . 0.38 111.663 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 -34.68 21.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.077 0.465 . . . . 1.34 111.013 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.99 77.9 61.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.736 ' O ' HG23 ' A' 2124 ' ' THR . 29.7 Cg_endo -91.75 103.71 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.77 0 C-N-CA 121.801 1.668 . . . . 0.25 112.902 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.736 HG23 ' O ' ' A' 2123 ' ' PRO . 4.0 p 167.79 157.27 0.14 Allowed Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 127.783 2.433 . . . . 0.13 105.296 159.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.442 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.4 Cg_exo -55.36 -36.76 94.5 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 CA-C-N 121.45 1.554 . . . . 0.14 110.379 171.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.6 t60 -69.5 -45.44 68.91 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.42 111.788 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.4 69.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.01 0.434 . . . . 0.13 110.921 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.544 HD11 HD13 ' A' 2119 ' ' ILE . 39.0 mt -74.11 -33.67 63.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.368 -0.378 . . . . 0.14 111.453 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 60.7 m -56.81 -29.44 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.11 -0.7 . . . . 0.24 109.11 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.5 mt-30 -80.16 -48.78 12.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.253 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.1 t60 -61.54 -53.31 57.97 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.346 -0.388 . . . . 0.35 111.535 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.434 HD12 HG21 ' A' 2110 ' ' THR . 2.6 mm? -57.14 -39.05 74.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.517 0.199 . . . . 1.13 111.073 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.68 -35.9 82.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.627 -0.509 . . . . 0.31 109.627 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 27.8 m -70.15 -40.34 74.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.542 -0.754 . . . . 0.36 110.688 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.476 ' CB ' HD13 ' A' 2112 ' ' LEU . 15.4 mmm180 -63.45 -33.86 76.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.211 0.529 . . . . 1.64 110.609 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.855 HD23 HD21 ' A' 2112 ' ' LEU . 67.0 mt -81.01 -25.65 37.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.523 -0.762 . . . . 0.97 112.026 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.68 111.86 -175.359 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2060 ' ' GLN . 14.2 Cg_exo . . . . . 0 CA--C 1.534 0.509 0 N-CA-C 115.231 1.204 . . . . 0.86 115.231 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 30.4 tt0 -67.17 -38.83 86.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.051 0.453 . . . . 1.95 110.707 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -63.38 -40.55 97.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.207 -0.664 . . . . 1.6 109.207 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.619 ' O ' ' HB ' ' A' 2062 ' ' THR . 94.2 mt-30 -57.03 -42.01 79.63 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.253 -0.885 . . . . 1.5 110.699 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.597 ' O ' ' HG ' ' A' 2063 ' ' LEU . 41.9 mt-30 -58.95 -58.26 9.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 116.207 -0.451 . . . . 0.95 109.953 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.579 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.9 mt-30 -56.57 -34.07 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 1.32 111.369 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2059 ' ' GLN . 53.4 m -53.67 -55.61 24.48 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.478 -0.783 . . . . 0.77 111.547 171.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -81.12 -18.9 44.85 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.925 0.869 . . . . 1.32 109.463 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.48 -47.5 75.87 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.105 -1.407 . . . . 0.51 108.289 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.3 m -58.73 -39.82 82.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 113.835 -1.529 . . . . 0.41 110.224 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -60.05 4.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.828 -0.804 . . . . 1.35 108.828 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' 2063 ' ' LEU . 63.6 t -52.63 -45.09 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -0.999 . . . . 0.22 111.342 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.73 69.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.436 -0.802 . . . . 0.17 111.494 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.44 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -64.71 -27.0 68.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.23 110.569 179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.0 71.14 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.423 -0.808 . . . . 0.24 110.19 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.845 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.7 t -84.2 -25.76 29.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.718 -0.793 . . . . 0.28 109.721 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.461 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -48.27 -48.0 35.91 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.021 -0.733 . . . . 0.31 109.021 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 93.0 m -72.41 -46.61 54.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.367 -0.833 . . . . 0.46 111.48 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.81 -40.57 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 112.998 0.74 . . . . 0.56 112.998 -177.39 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.845 ' HG ' ' O ' ' A' 2071 ' ' THR . 12.0 mt -76.68 -36.18 57.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.253 0.549 . . . . 0.74 109.947 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 112.05 32.28 2.45 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.634 -0.793 . . . . 0.93 113.069 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' 2072 ' ' ALA . 29.7 p80 -122.04 -2.72 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.107 0.48 . . . . 0.97 111.505 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . 0.407 ' C ' ' HB1' ' A' 2072 ' ' ALA . 64.8 m-70 70.41 -57.18 0.58 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.706 1.372 . . . . 1.56 114.706 168.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 2.7 t -87.82 145.04 35.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 119.363 -0.935 . . . . 1.82 111.817 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.44 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 2.0 Cg_endo -83.38 -0.93 10.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.217 3.945 . . . . 0.51 111.839 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.19 -0.8 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 1.54 111.081 -176.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.5 t -118.87 15.23 13.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.429 -0.805 . . . . 0.63 110.078 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.609 HD12 HG23 ' A' 2071 ' ' THR . 24.8 mm -98.73 112.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.25 110.8 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -88.79 111.71 46.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.024 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.9 Cg_endo -64.27 -28.01 63.91 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.756 2.304 . . . . 0.15 112.67 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.63 -30.38 59.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.612 -0.722 . . . . 0.14 111.391 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 39.6 m -76.5 147.87 37.53 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.402 0.62 . . . . 0.16 109.44 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.532 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.81 142.09 34.05 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.166 -0.924 . . . . 0.15 109.502 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.542 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.0 m-85 -47.83 -36.64 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.272 -0.876 . . . . 0.12 111.909 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.93 -65.95 0.48 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.978 -0.555 . . . . 1.69 110.846 174.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.03 -29.59 65.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 2.27 111.273 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.6 mt -71.73 -15.99 62.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.24 111.969 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.98 1.46 10.52 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.251 -0.976 . . . . 0.2 113.741 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.542 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -66.34 130.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.419 0.628 . . . . 0.32 112.544 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 28.5 t70 -108.17 169.67 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.847 -1.07 . . . . 1.86 108.422 173.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 51.0 m -56.62 -32.76 65.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.904 0.774 . . . . 1.32 111.392 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' 2101 ' ' GLU . 47.0 mt -69.08 -54.66 13.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.117 0.484 . . . . 1.61 109.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.574 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.33 -25.62 64.29 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.879 0.696 . . . . 0.19 112.879 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.507 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.95 -23.33 65.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.807 0.813 . . . . 0.24 109.363 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.89 -39.05 13.28 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.865 -1.061 . . . . 1.15 108.886 178.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.0 mt-10 -69.08 -34.87 75.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.46 111.367 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.4 tp -64.33 -56.29 15.44 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 116.206 -0.452 . . . . 1.13 111.032 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' 2100 ' ' LEU . 1.4 ppt_? -56.59 -28.02 59.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.67 -0.695 . . . . 2.11 110.332 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' 2101 ' ' GLU . 51.1 m-20 -64.35 -48.68 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.792 0.329 . . . . 0.4 110.336 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.8 m -61.62 -41.78 97.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.33 110.58 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 2102 ' ' LEU . 7.4 mp -60.55 -50.97 71.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.784 -0.644 . . . . 1.47 110.852 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.417 HG23 ' O ' ' A' 2112 ' ' LEU . 84.7 m -57.07 -41.39 78.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.255 0.55 . . . . 0.67 110.87 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.2 t60 -59.77 -49.84 76.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.398 -0.819 . . . . 1.29 110.918 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -71.89 -44.78 63.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.455 -0.793 . . . . 0.4 113.037 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.436 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 65.5 p -80.73 -26.73 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.163 0.506 . . . . 0.33 110.681 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.89 2.5 90.66 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.822 -0.704 . . . . 0.36 112.233 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.85 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -90.25 -159.46 0.61 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.733 0.778 . . . . 0.47 110.45 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -131.15 123.83 29.38 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.029 -1.441 . . . . 0.43 109.084 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 54.0 mt -135.42 147.83 63.54 Favored Pre-proline 0 C--N 1.311 -1.081 0 CA-C-N 115.032 -0.986 . . . . 1.25 110.7 -171.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.419 ' HD2' HD13 ' A' 2118 ' ' LEU . 85.2 Cg_endo -80.87 157.74 20.98 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.501 2.801 . . . . 0.33 112.312 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.501 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -77.74 0.54 9.72 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.352 2.035 . . . . 0.46 111.382 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 11.0 p -101.52 1.84 38.46 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.457 -0.792 . . . . 0.36 110.944 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' 2115 ' ' PRO . 14.5 tp -44.66 -57.39 3.7 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.669 0.788 . . . . 0.79 112.645 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' 2099 ' ' ALA . 20.6 mm -59.27 -23.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.248 -0.887 . . . . 0.28 111.478 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -90.2 -30.01 17.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.02 0.438 . . . . 0.38 111.35 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -77.89 -34.73 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.794 -0.639 . . . . 1.34 110.496 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.449 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 78.5 m-70 -138.21 80.35 28.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.382 -0.826 . . . . 0.43 109.216 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' 2124 ' ' THR . 18.8 Cg_endo -91.63 102.03 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.047 0 C-N-CA 121.844 1.696 . . . . 0.25 111.967 -174.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.722 HG23 ' O ' ' A' 2123 ' ' PRO . 2.6 p 167.24 152.79 0.1 Allowed Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 127.974 2.51 . . . . 0.13 104.713 161.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.459 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -55.6 -36.89 95.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 CA-C-N 121.391 1.532 . . . . 0.14 110.453 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 74.2 t60 -68.3 -43.78 76.91 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.42 111.84 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -56.3 -41.4 75.89 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.094 0.474 . . . . 0.13 110.741 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.452 HD11 HD13 ' A' 2119 ' ' ILE . 38.2 mt -73.14 -29.54 62.95 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.125 -0.489 . . . . 0.14 111.486 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 60.5 m -61.99 -27.54 68.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.538 0.685 . . . . 0.24 109.254 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.2 mt-30 -80.82 -47.83 13.3 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.354 -0.839 . . . . 1.66 110.198 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' 2135 ' ' ARG . 84.9 t60 -67.51 -50.85 56.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.339 -0.391 . . . . 0.35 111.804 -176.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.45 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.8 mm? -62.75 -29.81 70.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.647 0.24 . . . . 1.13 111.647 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -67.67 -37.91 83.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.864 -0.791 . . . . 0.31 108.864 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 61.3 m -68.27 -36.09 78.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.267 -0.878 . . . . 0.36 111.125 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.642 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.1 mmm180 -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 1.64 111.118 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.85 HD23 HD21 ' A' 2112 ' ' LEU . 97.4 mt -73.26 -14.76 61.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.481 0.919 . . . . 0.97 113.481 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.68 111.373 -177.694 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 2056 ' ' PRO . . . . . 0.678 ' O ' ' HG3' ' A' 2060 ' ' GLN . 68.5 Cg_exo . . . . . 0 N--CA 1.462 -0.34 0 N-CA-C 113.568 0.565 . . . . 0.86 113.568 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.93 -37.68 88.29 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.129 0.268 . . . . 1.95 111.462 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -57.9 -51.34 70.01 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.474 0.654 . . . . 1.6 109.617 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' 2062 ' ' THR . 5.4 mm-40 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.534 -1.212 . . . . 1.5 111.246 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . 0.678 ' HG3' ' O ' ' A' 2056 ' ' PRO . 17.9 mt-30 -56.36 -60.03 4.1 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.355 177.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.624 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 79.9 mt-30 -54.41 -35.04 62.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.795 0.331 . . . . 1.32 111.827 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' 2059 ' ' GLN . 95.8 m -53.9 -55.29 28.23 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.839 -0.618 . . . . 0.77 111.025 171.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.64 -20.06 43.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.699 0.762 . . . . 1.32 109.73 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.42 -46.9 68.65 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.279 -1.328 . . . . 0.51 108.613 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.2 m -66.85 -36.74 83.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.982 -1.463 . . . . 0.41 110.305 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -57.64 11.97 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.099 -0.704 . . . . 1.35 109.099 177.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 2063 ' ' LEU . 55.2 t -54.03 -47.82 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.15 -0.932 . . . . 0.22 110.972 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.03 -51.79 68.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.164 -0.926 . . . . 0.17 111.855 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.513 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -33.58 74.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.23 111.115 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.36 81.06 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.82 -0.627 . . . . 0.24 109.984 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.748 ' O ' ' HG ' ' A' 2075 ' ' LEU . 10.0 t -85.28 -23.44 28.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 120.068 -0.653 . . . . 0.28 110.573 -174.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.654 ' O ' ' HB3' ' A' 2077 ' ' HIS . . . -56.58 -39.95 74.4 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.677 -0.49 . . . . 0.31 109.677 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.2 m -70.08 -41.86 73.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.545 0.688 . . . . 0.46 110.234 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -66.39 -38.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.261 -0.881 . . . . 0.56 113.201 -175.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2071 ' ' THR . 24.4 mt -80.01 -11.44 59.78 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.916 0.339 . . . . 0.74 111.916 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.88 74.35 0.8 Allowed Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.283 -1.927 . . . . 0.93 108.283 -168.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2077 ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' 2072 ' ' ALA . 55.3 t-80 -159.28 -47.39 0.05 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.162 0.506 . . . . 0.97 111.129 -153.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 60.0 m-70 70.28 -49.59 0.65 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.018 1.118 . . . . 1.56 114.018 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 15.3 p -75.22 125.06 89.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 C-N-CA 120.165 -0.614 . . . . 1.82 112.568 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.513 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -83.26 -22.99 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.73 2.953 . . . . 0.51 110.726 173.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.07 -20.64 60.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.928 -1.033 . . . . 1.54 110.729 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.7 t -102.65 21.98 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.785 0.803 . . . . 0.63 109.883 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.583 HD12 HG23 ' A' 2071 ' ' THR . 12.5 mm -95.35 106.43 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.235 -0.893 . . . . 0.25 109.763 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 68.2 m -75.28 113.03 21.55 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 120.692 0.282 . . . . 0.28 110.588 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.544 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.86 -26.11 38.46 Favored 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.584 2.189 . . . . 0.15 112.631 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.16 59.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.599 -0.728 . . . . 0.14 111.472 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.48 ' O ' HG22 ' A' 2124 ' ' THR . 28.6 m -76.87 147.52 37.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.061 -0.718 . . . . 0.16 109.061 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.14 143.35 28.88 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.444 -0.798 . . . . 0.15 110.102 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.516 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.4 m-85 -43.01 -41.15 3.32 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 124.065 0.853 . . . . 0.12 111.786 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.49 -64.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 1.69 111.433 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.589 -0.732 . . . . 2.27 112.153 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.31 -16.69 39.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.399 . . . . 0.24 111.853 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.63 9.71 7.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.206 -0.997 . . . . 0.2 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2119 ' ' ILE . 0.3 OUTLIER -69.29 126.54 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.448 0.642 . . . . 0.32 112.059 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -95.9 165.92 12.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.973 -1.121 . . . . 1.86 107.973 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.1 t -63.69 -30.5 71.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.897 0.772 . . . . 1.32 110.549 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' 2101 ' ' GLU . 53.3 mt -68.61 -51.12 45.79 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.567 0.699 . . . . 1.61 109.757 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.713 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -70.31 -25.87 63.51 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 0.19 112.411 178.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.66 -23.1 64.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.886 0.85 . . . . 0.24 109.311 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.13 -37.99 13.83 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.781 -1.099 . . . . 1.15 108.976 178.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' 2104 ' ' ASN . 28.3 mt-10 -67.03 -35.48 79.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.46 111.089 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' 2106 ' ' LEU . 5.1 tp -58.94 -59.47 5.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.14 0.495 . . . . 1.13 111.201 176.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -53.93 -34.68 60.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.101 -0.954 . . . . 2.11 110.345 177.198 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -56.03 -50.88 69.68 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.34 -0.391 . . . . 0.4 110.759 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.0 m -69.85 -41.84 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.396 -0.366 . . . . 0.33 111.198 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 2102 ' ' LEU . 78.1 mt -64.97 -49.06 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 1.47 111.278 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.78 -27.79 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.163 0.506 . . . . 0.67 110.241 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.4 t60 -71.17 -48.29 52.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 1.29 110.343 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.38 -43.56 77.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.069 -0.969 . . . . 0.4 112.332 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.567 ' HB ' HD21 ' A' 2136 ' ' LEU . 62.5 p -76.27 -23.69 54.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.516 0.674 . . . . 0.33 109.243 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.4 5.54 89.47 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.91 -1.041 . . . . 0.36 112.315 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.915 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -95.83 -159.63 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.468 0.651 . . . . 0.47 110.018 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -133.51 123.41 25.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.782 -1.099 . . . . 0.43 109.526 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.524 HD13 HD11 ' A' 2118 ' ' LEU . 66.0 mt -132.22 151.02 77.61 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 114.968 -1.015 . . . . 1.25 111.368 -169.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -78.85 156.0 27.0 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.957 2.438 . . . . 0.33 111.68 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.6 Cg_endo -76.68 2.95 6.89 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.167 1.911 . . . . 0.46 111.582 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 14.4 p -99.49 -2.15 36.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.6 -0.727 . . . . 0.36 112.023 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.524 HD11 HD13 ' A' 2114 ' ' LEU . 20.3 mt -38.38 -62.81 0.55 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.61 0.719 . . . . 0.79 112.482 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2094 ' ' ILE . 6.8 mm -57.32 -25.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.769 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -86.13 -36.86 19.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.113 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.59 -32.3 41.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.862 -0.608 . . . . 1.34 111.404 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.402 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 71.8 m-70 -137.3 77.2 42.1 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.845 -0.798 . . . . 0.43 108.845 -177.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.714 ' O ' HG23 ' A' 2124 ' ' THR . 17.8 Cg_endo -92.08 102.29 0.2 Allowed 'Trans proline' 0 N--CA 1.435 -1.964 0 C-N-CA 121.778 1.652 . . . . 0.25 112.193 -173.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.714 HG23 ' O ' ' A' 2123 ' ' PRO . 1.7 p 168.11 152.66 0.12 Allowed Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 127.74 2.416 . . . . 0.13 105.344 163.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 53.2 Cg_exo -55.07 -36.3 92.5 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 CA-C-N 121.183 1.458 . . . . 0.14 110.185 171.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.0 t60 -68.62 -44.98 73.11 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.42 112.056 178.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.58 -39.75 71.1 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.344 0.52 . . . . 0.13 110.597 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.426 ' HB3' HD23 ' A' 2132 ' ' LEU . 38.4 mt -74.79 -28.93 60.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.14 111.561 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.507 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 30.0 m -60.05 -30.58 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.919 0.866 . . . . 0.24 109.004 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 3.5 mt-30 -80.51 -49.01 11.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.842 -1.072 . . . . 1.66 110.16 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 83.2 t60 -64.54 -51.54 62.33 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.263 -0.426 . . . . 0.35 111.545 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.0 mm? -63.43 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.032 -0.267 . . . . 1.13 111.522 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -68.97 -36.8 78.3 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.209 -0.663 . . . . 0.31 109.209 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.6 m -66.37 -50.08 64.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.581 -0.736 . . . . 0.36 110.048 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.599 ' HB3' HD13 ' A' 2112 ' ' LEU . 21.2 mmm180 -54.77 -49.52 70.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 1.64 112.138 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2136 ' ' LEU . . . . . 0.915 HD23 HD21 ' A' 2112 ' ' LEU . 94.9 mt -62.52 -36.04 81.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.32 0.489 . . . . 0.97 112.32 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.441 -0.897 0 CA-C-N 116.322 -0.399 . . . . 0.68 111.735 -172.368 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.791 -0.523 . . . . 6.15 111.791 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 17.7 m -102.16 33.4 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.286 0.565 . . . . 6.22 110.683 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.439 ' HD2' HD23 ' A' 2112 ' ' LEU . 36.0 m80 -142.84 158.16 43.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.378 0.609 . . . . 3.33 111.005 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.613 ' C ' ' H ' ' A' 2051 ' ' LEU . 20.2 ttt -81.78 37.95 0.49 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.568 -1.197 . . . . 2.18 110.999 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' 2052 ' ' ASN . 40.1 mmt180 -39.44 10.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 126.848 2.059 . . . . 9.04 116.327 174.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' 2051 ' ' LEU . 29.0 tp -37.9 14.09 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 127.94 2.496 . . . . 2.25 116.661 174.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.683 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 71.0 m-20 -65.46 157.08 30.44 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.683 -1.261 . . . . 4.07 110.402 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.87 -31.0 7.6 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.921 -0.872 . . . . 1.88 110.921 -173.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.93 148.32 25.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.211 -0.663 . . . . 1.6 109.211 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 33.0 m -59.92 150.2 70.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.335 -0.393 . . . . 1.18 110.066 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 47.1 Cg_exo -40.99 -55.45 2.07 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.627 2.885 . . . . 0.86 113.881 -176.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.11 -39.94 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.062 0.226 . . . . 1.95 111.347 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -55.2 -45.65 75.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.235 0.54 . . . . 1.6 109.821 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.683 ' NE2' ' HA ' ' A' 2052 ' ' ASN . 95.2 mt-30 -63.73 -45.85 88.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.316 -0.857 . . . . 1.5 110.947 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.4 mt-30 -56.92 -60.61 3.32 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 116.392 -0.367 . . . . 0.95 110.629 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.8 mt-30 -52.95 -35.43 58.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.975 0.416 . . . . 1.32 111.794 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' 2059 ' ' GLN . 99.3 m -56.25 -54.13 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.777 -0.647 . . . . 0.77 111.353 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -81.44 -18.01 46.81 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.836 0.827 . . . . 1.32 109.74 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.68 -49.08 64.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.071 -1.422 . . . . 0.51 108.417 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 95.3 m -61.01 -37.63 83.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.98 -1.464 . . . . 0.41 110.296 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' 2109 ' ' ASN . 0.0 OUTLIER -58.52 -58.25 9.37 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.831 -0.803 . . . . 1.35 108.831 176.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2063 ' ' LEU . 52.6 t -53.13 -44.68 52.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.294 -0.866 . . . . 0.22 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.22 -53.36 50.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.17 111.595 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.69 -28.94 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 0.23 110.774 177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.81 82.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.641 -0.708 . . . . 0.24 110.402 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.83 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.62 -26.97 24.12 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 119.934 -0.706 . . . . 0.28 109.991 -176.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.559 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -49.54 -47.95 48.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.873 -0.788 . . . . 0.31 108.873 167.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.46 111.402 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -58.5 -40.56 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -177.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.83 ' HG ' ' O ' ' A' 2071 ' ' THR . 10.3 mt -80.07 -37.29 34.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.094 0.473 . . . . 0.74 109.773 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.39 12.01 16.29 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.799 -0.715 . . . . 0.93 113.159 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 13.4 p80 -100.17 -7.31 24.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.228 0.514 . . . . 0.97 111.321 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.559 ' C ' ' HB1' ' A' 2072 ' ' ALA . 95.1 m-70 70.86 -31.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.126 1.528 . . . . 1.56 115.126 166.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.8 p -81.38 126.08 77.32 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 118.966 0.803 . . . . 1.82 113.016 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.9 Cg_exo -85.22 -13.24 6.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.631 2.887 . . . . 0.51 111.205 173.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.19 -18.73 38.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 1.54 110.538 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 18.6 t -92.81 21.61 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.697 . . . . 0.63 110.086 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.498 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -105.77 108.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.486 -0.779 . . . . 0.25 110.275 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 48.5 m -86.03 115.57 62.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.346 -0.388 . . . . 0.28 110.678 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.82 -28.12 51.28 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 C-N-CA 122.797 2.331 . . . . 0.15 112.929 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.54 -23.32 40.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.731 -0.668 . . . . 0.14 110.877 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.465 ' O ' HG22 ' A' 2124 ' ' THR . 39.0 m -80.26 146.83 31.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.934 -0.765 . . . . 0.16 108.934 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.55 145.54 27.33 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 0.15 109.596 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' 2094 ' ' ILE . 35.1 m-85 -50.8 -35.28 31.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.58 -0.736 . . . . 0.12 111.904 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.539 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.1 -64.66 0.73 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.091 0.472 . . . . 1.69 110.575 171.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -60.06 -24.36 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.271 -0.877 . . . . 2.27 111.325 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' 2075 ' ' LEU . 88.2 mt -80.52 -12.64 59.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.995 -0.548 . . . . 0.24 112.085 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.6 2.65 14.76 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.247 -0.978 . . . . 0.2 114.3 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' 2089 ' ' PHE . 3.7 mm -64.68 130.72 30.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.203 0.816 . . . . 0.32 113.203 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -103.69 171.57 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.918 -1.037 . . . . 1.86 108.629 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 34.5 p -57.86 -41.69 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.451 0.569 . . . . 1.32 111.092 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' A' 2101 ' ' GLU . 14.1 tp -60.86 -55.68 30.17 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.954 -0.566 . . . . 1.61 110.59 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.43 ' CG2' HG13 ' A' 2074 ' ' VAL . 0.2 OUTLIER -68.1 -25.78 65.49 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 113.164 0.802 . . . . 0.19 113.164 -178.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.46 -24.28 65.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.894 0.854 . . . . 0.24 109.308 170.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -39.16 12.41 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.942 -1.026 . . . . 1.15 109.175 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.8 mt-10 -66.27 -34.92 79.09 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.808 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.8 tp -65.82 -52.38 51.12 Favored 'General case' 0 N--CA 1.418 -2.05 0 CA-C-O 121.472 0.653 . . . . 1.13 109.628 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -48.56 -41.32 30.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 2.11 110.755 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.9 m-20 -58.63 -49.51 77.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.4 110.793 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 39.7 m -65.75 -48.17 72.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.423 -0.353 . . . . 0.33 111.561 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' 2106 ' ' LEU . 2.0 mm? -59.82 -49.97 75.64 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 111.933 0.346 . . . . 1.47 111.933 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -28.44 69.86 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.18 0.515 . . . . 0.67 110.329 -177.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.5 t60 -73.54 -48.45 32.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.521 -0.763 . . . . 1.29 110.535 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' 2066 ' ' LEU . 9.6 m-80 -67.51 -44.61 78.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.119 -0.946 . . . . 0.4 112.402 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' A' 2049 ' ' MET . 58.6 p -74.01 -25.49 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.772 0.796 . . . . 0.33 109.377 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.24 5.05 87.7 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 114.751 -1.113 . . . . 0.36 112.039 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.802 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -96.44 -160.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.406 0.622 . . . . 0.47 110.157 -178.15 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -135.19 120.41 18.91 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.109 -0.951 . . . . 0.43 109.694 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 71.4 mt -129.4 157.4 76.38 Favored Pre-proline 0 C--N 1.306 -1.312 0 CA-C-N 114.502 -1.226 . . . . 1.25 110.886 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.594 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.1 Cg_endo -80.68 149.95 18.66 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 123.017 2.478 . . . . 0.33 111.972 176.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.88 5.05 2.73 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.251 1.967 . . . . 0.46 111.598 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 21.1 p -101.42 0.38 36.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.646 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2115 ' ' PRO . 56.1 mt -38.02 -62.86 0.52 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.734 0.778 . . . . 0.79 112.094 173.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.534 HG13 ' HA ' ' A' 2099 ' ' ALA . 7.9 mm -60.05 -21.95 23.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 113.826 -1.533 . . . . 0.28 111.748 -174.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -90.73 -34.66 15.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.383 -0.371 . . . . 0.38 111.778 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -87.73 -32.72 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.226 0.536 . . . . 1.34 111.333 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -129.5 71.04 82.13 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 108.583 -0.895 . . . . 0.43 108.583 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.664 ' O ' HG23 ' A' 2124 ' ' THR . 28.5 Cg_endo -91.9 102.89 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.045 0 C-N-CA 121.878 1.719 . . . . 0.25 112.438 -171.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.664 HG23 ' O ' ' A' 2123 ' ' PRO . 1.5 p 167.2 155.54 0.12 Allowed Pre-proline 0 C--N 1.321 -0.638 0 C-N-CA 127.546 2.339 . . . . 0.13 105.359 161.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 44.0 Cg_exo -55.18 -39.55 90.39 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 121.276 1.492 . . . . 0.14 109.999 172.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' A' 2130 ' ' GLN . 60.0 t60 -62.04 -48.65 79.29 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.029 -0.532 . . . . 0.42 111.58 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -54.63 -41.36 69.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.144 0.497 . . . . 0.13 110.951 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' 2089 ' ' PHE . 52.3 mt -76.9 -32.85 57.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.157 -0.474 . . . . 0.14 111.731 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.404 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 89.4 m -58.18 -31.96 67.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.954 0.883 . . . . 0.24 108.936 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.7 mm100 -80.38 -42.94 21.92 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.785 -1.098 . . . . 1.66 111.058 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -63.59 -52.76 59.55 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.412 0.153 . . . . 0.35 111.412 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.5 mm? -63.18 -34.76 78.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.744 -0.207 . . . . 1.13 111.518 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -66.69 -37.05 83.94 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.342 -0.614 . . . . 0.31 109.342 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.4 m -63.41 -52.34 61.96 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.775 -0.648 . . . . 0.36 110.25 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.7 mmm180 -51.71 -48.56 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.841 0.682 . . . . 1.64 112.841 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.802 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -70.35 -31.95 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.37 0.507 . . . . 0.97 112.37 -175.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.0 p -86.07 -28.95 23.77 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.051 0.453 . . . . 0.68 110.985 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -85.35 107.87 17.56 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 1.96 109.512 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 40.5 t -129.21 41.24 3.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.514 0.673 . . . . 3.1 110.563 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 12.0 t-80 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.351 -0.833 . . . . 6.9 109.742 179.426 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.951 0 N-CA-C 112.159 -0.377 . . . . 6.15 112.159 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 50.8 m 69.38 -62.21 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.295 0.638 . . . . 6.22 111.492 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.64 179.83 3.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.719 -0.475 . . . . 3.33 109.719 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.583 ' HB2' ' HA ' ' A' 2110 ' ' THR . 6.2 ttt -85.59 37.35 0.69 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.468 -0.787 . . . . 2.18 111.14 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' 2052 ' ' ASN . 10.1 mtt85 -35.87 9.95 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 117.81 2.522 . . . . 9.04 117.81 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' 2051 ' ' LEU . 26.0 tp -39.92 41.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 127.822 2.449 . . . . 2.25 116.637 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' 2050 ' ' ARG . 84.8 m-20 -79.08 152.58 30.76 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.763 -1.211 . . . . 4.07 109.788 176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 108.76 -30.26 8.95 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.661 -0.78 . . . . 1.88 112.298 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -85.01 145.37 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.913 -0.403 . . . . 1.6 109.913 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 45.3 m -64.37 149.08 95.41 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.969 -0.56 . . . . 1.18 110.255 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.677 ' O ' ' HG3' ' A' 2060 ' ' GLN . 48.0 Cg_exo -38.04 -52.67 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 124.005 3.136 . . . . 0.86 113.529 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.479 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 59.8 tt0 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.556 0.206 . . . . 1.95 111.556 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -61.0 -42.7 98.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.325 0.583 . . . . 1.6 109.554 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.533 ' HA ' HD21 ' A' 2051 ' ' LEU . 99.2 mt-30 -63.39 -39.07 93.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.25 -0.886 . . . . 1.5 110.67 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.677 ' HG3' ' O ' ' A' 2056 ' ' PRO . 48.3 mt-30 -58.24 -60.93 3.0 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 110.197 -0.297 . . . . 0.95 110.197 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 75.3 mt-30 -51.24 -34.75 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.506 0.504 . . . . 1.32 111.9 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.4 m -57.08 -51.64 68.46 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.557 -0.747 . . . . 0.77 111.286 173.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 7.4 mt -78.41 -22.06 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.783 0.802 . . . . 1.32 109.323 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.88 -49.64 65.0 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.104 -1.407 . . . . 0.51 108.363 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 90.1 m -66.6 -35.3 79.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.861 -1.518 . . . . 0.41 110.427 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.642 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 15.3 tp -58.92 -62.88 1.55 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.612 -0.722 . . . . 1.35 110.449 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.466 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.5 t -53.79 -41.91 49.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.18 -1.373 . . . . 0.22 110.935 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.533 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.65 -51.07 68.69 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.002 -0.999 . . . . 0.17 111.41 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.483 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.95 -28.08 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.13 0.491 . . . . 0.23 110.876 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.44 74.34 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.765 -0.652 . . . . 0.24 110.395 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.784 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.4 t -87.82 -22.99 24.17 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.953 -0.699 . . . . 0.28 109.863 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -51.79 -44.82 63.58 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.66 -0.867 . . . . 0.31 108.66 165.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.3 m -70.15 -52.09 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.338 -0.846 . . . . 0.46 110.765 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.704 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.1 t -58.53 -41.68 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 113.408 0.892 . . . . 0.56 113.408 -175.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.8 mt -82.52 -18.9 39.9 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-O 121.274 0.559 . . . . 0.74 110.215 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 87.69 39.38 7.15 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.556 -0.747 . . . . 0.93 113.499 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 11.8 p80 -125.38 -7.83 6.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.288 0.544 . . . . 0.97 111.414 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.484 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.2 m-70 69.97 -23.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.627 1.714 . . . . 1.56 115.627 166.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.8 p -89.54 124.51 64.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 119.311 0.96 . . . . 1.82 113.064 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.483 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.7 Cg_exo -84.87 -15.85 5.6 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.868 3.046 . . . . 0.51 111.177 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.17 -19.82 42.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 1.54 110.523 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 16.1 t -94.5 21.63 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.296 0.57 . . . . 0.63 110.195 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.549 HD12 HG23 ' A' 2071 ' ' THR . 9.7 mm -103.22 117.12 48.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.653 -0.703 . . . . 0.25 110.277 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 36.5 m -84.48 108.79 15.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.202 -0.454 . . . . 0.28 110.282 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.437 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.2 Cg_endo -66.78 -28.52 43.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.444 2.096 . . . . 0.15 112.484 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.01 57.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.654 -0.703 . . . . 0.14 111.273 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.3 m -75.39 148.13 39.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.085 -0.709 . . . . 0.16 109.085 175.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.52 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.12 144.44 29.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.222 -0.899 . . . . 0.15 109.861 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.518 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.8 m-85 -48.09 -39.44 20.3 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.705 0.628 . . . . 0.12 111.986 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.29 -65.48 0.56 Allowed 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 123.718 0.636 . . . . 1.69 110.675 175.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.28 -28.26 66.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.085 -0.961 . . . . 2.27 111.206 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.466 HD21 ' HB ' ' A' 2087 ' ' THR . 88.7 mt -73.6 -14.87 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.24 112.618 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.65 8.08 11.35 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.847 -1.168 . . . . 0.2 113.35 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -74.8 127.72 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.364 0.602 . . . . 0.32 112.253 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.74 -178.65 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.86 109.446 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 6.5 p -63.57 -43.22 97.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 1.32 110.914 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.6 tp -59.99 -56.71 18.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.432 -0.804 . . . . 1.61 110.616 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.504 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.84 -25.66 64.76 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 113.151 0.797 . . . . 0.19 113.151 -178.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.533 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -24.48 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.903 0.859 . . . . 0.24 109.374 170.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.7 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.98 -40.12 11.85 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.631 -1.168 . . . . 1.15 109.191 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.1 mt-10 -66.77 -33.09 74.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.46 111.171 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' 2106 ' ' LEU . 13.9 tp -65.06 -55.61 17.85 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 116.175 -0.466 . . . . 1.13 110.658 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.7 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -57.47 -30.96 65.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.431 -0.804 . . . . 2.11 110.55 176.111 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' 2101 ' ' GLU . 87.5 m-20 -58.93 -54.21 49.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.036 0.446 . . . . 0.4 110.29 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 35.2 m -63.0 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.33 110.725 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.1 mt -64.46 -50.22 68.35 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.273 -0.421 . . . . 1.47 111.174 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' 2103 ' ' ARG . 0.4 OUTLIER -60.92 -29.22 69.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.331 0.586 . . . . 0.67 110.327 -178.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.27 -46.11 57.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.709 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -73.17 -34.6 66.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.19 -0.913 . . . . 0.4 112.484 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.592 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 55.3 p -86.26 -26.81 24.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.361 0.6 . . . . 0.33 110.757 -176.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.19 4.62 89.83 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.412 -0.813 . . . . 0.36 111.093 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.61 HD21 HD13 ' A' 2136 ' ' LEU . 6.8 mt -91.8 -174.6 3.88 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.653 0.74 . . . . 0.47 110.557 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -128.42 116.05 19.16 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.474 -1.239 . . . . 0.43 109.68 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' 2118 ' ' LEU . 2.8 mm? -120.19 152.52 54.71 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 114.254 -1.339 . . . . 1.25 110.94 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -75.91 158.5 38.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.251 2.634 . . . . 0.33 111.907 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.4 Cg_endo -76.19 2.3 7.35 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.237 1.958 . . . . 0.46 111.195 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.9 p -102.89 4.15 37.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.534 -0.757 . . . . 0.36 111.919 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' 2103 ' ' ARG . 12.2 mt -41.05 -64.16 0.58 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.451 0.643 . . . . 0.79 112.438 174.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.63 HG21 HG21 ' A' 2094 ' ' ILE . 8.7 mm -55.97 -24.55 17.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.151 -1.386 . . . . 0.28 111.74 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -88.53 -28.54 20.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.095 -0.502 . . . . 0.38 111.57 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.32 -36.89 14.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.245 0.545 . . . . 1.34 111.005 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -130.68 77.82 74.98 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.472 -0.936 . . . . 0.43 108.472 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' 2124 ' ' THR . 32.9 Cg_endo -91.98 102.47 0.21 Allowed 'Trans proline' 0 N--CA 1.436 -1.902 0 C-N-CA 121.755 1.637 . . . . 0.25 112.412 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.719 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 155.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 127.694 2.397 . . . . 0.13 105.344 161.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.402 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 49.2 Cg_exo -55.39 -38.39 93.92 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.38 1.529 . . . . 0.14 110.228 171.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.576 ' O ' ' HG3' ' A' 2130 ' ' GLN . 53.1 t60 -64.27 -46.94 81.52 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.42 111.731 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.29 74.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.985 0.422 . . . . 0.13 111.328 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.43 HD11 HD13 ' A' 2119 ' ' ILE . 42.2 mt -75.23 -32.09 61.04 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 116.437 -0.347 . . . . 0.14 111.451 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 95.0 m -57.2 -30.91 64.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.555 0.693 . . . . 0.24 109.23 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -77.01 -49.05 16.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.016 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.554 ' O ' ' HG2' ' A' 2135 ' ' ARG . 76.7 t60 -65.14 -52.36 55.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 0.35 111.749 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.8 mm? -60.88 -32.97 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.084 -0.247 . . . . 1.13 111.202 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -64.16 -37.9 89.13 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.349 0.595 . . . . 0.31 109.428 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' 2138 ' ' GLN . 49.8 m -68.57 -33.91 74.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.092 -0.958 . . . . 0.36 110.933 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.57 ' CB ' HD13 ' A' 2112 ' ' LEU . 14.3 mmm180 -68.53 -42.63 78.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.898 0.332 . . . . 1.64 111.898 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.61 HD13 HD21 ' A' 2112 ' ' LEU . 3.6 mm? -68.79 -37.92 79.62 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.074 0.464 . . . . 0.97 111.984 176.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.1 p -82.26 -30.72 30.53 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.68 112.385 -169.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' 2134 ' ' THR . 16.6 mm100 -79.06 152.42 30.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.533 -0.303 . . . . 1.96 110.548 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 6.1 p -77.62 76.99 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.563 0.697 . . . . 3.1 110.185 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.298 -0.865 . . . . 6.9 110.016 -178.01 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.805 -0.518 . . . . 6.15 111.805 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 13.4 p -106.44 38.34 2.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 6.22 110.351 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 73.3 m80 56.08 -126.01 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.511 -0.768 . . . . 3.33 110.459 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.545 ' C ' ' H ' ' A' 2051 ' ' LEU . 16.2 ttt -112.44 37.42 3.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.481 -0.327 . . . . 2.18 110.343 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' 2050 ' ' ARG . 22.9 tpt180 -38.14 3.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.835 1.791 . . . . 9.04 115.835 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' 2059 ' ' GLN . 26.2 tp -39.98 -17.62 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.162 1.385 . . . . 2.25 113.677 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.455 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 16.4 m120 -48.71 151.0 1.26 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.175 0.512 . . . . 4.07 111.284 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.82 -30.43 7.77 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.166 -0.774 . . . . 1.88 111.166 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.54 155.3 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.289 -0.634 . . . . 1.6 109.289 170.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' 2058 ' ' GLN . 26.6 m -61.82 148.87 86.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.278 -0.419 . . . . 1.18 110.16 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.9 Cg_exo -38.6 -55.9 1.22 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 124.314 3.343 . . . . 0.86 114.295 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.03 -36.19 81.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.702 0.287 . . . . 1.95 110.668 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' 2055 ' ' SER . 20.9 mm-40 -58.16 -38.96 77.63 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.255 0.55 . . . . 1.6 110.147 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.597 ' HA ' HD21 ' A' 2051 ' ' LEU . 53.9 mt-30 -71.09 -43.01 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.529 -0.759 . . . . 1.5 110.75 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.9 mt-30 -59.51 -61.29 2.74 Favored 'General case' 0 C--O 1.205 -1.257 0 CA-C-N 116.277 -0.42 . . . . 0.95 111.11 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 91.0 mt-30 -48.23 -35.19 11.48 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.485 0.491 . . . . 1.32 111.903 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 2059 ' ' GLN . 89.0 m -58.79 -57.09 14.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.447 -0.797 . . . . 0.77 111.409 173.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 4.2 pp -76.65 -19.09 58.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.827 0.822 . . . . 1.32 109.592 -176.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.44 -50.52 63.1 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.093 -1.412 . . . . 0.51 108.422 175.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.8 m -65.63 -33.19 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.915 -1.493 . . . . 0.41 110.3 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.606 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.0 tp -60.67 -61.62 2.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 1.35 110.75 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2063 ' ' LEU . 58.1 t -50.1 -45.11 23.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.886 -1.052 . . . . 0.22 110.768 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.553 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.39 -47.44 86.07 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.843 -1.071 . . . . 0.17 111.429 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.54 -30.45 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.23 111.18 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -64.72 -45.87 84.7 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.877 -0.602 . . . . 0.24 109.735 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.733 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.6 t -87.39 -25.9 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.154 -0.618 . . . . 0.28 111.235 -176.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -52.26 -42.83 64.0 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.73 -0.841 . . . . 0.31 108.73 167.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.9 m -75.38 -48.83 21.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.412 -0.813 . . . . 0.46 111.099 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.8 OUTLIER -59.1 -40.55 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 113.119 0.785 . . . . 0.56 113.119 -175.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.4 mt -83.56 -14.21 52.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.346 0.593 . . . . 0.74 110.156 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.28 38.59 25.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.93 112.91 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.42 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.2 p80 -121.51 -15.68 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.179 0.49 . . . . 0.97 111.274 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.443 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.4 m-70 66.07 -178.74 0.2 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.371 -0.831 . . . . 1.56 111.266 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 25.6 p 54.09 115.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 114.528 1.307 . . . . 1.82 114.528 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.2 Cg_exo -80.99 -16.69 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.459 3.439 . . . . 0.51 111.085 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -78.89 -17.58 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.386 -0.825 . . . . 1.54 109.872 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -93.74 21.51 6.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.63 109.853 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.553 HG13 ' HB1' ' A' 2068 ' ' ALA . 12.5 mm -105.96 122.33 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.25 110.168 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 18.9 m -87.55 110.62 35.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.337 -0.392 . . . . 0.28 110.511 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' A' 2124 ' ' THR . 30.7 Cg_endo -67.63 -26.57 39.47 Favored 'Trans proline' 0 CA--C 1.514 -0.51 0 C-N-CA 122.739 2.293 . . . . 0.15 112.797 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.64 44.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.002 -0.544 . . . . 0.14 111.055 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.446 ' O ' HG22 ' A' 2124 ' ' THR . 28.0 m -75.95 145.75 40.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.2 -0.667 . . . . 0.16 109.2 174.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.543 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.63 142.42 32.77 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.194 -0.912 . . . . 0.15 109.082 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.545 ' HA ' HD12 ' A' 2092 ' ' LEU . 35.0 m-85 -47.27 -37.62 11.02 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.004 0.815 . . . . 0.12 111.774 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.548 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.27 -65.64 0.53 Allowed 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.551 0.532 . . . . 1.69 110.776 174.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.426 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.6 t70 -56.0 -31.68 63.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.447 -0.797 . . . . 2.27 111.108 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 2089 ' ' PHE . 81.8 mt -69.54 -17.43 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.624 -0.716 . . . . 0.24 111.973 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.67 -1.26 11.15 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.511 -0.852 . . . . 0.2 113.416 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2119 ' ' ILE . 5.7 mm -64.32 132.47 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.984 0.735 . . . . 0.32 112.984 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.45 165.45 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.791 -1.095 . . . . 1.86 108.253 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 27.9 t -53.54 -35.13 60.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 118.706 0.685 . . . . 1.32 111.551 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.7 mt -67.49 -53.74 26.14 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.246 0.546 . . . . 1.61 110.092 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.687 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -68.85 -26.27 65.06 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.19 112.303 178.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.57 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.28 -24.41 64.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.887 0.851 . . . . 0.24 109.405 170.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -37.49 14.07 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.633 -1.167 . . . . 1.15 109.005 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' 2097 ' ' LEU . 26.9 mt-10 -66.19 -36.96 84.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.988 -0.551 . . . . 0.46 111.315 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 11.1 mt -54.61 -62.09 1.88 Allowed 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.219 0.533 . . . . 1.13 109.685 173.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -48.81 -39.74 26.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.232 -1.349 . . . . 2.11 111.171 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -57.15 -53.1 61.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.942 0.401 . . . . 0.4 111.314 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 99.8 m -71.51 -40.23 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 0.33 111.19 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' 2107 ' ' THR . 0.6 OUTLIER -72.45 -42.92 64.46 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 123.439 0.695 . . . . 1.47 112.01 -174.188 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.498 ' N ' HD23 ' A' 2106 ' ' LEU . 1.3 t -69.69 -27.04 64.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.307 -0.627 . . . . 0.67 109.307 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.03 -52.71 32.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.324 -0.853 . . . . 1.29 110.255 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -63.29 -37.33 86.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.256 -0.883 . . . . 0.4 112.661 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.578 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 46.5 p -83.02 -19.08 37.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.46 0.648 . . . . 0.33 110.298 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 73.08 6.71 69.17 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.265 -0.879 . . . . 0.36 111.307 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.578 ' CD1' ' HB ' ' A' 2110 ' ' THR . 12.6 mt -86.99 -171.85 3.7 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.613 0.72 . . . . 0.47 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.9 t70 -134.26 109.7 9.03 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.589 -1.187 . . . . 0.43 109.941 174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' 2112 ' ' LEU . 2.7 mm? -121.88 154.24 60.76 Favored Pre-proline 0 C--N 1.298 -1.645 0 CA-C-N 113.718 -1.583 . . . . 1.25 111.123 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.636 ' O ' ' HG ' ' A' 2118 ' ' LEU . 87.8 Cg_endo -77.03 152.2 31.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 123.134 2.556 . . . . 0.33 111.487 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.5 -7.01 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.214 1.943 . . . . 0.46 111.389 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -91.24 4.26 52.74 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.36 111.748 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.7 mt -39.36 -61.31 0.8 Allowed 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.968 0.889 . . . . 0.79 111.306 171.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.62 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -56.18 -25.63 20.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.362 -1.745 . . . . 0.28 111.902 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -90.36 -34.51 15.65 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.856 0.36 . . . . 0.38 111.602 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -85.82 -32.66 21.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.592 0.71 . . . . 1.34 110.744 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -132.15 75.93 73.98 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 108.279 -1.008 . . . . 0.43 108.279 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.707 ' O ' HG23 ' A' 2124 ' ' THR . 32.4 Cg_endo -91.55 102.96 0.23 Allowed 'Trans proline' 0 N--CA 1.436 -1.862 0 C-N-CA 121.403 1.402 . . . . 0.25 112.74 -171.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.707 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 166.82 158.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 127.944 2.498 . . . . 0.13 105.146 158.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.422 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 45.1 Cg_exo -55.75 -37.89 95.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 CA-C-N 121.405 1.538 . . . . 0.14 110.113 170.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.475 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 53.5 t60 -67.64 -42.0 82.95 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.728 -0.669 . . . . 0.42 112.03 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.5 80.52 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.105 0.479 . . . . 0.13 110.615 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.542 HD11 HD13 ' A' 2119 ' ' ILE . 46.9 mt -75.46 -26.72 58.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 0.14 111.449 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.487 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 31.9 m -60.47 -28.83 68.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.648 0.737 . . . . 0.24 109.118 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.26 -53.15 6.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.205 -0.907 . . . . 1.66 110.665 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -61.45 -49.98 74.63 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.159 0.429 . . . . 0.35 112.159 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.41 -28.58 68.03 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.991 -0.284 . . . . 1.13 111.415 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -67.19 -45.03 78.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.756 -0.831 . . . . 0.31 108.756 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 84.9 m -58.74 -38.05 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.012 -0.995 . . . . 0.36 111.509 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.517 ' HB3' HD22 ' A' 2112 ' ' LEU . 14.5 mmm180 -63.23 -44.53 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 1.64 111.611 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.517 HD23 HD21 ' A' 2112 ' ' LEU . 90.9 mt -75.13 -32.06 61.26 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.751 0.648 . . . . 0.97 112.751 -175.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.8 p -97.36 -44.8 6.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.337 0.589 . . . . 0.68 111.925 -174.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 146.99 24.71 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.332 -0.849 . . . . 1.96 111.049 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 1.2 p -93.54 90.06 6.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.645 -0.707 . . . . 3.1 110.485 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.512 -0.756 . . . . 6.9 110.18 -177.783 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.767 -0.533 . . . . 6.15 111.767 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 15.9 m -74.08 -60.61 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 6.22 110.556 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 64.3 m80 -89.76 157.66 17.86 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.502 -0.555 . . . . 3.33 109.502 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.635 ' C ' ' H ' ' A' 2051 ' ' LEU . 12.3 ttt -82.47 35.24 0.45 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.759 -0.655 . . . . 2.18 111.151 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' 2052 ' ' ASN . 10.2 mtt180 -47.33 6.21 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.397 1.479 . . . . 9.04 114.992 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' 2051 ' ' LEU . 51.1 tp -27.7 44.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 129.662 3.185 . . . . 2.25 118.048 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' 2050 ' ' ARG . 8.6 p30 -77.61 160.81 28.28 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 120.893 -1.129 . . . . 4.07 109.266 174.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.78 -23.04 20.61 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.033 -0.827 . . . . 1.88 111.033 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.403 ' HB2' ' HG2' ' A' 2059 ' ' GLN . 80.7 mt -100.19 153.17 19.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.391 -0.596 . . . . 1.6 109.391 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 44.8 m -68.05 145.94 97.93 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 108.906 -0.776 . . . . 1.18 108.906 171.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.699 ' O ' ' HG3' ' A' 2060 ' ' GLN . 33.7 Cg_exo -39.69 -51.91 2.76 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.715 2.943 . . . . 0.86 114.096 -176.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.58 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.604 0.24 . . . . 1.95 111.319 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -66.96 -42.01 85.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.08 0.467 . . . . 1.6 110.0 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' 2062 ' ' THR . 45.0 mt-30 -59.89 -41.64 92.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.646 -0.706 . . . . 1.5 109.61 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.699 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.43 -59.05 6.08 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.401 -0.818 . . . . 0.95 110.651 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 78.8 mt-30 -52.17 -34.48 45.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.085 0.469 . . . . 1.32 111.924 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' 2059 ' ' GLN . 94.8 m -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.721 -0.672 . . . . 0.77 111.129 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -78.74 -18.41 54.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.889 0.852 . . . . 1.32 109.29 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.26 -44.22 84.29 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.125 -1.398 . . . . 0.51 108.737 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.7 m -61.95 -39.25 91.46 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 113.873 -1.512 . . . . 0.41 110.132 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -55.81 30.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.536 -0.756 . . . . 1.35 108.996 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 2063 ' ' LEU . 70.5 t -52.04 -47.6 42.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.053 -0.976 . . . . 0.22 111.275 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.4 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -65.57 -49.32 69.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.32 -0.855 . . . . 0.17 111.567 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.39 70.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.177 0.513 . . . . 0.23 110.671 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.04 82.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.531 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.798 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.5 t -86.45 -25.01 25.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.05 -0.66 . . . . 0.28 110.475 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -48.84 -49.23 40.29 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.13 -0.693 . . . . 0.31 109.13 166.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 59.6 m -67.73 -49.17 63.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.43 -0.804 . . . . 0.46 110.99 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.75 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.564 0.95 . . . . 0.56 113.564 -175.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -80.31 -16.53 54.41 Favored 'General case' 0 CA--C 1.523 -0.067 0 O-C-N 121.952 -0.467 . . . . 0.74 110.297 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.98 27.01 11.5 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.844 -0.693 . . . . 0.93 113.422 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 5.3 p80 -121.63 1.28 10.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.397 0.598 . . . . 0.97 111.758 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 81.4 m-70 67.66 -54.1 0.49 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.466 1.654 . . . . 1.56 115.466 168.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.513 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 3.5 t -91.73 144.94 30.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.17 -1.012 . . . . 1.82 112.102 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -84.67 -1.62 9.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 124.979 3.786 . . . . 0.51 111.67 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.2 -11.54 59.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.365 -0.834 . . . . 1.54 111.603 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.0 t -118.45 21.68 12.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 0.63 110.538 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.656 HD12 HG23 ' A' 2071 ' ' THR . 23.2 mm -96.13 106.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.25 110.389 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 17.9 m -83.11 112.7 40.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.251 -0.432 . . . . 0.28 110.133 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.58 -27.63 53.46 Favored 'Trans proline' 0 CA--C 1.513 -0.549 0 C-N-CA 122.593 2.195 . . . . 0.15 112.499 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.09 53.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.481 -0.781 . . . . 0.14 111.2 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.433 ' O ' HG22 ' A' 2124 ' ' THR . 35.4 m -78.48 146.68 34.28 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.546 0.689 . . . . 0.16 109.362 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.514 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.43 140.36 34.7 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.968 -1.015 . . . . 0.15 109.419 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.523 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.8 m-85 -46.71 -34.71 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.82 -1.082 . . . . 0.12 112.217 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.59 -64.99 0.64 Allowed 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 123.392 0.433 . . . . 1.69 110.755 173.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.61 -24.74 65.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.577 -0.738 . . . . 2.27 111.343 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2089 ' ' PHE . 85.7 mt -76.32 -14.72 60.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.24 111.903 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.57 11.7 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.21 -0.995 . . . . 0.2 113.825 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2119 ' ' ILE . 2.8 mm -63.78 130.87 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.763 0.653 . . . . 0.32 112.763 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -107.81 175.61 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.919 -0.771 . . . . 1.86 108.919 170.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 14.8 m -60.87 -32.54 71.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.055 0.455 . . . . 1.32 111.223 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' 2101 ' ' GLU . 59.6 mt -70.1 -52.56 22.76 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.917 -0.583 . . . . 1.61 110.11 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.75 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.49 -26.59 63.68 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.631 -0.713 . . . . 0.19 112.619 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.37 -23.64 65.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.025 0.917 . . . . 0.24 109.262 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.619 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.08 -35.95 15.16 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.56 -1.2 . . . . 1.15 109.305 179.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' 2098 ' ' THR . 25.2 mt-10 -66.01 -38.76 89.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.547 . . . . 0.46 110.782 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' 2071 ' ' THR . 6.3 mt -54.69 -64.82 0.71 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.229 -0.441 . . . . 1.13 111.358 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -49.9 -36.33 26.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.169 -0.923 . . . . 2.11 110.684 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' 2103 ' ' ARG . 18.8 m-20 -60.38 -46.3 90.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.4 111.069 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -72.44 -42.91 64.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 0.33 110.824 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 2102 ' ' LEU . 85.9 mt -67.14 -52.16 45.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 1.47 111.674 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.3 t -65.04 -27.62 68.92 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.083 0.468 . . . . 0.67 110.106 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -64.66 -55.87 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 1.29 110.405 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.42 -43.68 96.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.79 -1.096 . . . . 0.4 112.597 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.592 ' HA ' ' HB2' ' A' 2049 ' ' MET . 46.7 p -75.3 -22.1 57.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.723 0.773 . . . . 0.33 109.79 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.97 3.72 88.23 Favored Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.889 -1.051 . . . . 0.36 111.509 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.919 HD21 HD23 ' A' 2136 ' ' LEU . 12.1 mt -83.36 -173.74 4.88 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 114.702 -0.749 . . . . 0.47 111.181 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -126.01 119.37 27.49 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.164 -1.38 . . . . 0.43 108.872 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2118 ' ' LEU . 63.4 mt -135.44 149.5 69.72 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.765 -1.107 . . . . 1.25 111.275 -170.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.87 158.62 27.65 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.505 2.803 . . . . 0.33 111.96 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.478 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.9 Cg_endo -77.16 3.49 6.64 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.208 1.939 . . . . 0.46 111.401 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 -0.38 42.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.652 -0.704 . . . . 0.36 111.678 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.419 HD11 HD13 ' A' 2114 ' ' LEU . 18.4 mt -39.28 -63.34 0.56 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.669 0.747 . . . . 0.79 112.689 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.587 HG21 HG21 ' A' 2094 ' ' ILE . 8.3 mm -57.35 -24.91 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.6 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -90.17 -29.16 18.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.401 0.619 . . . . 0.38 111.222 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.64 -35.58 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.269 -0.878 . . . . 1.34 111.028 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -137.11 77.64 42.17 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.038 -1.097 . . . . 0.43 108.038 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.747 ' O ' HG23 ' A' 2124 ' ' THR . 12.2 Cg_endo -90.88 103.4 0.27 Allowed 'Trans proline' 0 N--CA 1.437 -1.811 0 C-N-CA 121.894 1.73 . . . . 0.25 112.393 -170.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.747 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.86 155.45 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 127.739 2.416 . . . . 0.13 104.842 160.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.5 Cg_exo -55.33 -37.68 94.4 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 CA-C-N 121.359 1.521 . . . . 0.14 110.164 172.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' 2130 ' ' GLN . 59.6 t60 -65.93 -48.42 71.44 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.597 -0.729 . . . . 0.42 111.732 177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.36 74.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.1 0.409 . . . . 0.13 111.307 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.547 HD11 HD13 ' A' 2119 ' ' ILE . 27.9 mt -71.51 -36.85 71.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.549 -0.296 . . . . 0.14 111.445 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.51 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 87.0 m -58.04 -26.45 62.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.712 0.768 . . . . 0.24 109.549 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' 2126 ' ' HIS . 7.1 mt-30 -80.59 -50.58 9.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.04 -0.982 . . . . 1.66 110.186 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.2 t60 -65.0 -48.17 74.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.941 0.4 . . . . 0.35 111.527 -174.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.429 ' HB2' HD13 ' A' 2063 ' ' LEU . 20.8 mt -64.53 -30.9 71.93 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.997 -0.547 . . . . 1.13 111.031 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -67.46 -43.07 81.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.814 -0.81 . . . . 0.31 108.814 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 59.6 m -60.69 -31.72 70.96 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.096 -0.956 . . . . 0.36 111.502 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.556 ' CB ' HD13 ' A' 2112 ' ' LEU . 21.1 mmm180 -73.32 -31.79 64.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.733 0.301 . . . . 1.64 111.472 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.919 HD23 HD21 ' A' 2112 ' ' LEU . 95.0 mt -82.31 -43.68 17.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.863 0.363 . . . . 0.97 111.667 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.7 p -82.53 -48.35 11.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.68 111.34 -175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.32 148.48 24.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.271 -0.877 . . . . 1.96 110.069 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 33.7 m -151.58 74.21 1.11 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.533 0.682 . . . . 3.1 109.885 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.5 t-80 . . . . . 0 C--O 1.244 0.805 0 CA-C-N 115.259 -0.882 . . . . 6.9 109.768 -176.799 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.798 -0.521 . . . . 6.15 111.798 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 19.4 m -80.37 66.92 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.154 0.502 . . . . 6.22 111.186 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.5 ' HA ' ' HA3' ' A' 2111 ' ' GLY . 38.6 m80 -147.49 166.69 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.479 0.657 . . . . 3.33 110.605 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.609 ' C ' ' H ' ' A' 2051 ' ' LEU . 11.4 ttt -79.54 40.25 0.43 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.584 -1.189 . . . . 2.18 111.767 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' 2050 ' ' ARG . 11.2 tpt180 -31.94 5.6 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 127.485 2.314 . . . . 9.04 116.696 174.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 2051 ' ' LEU . 25.8 tp -51.91 39.19 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.291 1.837 . . . . 2.25 113.837 171.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' 2050 ' ' ARG . 7.4 t30 -85.39 150.6 24.61 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.174 -0.954 . . . . 4.07 109.171 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.08 -30.12 8.62 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.168 -0.773 . . . . 1.88 111.168 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.22 143.6 38.87 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.529 -0.545 . . . . 1.6 109.529 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.7 m -61.3 145.49 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 1.18 109.732 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.694 ' O ' ' HG3' ' A' 2060 ' ' GLN . 6.7 Cg_exo -38.4 -52.35 1.97 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.711 2.94 . . . . 0.86 113.73 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.89 -40.74 97.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.061 0.226 . . . . 1.95 111.191 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -56.08 -47.95 77.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.52 -0.548 . . . . 1.6 109.52 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' A' 2062 ' ' THR . 99.3 mt-30 -59.58 -43.81 93.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.487 -0.779 . . . . 1.5 110.659 177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.694 ' HG3' ' O ' ' A' 2056 ' ' PRO . 43.1 mt-30 -58.82 -57.79 11.48 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.473 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.1 mt-30 -55.23 -35.9 65.42 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 123.346 0.404 . . . . 1.32 111.394 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.6 m -56.62 -53.8 53.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.791 -0.64 . . . . 0.77 111.188 173.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.2 -17.91 53.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.001 0.905 . . . . 1.32 109.572 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.76 -46.29 72.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.024 -1.444 . . . . 0.51 108.345 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.5 m -64.59 -36.28 83.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.054 -1.43 . . . . 0.41 110.457 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -59.16 -58.11 10.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.054 -0.721 . . . . 1.35 109.054 177.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.504 ' HA ' HD21 ' A' 2106 ' ' LEU . 53.0 t -55.32 -45.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.063 -0.971 . . . . 0.22 110.977 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.71 -46.11 83.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.206 -0.906 . . . . 0.17 111.196 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -61.95 -33.34 74.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.241 0.543 . . . . 0.23 110.719 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.22 92.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.273 -0.876 . . . . 0.24 110.46 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.734 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -88.39 -24.75 22.99 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 119.998 -0.681 . . . . 0.28 110.925 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.14 47.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.059 -0.719 . . . . 0.31 109.059 165.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.6 m -72.56 -50.92 22.3 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.879 -1.055 . . . . 0.46 110.962 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.818 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -57.66 -42.82 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 113.273 0.842 . . . . 0.56 113.273 -175.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.1 mt -77.49 -15.41 59.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.317 0.579 . . . . 0.74 110.307 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 83.8 35.56 15.82 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.484 -0.78 . . . . 0.93 112.939 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 25.1 p80 -120.68 -14.52 8.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.12 -0.632 . . . . 0.97 112.053 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 65.37 161.33 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.918 -0.583 . . . . 1.56 112.5 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.0 t 43.6 138.68 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 126.369 1.868 . . . . 1.82 115.186 -170.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 1.9 Cg_endo -83.21 -2.42 10.67 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 124.837 3.692 . . . . 0.51 111.91 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.51 -7.95 47.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.409 -0.814 . . . . 1.54 111.248 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.1 t -117.04 14.07 14.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.979 -0.555 . . . . 0.63 110.254 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.612 HD12 HG23 ' A' 2071 ' ' THR . 29.2 mm -89.68 120.05 37.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.056 -0.52 . . . . 0.25 110.568 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 9.3 m -89.53 109.4 31.49 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.985 -0.552 . . . . 0.28 110.206 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 21.6 Cg_endo -66.13 -26.99 49.62 Favored 'Trans proline' 0 CA--C 1.513 -0.558 0 C-N-CA 122.551 2.167 . . . . 0.15 112.491 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.69 52.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.541 -0.754 . . . . 0.14 111.38 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 47.5 m -75.67 145.99 40.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.322 0.582 . . . . 0.16 109.488 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.54 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.42 144.17 30.67 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.065 -0.97 . . . . 0.15 109.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.556 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.7 m-85 -48.82 -38.83 23.27 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 123.845 0.716 . . . . 0.12 111.917 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -47.14 -65.33 0.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.111 -0.495 . . . . 1.69 110.948 172.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.91 -23.67 65.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.491 -0.777 . . . . 2.27 111.544 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' 2089 ' ' PHE . 89.8 mt -76.03 -21.19 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.343 -0.39 . . . . 0.24 111.915 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.49 11.43 6.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.289 -0.958 . . . . 0.2 113.583 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2119 ' ' ILE . 2.0 mm -70.63 130.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.65 177.41 4.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.845 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 19.4 m -64.76 -38.0 89.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.103 0.411 . . . . 1.32 110.489 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.8 tp -60.59 -54.65 42.85 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 123.44 0.696 . . . . 1.61 110.737 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.818 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -71.25 -26.8 63.06 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 112.85 0.685 . . . . 0.19 112.85 -179.284 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.83 -23.35 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.819 0.818 . . . . 0.24 109.276 170.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.36 -37.48 14.84 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.863 -1.062 . . . . 1.15 108.825 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' 2097 ' ' LEU . 28.8 mt-10 -65.1 -37.77 88.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.095 -0.502 . . . . 0.46 110.835 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.4 mt -56.36 -60.0 4.15 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.12 0.486 . . . . 1.13 110.223 171.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.5 OUTLIER -47.72 -45.56 28.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.598 -1.183 . . . . 2.11 110.948 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -53.69 -53.29 54.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.4 111.174 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.3 m -67.69 -43.64 79.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.873 -0.603 . . . . 0.33 111.338 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2102 ' ' LEU . 74.5 mt -67.33 -48.47 67.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 1.47 111.605 -176.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.52 -28.19 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.102 0.477 . . . . 0.67 110.017 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.88 -51.54 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 1.29 110.399 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.61 -39.54 94.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.217 -0.901 . . . . 0.4 112.24 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.583 ' HA ' ' HB2' ' A' 2049 ' ' MET . 43.0 p -78.33 -26.28 46.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.652 0.739 . . . . 0.33 109.64 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' 2048 ' ' HIS . . . 84.08 8.71 83.5 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.928 -1.033 . . . . 0.36 112.211 175.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.825 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -101.48 -160.38 0.79 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.13 0.491 . . . . 0.47 109.728 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -135.69 121.89 20.3 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.358 -0.837 . . . . 0.43 110.009 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.93 157.76 76.99 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 114.643 -1.162 . . . . 1.25 111.21 -171.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.61 ' O ' ' HG ' ' A' 2118 ' ' LEU . 79.3 Cg_endo -79.52 153.95 23.87 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.264 2.642 . . . . 0.33 111.696 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.01 2.92 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.083 1.856 . . . . 0.46 111.352 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 18.6 p -96.6 -1.09 47.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.815 -0.629 . . . . 0.36 111.889 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' 2115 ' ' PRO . 87.2 mt -38.33 -59.59 0.87 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.712 0.768 . . . . 0.79 111.79 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.562 HG21 HG21 ' A' 2094 ' ' ILE . 8.0 mm -57.31 -25.7 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 113.778 -1.556 . . . . 0.28 111.681 -175.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -90.9 -34.69 15.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.07 0.462 . . . . 0.38 111.48 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.95 -29.97 26.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.34 110.878 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -136.52 75.42 51.2 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.11 -1.071 . . . . 0.43 108.11 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.724 ' O ' HG23 ' A' 2124 ' ' THR . 34.0 Cg_endo -91.95 103.31 0.22 Allowed 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 121.71 1.606 . . . . 0.25 112.37 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.724 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.6 155.96 0.13 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 127.743 2.417 . . . . 0.13 105.027 160.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.452 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 38.2 Cg_exo -55.34 -37.48 94.57 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 121.268 1.489 . . . . 0.14 110.337 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 75.0 t60 -69.46 -43.08 73.99 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.42 112.052 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.0 73.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.154 0.502 . . . . 0.13 110.501 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2119 ' ' ILE . 45.5 mt -74.8 -27.29 60.25 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.952 -0.567 . . . . 0.14 111.544 177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.425 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 32.2 m -61.58 -30.64 70.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.704 0.764 . . . . 0.24 109.035 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -80.78 -43.34 20.27 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.266 -0.879 . . . . 1.66 110.18 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.0 t60 -66.46 -52.59 44.65 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.114 -0.494 . . . . 0.35 111.477 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.4 mm? -63.05 -31.97 73.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.199 -0.2 . . . . 1.13 111.28 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -68.39 -44.32 75.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.162 -0.681 . . . . 0.31 109.162 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.8 m -57.32 -51.76 68.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.594 -0.73 . . . . 0.36 110.327 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.681 ' HB3' HD13 ' A' 2112 ' ' LEU . 20.3 mmm180 -50.61 -48.65 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 1.64 112.584 -176.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.825 HD23 HD21 ' A' 2112 ' ' LEU . 78.4 mt -68.7 -37.01 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.076 0.399 . . . . 0.97 112.076 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 66.5 p -79.87 -17.68 52.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 0.68 111.133 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -87.19 129.38 34.98 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.768 -0.651 . . . . 1.96 110.6 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 119.7 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 3.1 111.074 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.488 -0.768 . . . . 6.9 109.646 179.762 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 112.392 -0.283 . . . . 6.15 112.392 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 66.0 m -81.98 65.11 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.148 0.499 . . . . 6.22 111.081 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 36.8 m80 -125.68 88.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.15 -0.685 . . . . 3.33 109.15 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.59 ' HB2' ' HA ' ' A' 2110 ' ' THR . 48.8 ttp -28.87 -78.75 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.135 1.532 . . . . 2.18 115.135 -167.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.591 ' H ' HD22 ' A' 2051 ' ' LEU . 6.0 mtt180 -106.62 1.11 24.94 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.208 -0.905 . . . . 9.04 110.679 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' 2059 ' ' GLN . 2.4 mm? -100.76 38.89 1.45 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.666 -0.697 . . . . 2.25 112.785 -160.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -91.12 107.65 19.34 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.575 -0.45 . . . . 4.07 110.418 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 88.49 -7.38 81.92 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.881 -0.676 . . . . 1.88 113.729 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.98 141.02 37.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.457 0.629 . . . . 1.6 110.793 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' 2056 ' ' PRO . 69.6 m -73.55 159.96 83.4 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.522 -0.763 . . . . 1.18 110.596 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.697 ' O ' ' HG3' ' A' 2060 ' ' GLN . 23.9 Cg_exo -38.8 -58.05 0.82 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 124.144 3.229 . . . . 0.86 115.079 -174.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.03 -37.64 88.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.432 0.16 . . . . 1.95 111.432 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -60.18 -46.18 90.6 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.079 0.466 . . . . 1.6 109.901 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.604 ' HA ' HD12 ' A' 2051 ' ' LEU . 54.1 mt-30 -59.25 -41.1 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.319 -0.855 . . . . 1.5 110.535 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' 2056 ' ' PRO . 20.0 mt-30 -59.79 -61.6 2.49 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.037 -0.529 . . . . 0.95 110.884 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 77.5 mt-30 -53.0 -35.71 59.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.335 0.397 . . . . 1.32 111.76 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' 2059 ' ' GLN . 82.4 m -52.3 -54.01 36.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.7 -0.682 . . . . 0.77 111.197 172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.416 HD21 HD11 ' A' 2136 ' ' LEU . 12.2 mt -78.05 -24.57 47.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.622 0.725 . . . . 1.32 109.426 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.252 -1.34 . . . . 0.51 108.707 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 84.9 m -77.0 -37.34 55.27 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.975 -1.466 . . . . 0.41 110.82 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -57.74 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.579 0.704 . . . . 1.35 109.504 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' 2125 ' ' PRO . 68.6 t -56.11 -43.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.662 -1.154 . . . . 0.22 110.984 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -66.07 -46.33 78.1 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.051 -0.977 . . . . 0.17 110.997 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.466 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.76 -33.49 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.23 110.654 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.22 88.68 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.098 -0.955 . . . . 0.24 110.649 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -86.9 -22.74 25.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.825 -0.75 . . . . 0.28 110.441 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -52.8 -43.21 65.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.267 -0.642 . . . . 0.31 109.267 167.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.9 m -77.91 -46.95 19.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.359 -0.837 . . . . 0.46 111.162 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.699 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -58.39 -43.19 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 112.824 0.676 . . . . 0.56 112.824 -177.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.3 mt -75.58 -32.96 60.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.352 -0.61 . . . . 0.74 109.352 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 100.91 15.41 28.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.93 112.775 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.537 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.5 p80 -95.17 -17.67 21.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.405 . . . . 0.97 110.919 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 69.57 159.36 0.18 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.127 -0.942 . . . . 1.56 112.67 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.4 t 46.59 141.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 126.614 1.966 . . . . 1.82 115.272 -172.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.466 ' HB3' ' N ' ' A' 2069 ' ' ALA . 1.3 Cg_endo -85.33 1.72 8.17 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 124.75 3.633 . . . . 0.51 111.834 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.439 ' HG2' HG23 ' A' 2079 ' ' THR . 9.8 pt-20 -67.34 -18.22 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.605 -0.725 . . . . 1.54 111.078 -176.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 7.3 t -114.2 20.11 15.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.117 0.484 . . . . 0.63 110.53 -174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.573 HD12 HG23 ' A' 2071 ' ' THR . 18.7 mm -95.27 123.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.3 -0.409 . . . . 0.25 110.668 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 16.4 m -91.42 109.01 33.16 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 0.28 110.23 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 21.2 Cg_endo -65.62 -27.91 52.95 Favored 'Trans proline' 0 CA--C 1.513 -0.557 0 C-N-CA 122.507 2.138 . . . . 0.15 112.529 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.21 56.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.817 -0.629 . . . . 0.14 111.296 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.443 ' O ' HG22 ' A' 2124 ' ' THR . 57.2 m -76.82 146.48 37.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.58 0.705 . . . . 0.16 109.621 176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.499 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.74 143.33 30.95 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.765 -1.107 . . . . 0.15 109.94 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.51 ' HZ ' ' CG1' ' A' 2067 ' ' VAL . 38.5 m-85 -47.71 -39.95 18.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.613 -0.721 . . . . 0.12 112.182 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -48.55 -61.58 1.95 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.784 -0.644 . . . . 1.69 110.82 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.18 -18.71 63.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.899 -1.046 . . . . 2.27 111.975 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' 2089 ' ' PHE . 95.8 mt -83.5 -16.66 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.257 -0.428 . . . . 0.24 112.011 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.53 8.04 11.52 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.292 -0.956 . . . . 0.2 113.139 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2119 ' ' ILE . 4.6 mm -72.28 127.0 33.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.276 0.473 . . . . 0.32 112.276 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -99.95 -179.29 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 1.86 109.398 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.1 m -68.23 -30.71 69.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.166 0.439 . . . . 1.32 111.065 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' 2101 ' ' GLU . 58.2 mt -71.22 -54.66 10.17 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.315 0.579 . . . . 1.61 109.677 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.699 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -67.83 -25.84 65.76 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.441 -0.799 . . . . 0.19 112.777 -179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.576 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.44 -25.69 64.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.896 0.855 . . . . 0.24 109.719 170.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -36.07 14.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.865 -1.061 . . . . 1.15 109.011 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.4 mt-10 -67.77 -34.53 76.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.744 -0.662 . . . . 0.46 111.505 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 2102 ' ' LEU . 9.9 mt -56.51 -60.57 3.34 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.422 0.63 . . . . 1.13 109.976 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.8 OUTLIER -49.11 -40.36 31.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.197 -1.365 . . . . 2.11 111.064 175.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 2101 ' ' GLU . 85.0 m-20 -53.66 -54.7 34.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.361 -0.381 . . . . 0.4 110.695 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -39.26 82.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.33 111.103 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' 2102 ' ' LEU . 5.0 mp -60.55 -56.6 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 1.47 112.172 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.3 t -68.52 -28.19 66.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 0.67 110.309 -175.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.99 -46.6 64.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.247 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.57 -51.34 63.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.005 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.59 ' HA ' ' HB2' ' A' 2049 ' ' MET . 31.9 p -71.49 -31.32 66.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.339 0.59 . . . . 0.33 109.891 -171.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.92 7.54 61.17 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 114.791 -1.095 . . . . 0.36 111.727 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' 2136 ' ' LEU . 0.1 OUTLIER -99.8 -158.27 0.66 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.118 -0.541 . . . . 0.47 110.024 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -136.43 124.82 23.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.048 -0.978 . . . . 0.43 110.017 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 68.5 mt -133.73 153.57 80.15 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.168 -0.924 . . . . 1.25 111.617 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.573 ' O ' ' HG ' ' A' 2118 ' ' LEU . 43.6 Cg_endo -84.91 153.19 11.3 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 123.548 2.832 . . . . 0.33 112.0 176.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.2 -2.47 12.11 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.223 1.948 . . . . 0.46 111.451 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.5 p -91.96 0.2 57.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.36 111.523 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 23.5 mt -38.82 -65.46 0.36 Allowed 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 112.657 0.614 . . . . 0.79 112.657 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.598 HG21 HG21 ' A' 2094 ' ' ILE . 8.8 mm -55.54 -26.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 114.57 -1.195 . . . . 0.28 111.728 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -85.35 -29.48 24.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.974 0.416 . . . . 0.38 111.532 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.56 -30.1 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 1.34 110.828 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -138.95 76.97 32.82 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.558 -0.746 . . . . 0.43 109.175 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' 2124 ' ' THR . 18.0 Cg_endo -92.51 103.13 0.19 Allowed 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.007 1.805 . . . . 0.25 112.333 -174.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.752 HG23 ' O ' ' A' 2123 ' ' PRO . 2.8 p 168.33 154.59 0.14 Allowed Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 127.598 2.359 . . . . 0.13 105.214 161.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.57 ' HA ' HG11 ' A' 2067 ' ' VAL . 41.3 Cg_exo -55.81 -37.32 95.86 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 CA-C-N 121.135 1.441 . . . . 0.14 110.267 172.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.579 ' O ' ' HG3' ' A' 2130 ' ' GLN . 46.4 t60 -65.18 -48.14 74.48 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.435 -0.802 . . . . 0.42 111.57 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.65 70.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.933 0.396 . . . . 0.13 111.324 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.513 HD11 HD13 ' A' 2119 ' ' ILE . 46.0 mt -74.53 -32.13 62.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.365 -0.38 . . . . 0.14 111.506 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.3 m -59.28 -29.07 67.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 0.24 109.208 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -79.32 -48.05 14.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.007 -0.997 . . . . 1.66 109.649 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.6 t60 -60.81 -51.56 68.78 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.834 -0.621 . . . . 0.35 111.31 -176.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2128 ' ' LEU . 27.0 mt -63.4 -32.08 73.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.04 -0.527 . . . . 1.13 111.178 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -69.54 -39.47 77.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.114 -0.698 . . . . 0.31 109.114 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 98.6 m -61.97 -42.84 99.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.666 -0.697 . . . . 0.36 110.503 175.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' 2131 ' ' HIS . 20.2 mmm180 -59.39 -50.76 72.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.799 0.333 . . . . 1.64 111.611 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.602 ' CD2' HD21 ' A' 2112 ' ' LEU . 31.9 mt -64.62 -25.18 67.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.675 0.62 . . . . 0.97 112.675 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 57.7 p -98.81 -16.74 18.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.029 0.442 . . . . 0.68 111.551 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.0 161.98 14.07 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.856 -0.611 . . . . 1.96 110.599 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 13.5 p -87.93 90.39 8.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.075 0.465 . . . . 3.1 111.038 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.749 -0.643 . . . . 6.9 110.145 176.248 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.014 -0.434 . . . . 6.15 112.014 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 36.2 t -134.38 136.33 43.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.872 0.367 . . . . 6.22 110.089 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.44 ' HD2' HD23 ' A' 2112 ' ' LEU . 75.7 m80 -91.69 157.43 16.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.009 -0.541 . . . . 3.33 110.559 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.599 ' C ' ' H ' ' A' 2051 ' ' LEU . 12.1 mtt -85.1 30.03 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.336 0.589 . . . . 2.18 110.849 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' 2052 ' ' ASN . 6.7 ttt180 -59.35 6.03 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.689 1.196 . . . . 9.04 112.611 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.599 ' H ' ' C ' ' A' 2049 ' ' MET . 25.3 mt -26.78 45.39 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.303 3.041 . . . . 2.25 118.792 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' 2050 ' ' ARG . 4.1 p-10 -55.78 146.32 21.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.999 0.818 . . . . 4.07 110.122 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.27 -25.63 15.4 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.372 -1.091 . . . . 1.88 110.372 -171.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.28 148.15 22.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.632 . . . . 1.6 109.295 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.9 t -68.73 141.0 92.19 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.485 -0.932 . . . . 1.18 108.485 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.626 ' O ' ' HG3' ' A' 2060 ' ' GLN . 63.6 Cg_exo -38.46 -47.11 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.439 2.759 . . . . 0.86 113.553 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.74 -35.68 78.81 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 123.169 0.293 . . . . 1.95 111.284 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.22 -42.3 93.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.944 0.402 . . . . 1.6 110.021 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.742 ' O ' ' HB ' ' A' 2062 ' ' THR . 38.4 mt-30 -63.83 -39.01 93.21 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.175 -0.466 . . . . 1.5 109.765 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.5 mt-30 -56.68 -53.12 61.37 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.95 -0.389 . . . . 0.95 109.95 175.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.711 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 78.2 mt-30 -51.86 -31.75 29.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 1.32 111.463 176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.742 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.7 m -56.18 -57.27 12.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.553 -0.749 . . . . 0.77 111.143 173.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' 2059 ' ' GLN . 1.4 mm? -65.51 -36.88 85.16 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.123 0.963 . . . . 1.32 109.162 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -59.06 -32.49 69.81 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 113.512 -1.676 . . . . 0.51 110.291 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 41.1 m -89.58 -43.72 10.58 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.256 -1.338 . . . . 0.41 110.532 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.544 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.4 tp -56.4 -60.04 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 1.35 110.836 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.462 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 62.6 t -54.47 -42.32 58.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.224 -1.353 . . . . 0.22 111.271 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.18 64.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.806 -0.634 . . . . 0.17 111.228 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.433 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -64.04 -27.85 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.307 0.575 . . . . 0.23 110.33 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.56 -47.18 79.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.384 -0.825 . . . . 0.24 110.125 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.796 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.2 t -86.24 -24.83 25.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.856 -0.738 . . . . 0.28 110.442 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -49.02 -51.56 30.21 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 165.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -62.73 -51.29 67.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.149 -0.932 . . . . 0.46 111.197 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.832 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.73 -42.0 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 113.566 0.95 . . . . 0.56 113.566 -175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.796 ' HG ' ' O ' ' A' 2071 ' ' THR . 17.4 mt -76.83 -28.47 55.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.939 -0.476 . . . . 0.74 110.715 -177.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 111.21 13.17 13.82 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.644 -0.789 . . . . 0.93 112.56 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 15.6 p80 -122.37 96.04 4.88 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 108.993 -0.743 . . . . 0.97 108.993 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -49.43 -35.59 19.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 115.158 1.54 . . . . 1.56 115.158 -162.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.5 t -88.45 145.21 35.07 Favored Pre-proline 0 C--N 1.323 -0.558 0 C-N-CA 118.655 -1.218 . . . . 1.82 112.371 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 2079 ' ' THR . 1.7 Cg_endo -85.37 -2.36 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 125.116 3.877 . . . . 0.51 112.014 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.19 -18.62 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 1.54 110.71 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 45.4 t -106.58 19.74 20.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.87 -0.605 . . . . 0.63 110.096 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.671 HD12 HG23 ' A' 2071 ' ' THR . 19.6 mm -98.4 112.58 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.137 -0.483 . . . . 0.25 110.408 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 38.4 m -82.94 113.1 43.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.278 -0.419 . . . . 0.28 110.157 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.508 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.8 Cg_endo -65.67 -28.5 52.29 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 122.454 2.102 . . . . 0.15 112.558 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.87 -30.46 45.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.14 111.491 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.493 ' O ' HG22 ' A' 2124 ' ' THR . 41.3 m -74.87 145.61 42.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.147 -0.686 . . . . 0.16 109.147 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.548 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.01 145.62 29.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.192 -0.913 . . . . 0.15 110.05 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 40.6 m-85 -48.98 -38.88 24.49 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.929 0.768 . . . . 0.12 111.936 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -47.59 -61.4 1.95 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.972 -0.558 . . . . 1.69 111.0 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.0 -17.15 64.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.526 -0.761 . . . . 2.27 111.804 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.35 -14.83 48.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.24 111.831 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 115.29 12.67 9.6 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.335 -0.936 . . . . 0.2 113.457 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.528 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -75.7 132.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 112.566 0.58 . . . . 0.32 112.566 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -107.97 -178.27 3.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.969 -0.752 . . . . 1.86 108.969 172.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 25.2 m -64.15 -38.02 89.54 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.824 -0.35 . . . . 1.32 111.1 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.4 tp -62.06 -55.46 28.82 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.406 0.682 . . . . 1.61 110.746 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.832 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.77 -25.99 63.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.639 -0.709 . . . . 0.19 112.827 -178.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.61 -23.8 64.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.833 0.825 . . . . 0.24 109.496 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.88 -36.59 14.97 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.786 -1.097 . . . . 1.15 108.853 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.5 mt-10 -67.51 -38.15 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.46 111.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' 2106 ' ' LEU . 10.7 mt -56.86 -65.18 0.66 Allowed 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.002 0.43 . . . . 1.13 111.034 174.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.2 OUTLIER -51.23 -34.39 32.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.89 -1.05 . . . . 2.11 110.55 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -57.71 -53.13 61.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.429 . . . . 0.4 110.606 175.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.3 m -64.78 -41.32 95.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.879 -0.6 . . . . 0.33 110.646 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' 2102 ' ' LEU . 6.7 mp -63.05 -53.78 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 1.47 111.387 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.525 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 4.8 t -65.21 -28.6 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.195 0.522 . . . . 0.67 110.295 -176.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.42 -45.68 65.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 1.29 110.303 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.62 -39.35 67.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.723 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 41.5 p -80.2 -22.05 42.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.295 0.569 . . . . 0.33 109.587 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 85.29 1.34 88.25 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.114 -0.948 . . . . 0.36 112.032 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.83 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -95.26 -159.22 0.7 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.166 0.507 . . . . 0.47 109.876 -177.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . 0.525 ' HA ' ' OG1' ' A' 2107 ' ' THR . 24.6 t70 -140.13 113.72 8.65 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.927 -1.033 . . . . 0.43 110.016 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.519 HD21 HD12 ' A' 2112 ' ' LEU . 2.9 mm? -116.6 151.26 46.89 Favored Pre-proline 0 C--N 1.302 -1.486 0 CA-C-N 113.808 -1.542 . . . . 1.25 110.557 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' 2118 ' ' LEU . 92.7 Cg_endo -72.03 157.44 54.45 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.411 2.741 . . . . 0.33 111.723 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.9 Cg_endo -75.3 -2.8 13.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.06 1.84 . . . . 0.46 111.281 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -97.5 4.69 50.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.5 -0.773 . . . . 0.36 110.856 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' 2115 ' ' PRO . 14.6 tp -43.69 -58.1 2.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.636 0.775 . . . . 0.79 112.723 177.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.593 HD13 HD11 ' A' 2128 ' ' LEU . 31.6 mm -55.64 -31.05 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.071 -0.968 . . . . 0.28 111.373 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -84.4 -29.97 25.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.891 -0.595 . . . . 0.38 111.439 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.88 -34.06 33.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.671 . . . . 1.34 111.232 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.58 79.77 28.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.345 -0.983 . . . . 0.43 108.345 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' 2124 ' ' THR . 36.1 Cg_endo -91.58 103.14 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.859 1.706 . . . . 0.25 112.642 -169.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.661 HG23 ' O ' ' A' 2123 ' ' PRO . 1.4 p 167.21 157.57 0.12 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.526 2.33 . . . . 0.13 105.419 160.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.432 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.7 Cg_exo -55.88 -38.7 94.2 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 CA-C-N 121.14 1.443 . . . . 0.14 110.163 172.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 76.9 t60 -68.31 -45.19 73.64 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.76 -0.654 . . . . 0.42 111.716 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.59 -36.48 66.96 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.194 0.521 . . . . 0.13 110.867 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.593 HD11 HD13 ' A' 2119 ' ' ILE . 42.3 mt -78.97 -30.97 44.77 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.022 -0.536 . . . . 0.14 111.384 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 51.5 m -57.53 -33.15 67.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.075 -0.713 . . . . 0.24 109.075 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 0.8 OUTLIER -79.41 -49.24 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.226 -0.897 . . . . 1.66 110.228 178.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.1 t60 -61.73 -54.83 37.25 Favored 'General case' 0 C--O 1.227 -0.109 0 N-CA-C 111.781 0.289 . . . . 0.35 111.781 -175.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.9 mm? -59.26 -35.58 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.279 -0.168 . . . . 1.13 111.216 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -65.56 -40.12 92.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.566 -0.531 . . . . 0.31 109.566 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.7 m -64.45 -48.04 76.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.553 -0.748 . . . . 0.36 110.264 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.59 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.9 mmm180 -52.45 -48.43 65.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 1.64 111.721 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.83 HD23 HD21 ' A' 2112 ' ' LEU . 72.3 mt -65.66 -26.67 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.566 0.58 . . . . 0.97 112.566 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 41.5 p -103.84 -20.49 13.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.189 0.44 . . . . 0.68 112.189 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -82.47 144.7 30.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.835 0.35 . . . . 1.96 110.829 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.33 106.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.792 -0.64 . . . . 3.1 111.733 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.469 -0.776 . . . . 6.9 110.256 -179.29 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.916 -0.473 . . . . 6.15 111.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 11.3 t -168.48 45.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 6.22 110.309 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -107.33 172.25 6.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.47 0.653 . . . . 3.33 111.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.521 ' C ' ' H ' ' A' 2051 ' ' LEU . 1.7 ttt -91.65 34.69 0.97 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.792 -1.094 . . . . 2.18 110.656 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' 2052 ' ' ASN . 3.7 ttt180 -46.53 4.96 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 126.397 1.879 . . . . 9.04 116.001 -177.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' 2049 ' ' MET . 19.5 mt -24.36 46.72 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 118.594 2.812 . . . . 2.25 118.594 -168.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' 2050 ' ' ARG . 27.9 p-10 -59.51 142.06 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.915 0.78 . . . . 4.07 110.536 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 107.71 -30.67 8.83 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.314 -0.715 . . . . 1.88 111.314 -176.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 3.0 mm? -92.0 138.76 31.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.994 -0.373 . . . . 1.6 109.994 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.2 m -67.01 153.84 93.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.758 -0.46 . . . . 1.18 109.758 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' 2060 ' ' GLN . 7.0 Cg_exo -38.18 -56.26 1.05 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.879 3.053 . . . . 0.86 113.987 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 5.8 tp-100 -62.87 -36.2 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.048 0.218 . . . . 1.95 110.922 -178.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.415 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 14.8 mm100 -61.64 -45.23 94.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.653 -0.499 . . . . 1.6 109.653 176.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.474 ' O ' ' HB ' ' A' 2062 ' ' THR . 49.0 mt-30 -61.1 -40.2 92.84 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.957 -0.565 . . . . 1.5 110.232 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' 2056 ' ' PRO . 44.5 mt-30 -61.58 -54.86 37.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 116.2 -0.454 . . . . 0.95 110.202 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 25.7 mt-30 -54.2 -36.85 63.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 1.32 111.459 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' 2059 ' ' GLN . 93.7 m -57.58 -52.69 64.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.76 -0.655 . . . . 0.77 111.246 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -78.71 -19.29 52.76 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.963 0.887 . . . . 1.32 109.567 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.05 -48.59 65.19 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.137 -1.392 . . . . 0.51 108.336 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 93.7 m -63.97 -35.91 82.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 113.978 -1.465 . . . . 0.41 110.506 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -59.68 4.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.894 -0.78 . . . . 1.35 108.894 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' 2063 ' ' LEU . 54.7 t -54.28 -44.9 67.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.795 -1.093 . . . . 0.22 110.92 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -63.48 -51.54 65.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.083 -0.962 . . . . 0.17 111.708 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.65 -29.75 70.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.008 0.432 . . . . 0.23 110.778 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.83 84.03 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.731 -0.668 . . . . 0.24 110.377 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.794 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.7 -24.98 23.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.078 -0.649 . . . . 0.28 110.347 -176.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -45.9 60.26 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.905 -0.776 . . . . 0.31 108.905 166.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.2 m -71.92 -48.55 44.67 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.247 -0.888 . . . . 0.46 111.186 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.729 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -60.01 -42.62 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.095 0.776 . . . . 0.56 113.095 -176.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' 2071 ' ' THR . 9.2 mt -77.61 -27.01 51.07 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.301 0.572 . . . . 0.74 109.793 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 97.86 44.19 2.71 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.344 -0.844 . . . . 0.93 112.932 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.59 -1.47 2.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.243 0.521 . . . . 0.97 112.246 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.522 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.3 m-70 67.5 -38.48 0.35 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.463 1.653 . . . . 1.56 115.463 168.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.5 p -79.09 123.06 85.02 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 113.482 0.919 . . . . 1.82 113.482 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.7 Cg_exo -83.75 -19.71 4.92 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.972 3.115 . . . . 0.51 110.91 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.29 -22.31 57.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.467 -0.788 . . . . 1.54 110.372 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.2 t -94.38 20.43 8.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.63 110.036 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.624 HD12 HG23 ' A' 2071 ' ' THR . 13.4 mm -99.35 119.58 47.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.322 -0.854 . . . . 0.25 109.795 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 6.5 m -85.64 109.1 19.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.298 -0.41 . . . . 0.28 110.403 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.462 ' O ' ' HB ' ' A' 2124 ' ' THR . 23.9 Cg_endo -65.9 -27.62 50.92 Favored 'Trans proline' 0 CA--C 1.515 -0.472 0 C-N-CA 122.519 2.146 . . . . 0.15 112.564 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -79.5 -29.95 41.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.686 -0.688 . . . . 0.14 111.008 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.482 ' O ' HG22 ' A' 2124 ' ' THR . 40.9 m -74.73 146.73 41.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.409 0.624 . . . . 0.16 109.722 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.59 143.89 29.83 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.007 -0.997 . . . . 0.15 109.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.519 ' HB3' HG13 ' A' 2094 ' ' ILE . 39.8 m-85 -49.59 -37.4 27.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.275 -0.875 . . . . 0.12 111.91 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.54 -64.7 0.7 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.141 -0.481 . . . . 1.69 110.883 172.011 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' 2087 ' ' THR . 8.0 m-20 -56.74 -30.47 63.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 2.27 111.422 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 2089 ' ' PHE . 80.8 mt -75.06 -16.07 60.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.782 -0.644 . . . . 0.24 111.973 -178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 116.69 8.03 12.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.342 -0.932 . . . . 0.2 113.441 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2119 ' ' ILE . 2.4 mm -69.8 132.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.816 0.673 . . . . 0.32 112.816 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -108.7 178.76 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.14 -0.936 . . . . 1.86 109.016 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 10.4 p -60.68 -43.09 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.137 0.494 . . . . 1.32 110.627 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' 2100 ' ' LEU . 12.8 tp -58.23 -52.63 64.78 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.279 -0.873 . . . . 1.61 111.366 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.729 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.33 -26.06 60.88 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 112.958 0.725 . . . . 0.19 112.958 -179.593 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.597 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.86 -21.56 63.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 0.24 109.325 171.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.1 OUTLIER -85.53 -48.48 8.9 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.347 -1.297 . . . . 1.15 108.469 177.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.569 ' N ' HD13 ' A' 2100 ' ' LEU . 22.9 mt-10 -56.98 -39.35 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.222 -0.899 . . . . 0.46 111.974 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' 2071 ' ' THR . 6.9 mt -56.81 -64.09 0.99 Allowed 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.144 0.497 . . . . 1.13 110.707 174.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.0 OUTLIER -48.55 -38.46 20.55 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.693 -1.14 . . . . 2.11 111.242 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -59.52 -38.94 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.309 . . . . 0.4 111.418 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.54 -39.16 28.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.155 0.503 . . . . 0.33 110.548 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' 2102 ' ' LEU . 6.2 mp -63.35 -56.05 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.539 -0.755 . . . . 1.47 111.423 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -64.36 -27.81 69.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.055 0.455 . . . . 0.67 110.115 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.5 t60 -67.98 -49.9 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.773 -0.649 . . . . 1.29 110.312 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.14 -42.57 84.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.011 -0.995 . . . . 0.4 112.502 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' 2049 ' ' MET . 41.5 p -78.66 -23.62 45.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.505 0.669 . . . . 0.33 109.777 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 83.58 7.65 85.88 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.999 -1.0 . . . . 0.36 112.099 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.796 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -97.31 -159.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.508 . . . . 0.47 109.761 -179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.96 121.51 14.16 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.16 -0.927 . . . . 0.43 109.36 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.417 HD13 HD11 ' A' 2118 ' ' LEU . 58.5 mt -133.67 161.01 66.31 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 114.966 -1.015 . . . . 1.25 111.359 -167.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' 2118 ' ' LEU . 62.7 Cg_endo -83.76 151.9 13.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.165 2.576 . . . . 0.33 111.899 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -71.98 -4.42 15.1 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.225 1.95 . . . . 0.46 111.5 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.9 p -93.21 1.97 56.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.36 111.728 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' 2115 ' ' PRO . 48.1 mt -41.22 -57.83 1.98 Allowed 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.959 0.885 . . . . 0.79 111.442 171.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.644 HG21 HG21 ' A' 2094 ' ' ILE . 9.5 mm -54.75 -27.43 18.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 113.163 -1.835 . . . . 0.28 111.495 -176.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -91.36 -33.56 15.23 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.002 -0.545 . . . . 0.38 111.664 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.89 -37.29 40.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.693 0.759 . . . . 1.34 110.743 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -132.71 77.93 67.92 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.992 -1.114 . . . . 0.43 107.992 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.746 ' O ' HG23 ' A' 2124 ' ' THR . 38.9 Cg_endo -91.14 103.23 0.26 Allowed 'Trans proline' 0 N--CA 1.436 -1.858 0 C-N-CA 121.575 1.517 . . . . 0.25 112.607 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.746 HG23 ' O ' ' A' 2123 ' ' PRO . 5.2 p 167.78 158.31 0.14 Allowed Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 128.181 2.592 . . . . 0.13 104.789 159.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.45 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 36.3 Cg_exo -55.45 -37.6 94.71 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 CA-C-N 121.31 1.504 . . . . 0.14 110.367 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.457 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 76.6 t60 -71.09 -40.31 71.62 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.858 -0.61 . . . . 0.42 111.957 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.37 77.79 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.249 0.547 . . . . 0.13 110.496 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.57 HD11 HD13 ' A' 2119 ' ' ILE . 44.3 mt -75.81 -29.04 58.56 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.078 -0.51 . . . . 0.14 111.291 176.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.478 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.1 m -60.4 -28.84 68.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.815 -0.809 . . . . 0.24 108.815 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -80.49 -48.55 12.64 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.102 -0.954 . . . . 1.66 110.296 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.402 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.5 t60 -60.99 -52.09 66.5 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.537 -0.301 . . . . 0.35 111.417 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.7 mm? -62.28 -33.48 74.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.128 -0.229 . . . . 1.13 111.442 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -70.44 -37.08 74.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.48 -0.563 . . . . 0.31 109.48 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 35.0 m -65.97 -44.84 83.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.819 -0.628 . . . . 0.36 110.802 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.71 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -57.22 -47.53 81.09 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.972 0.36 . . . . 1.64 111.972 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.796 HD23 HD21 ' A' 2112 ' ' LEU . 90.0 mt -70.53 -45.96 64.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.502 0.556 . . . . 0.97 112.502 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.1 p -81.75 -46.93 13.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.088 0.47 . . . . 0.68 111.464 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.1 116.4 28.67 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.32 -0.855 . . . . 1.96 109.604 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 11.8 m -95.82 140.0 31.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.559 -0.746 . . . . 3.1 111.153 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 69.6 m80 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.446 -0.788 . . . . 6.9 109.592 175.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.093 -0.403 . . . . 6.15 112.093 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 3.4 p -89.45 -21.09 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.791 0.329 . . . . 6.22 111.057 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.423 ' C ' ' H ' ' A' 2050 ' ' ARG . 13.2 m80 -70.92 164.33 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.27 0.557 . . . . 3.33 110.787 176.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.617 ' C ' ' H ' ' A' 2051 ' ' LEU . 7.3 ttt -78.91 37.57 0.31 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.254 -0.885 . . . . 2.18 111.587 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' 2048 ' ' HIS . 8.8 mtt180 -38.83 8.29 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 126.545 1.938 . . . . 9.04 116.177 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' 2051 ' ' LEU . 26.5 tp -48.82 39.9 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.737 2.015 . . . . 2.25 114.286 172.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -80.59 154.21 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.108 -0.995 . . . . 4.07 109.755 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.2 -30.69 8.05 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.056 -0.818 . . . . 1.88 111.056 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' 2054 ' ' LEU . 3.3 mm? -78.71 144.57 35.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.006 -0.738 . . . . 1.6 109.006 172.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 14.8 m -64.77 150.68 94.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.541 -0.54 . . . . 1.18 109.541 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.71 ' O ' ' HG3' ' A' 2060 ' ' GLN . 44.8 Cg_exo -40.89 -52.35 3.34 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.586 2.857 . . . . 0.86 113.913 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 25.8 tp60 -63.52 -38.35 90.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.819 -0.173 . . . . 1.95 111.417 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -61.48 -43.55 98.66 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.635 -0.505 . . . . 1.6 109.635 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.452 ' O ' ' HB ' ' A' 2062 ' ' THR . 52.9 mt-30 -63.77 -41.08 98.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.555 -0.748 . . . . 1.5 110.244 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -60.26 -59.24 5.72 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.342 -0.39 . . . . 0.95 110.379 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.514 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 93.0 mt-30 -52.96 -35.87 59.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.341 0.4 . . . . 1.32 111.508 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' 2059 ' ' GLN . 90.1 m -56.34 -54.41 45.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.825 -0.625 . . . . 0.77 111.305 172.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.2 pp -79.07 -19.34 51.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.911 0.862 . . . . 1.32 109.704 -175.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.13 -51.18 49.1 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.118 -1.401 . . . . 0.51 108.463 175.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.7 m -61.88 -33.88 75.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.828 -1.533 . . . . 0.41 110.522 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.476 HD11 ' CB ' ' A' 2109 ' ' ASN . 0.0 OUTLIER -59.98 -59.25 5.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.909 -0.774 . . . . 1.35 108.909 175.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.466 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -54.29 -43.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 0.22 110.783 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.577 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.93 70.21 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.81 -1.086 . . . . 0.17 111.4 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.504 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -59.97 -32.92 71.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.971 0.415 . . . . 0.23 110.76 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.46 ' O ' ' HB ' ' A' 2074 ' ' VAL . . . -61.54 -46.81 88.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.409 -0.814 . . . . 0.24 110.467 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.745 ' O ' ' HG ' ' A' 2075 ' ' LEU . 11.8 t -88.55 -24.17 22.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 119.843 -0.743 . . . . 0.28 110.916 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -53.91 -45.15 71.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.644 -0.873 . . . . 0.31 108.644 167.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 76.1 m -71.85 -48.41 46.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.419 -0.809 . . . . 0.46 111.074 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.7 OUTLIER -59.94 -42.27 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 113.26 0.837 . . . . 0.56 113.26 -175.064 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.9 mt -82.43 -12.36 57.91 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.087 0.47 . . . . 0.74 110.069 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 78.72 18.08 76.1 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.93 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.2 p80 -100.55 -14.39 18.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 0.97 110.911 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.465 ' C ' ' HB1' ' A' 2072 ' ' ALA . 99.2 m-70 63.04 -176.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.28 -0.873 . . . . 1.56 111.68 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 23.0 p 53.21 115.47 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 114.514 1.301 . . . . 1.82 114.514 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.504 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.3 Cg_exo -80.86 -12.51 12.07 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 124.455 3.437 . . . . 0.51 111.193 174.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.06 -21.68 33.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.163 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.6 t -90.8 21.99 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.63 109.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.577 HG13 ' HB1' ' A' 2068 ' ' ALA . 11.6 mm -103.26 118.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.25 110.091 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 23.6 m -85.49 111.94 40.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.625 -0.261 . . . . 0.28 110.428 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 31.7 Cg_endo -68.04 -26.12 37.39 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.573 2.182 . . . . 0.15 112.563 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.34 -30.84 48.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.723 -0.671 . . . . 0.14 111.416 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.492 ' O ' HG22 ' A' 2124 ' ' THR . 26.0 m -73.31 146.86 44.99 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.373 -0.602 . . . . 0.16 109.373 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.37 142.43 31.03 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 115.215 -0.902 . . . . 0.15 109.793 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.487 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.9 m-85 -46.88 -41.75 16.32 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 123.526 0.516 . . . . 0.12 112.17 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -49.51 -60.66 2.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.318 -0.401 . . . . 1.69 111.374 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.404 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.1 t70 -57.77 -31.87 66.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 2.27 110.963 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.6 mt -70.59 -19.63 62.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 0.24 112.301 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.55 3.56 10.21 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.239 -0.981 . . . . 0.2 113.143 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2119 ' ' ILE . 7.8 mm -70.25 129.87 34.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.053 0.454 . . . . 0.32 112.054 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -110.26 -178.23 3.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.932 -0.766 . . . . 1.86 108.932 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 53.3 p -61.89 -35.22 77.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.185 0.517 . . . . 1.32 111.156 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.739 ' O ' ' HB3' ' A' 2100 ' ' LEU . 61.3 mt -67.23 -50.97 58.66 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.509 -0.769 . . . . 1.61 110.391 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.634 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -74.0 -26.42 60.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 113.041 0.756 . . . . 0.19 113.041 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.52 -20.82 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.077 0.942 . . . . 0.24 109.376 170.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.739 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -84.48 -50.26 7.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.186 -1.37 . . . . 1.15 108.55 177.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.518 ' N ' HD13 ' A' 2100 ' ' LEU . 18.0 mt-10 -56.11 -42.53 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.46 111.997 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' 2106 ' ' LEU . 9.4 mt -56.83 -61.39 2.47 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.266 0.555 . . . . 1.13 110.722 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.1 tmt_? -47.94 -42.91 28.59 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.395 -1.275 . . . . 2.11 111.216 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -58.46 -47.5 83.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.4 111.196 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 19.4 m -70.39 -42.06 72.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 0.33 111.277 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 2102 ' ' LEU . 61.6 mt -68.97 -46.73 67.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.329 . . . . 1.47 111.36 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.3 t -66.88 -27.68 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.345 0.593 . . . . 0.67 109.873 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.9 t60 -68.96 -48.14 63.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.523 -0.762 . . . . 1.29 110.405 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.476 ' CB ' HD11 ' A' 2066 ' ' LEU . 7.8 m-80 -68.97 -39.35 79.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.004 . . . . 0.4 112.798 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.553 ' HA ' ' HB2' ' A' 2049 ' ' MET . 40.8 p -81.12 -22.58 38.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.681 . . . . 0.33 109.971 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.48 10.73 84.11 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.077 -0.965 . . . . 0.36 112.237 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.699 HD21 HD23 ' A' 2136 ' ' LEU . 0.3 OUTLIER -97.15 -159.06 0.71 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.134 0.493 . . . . 0.47 109.882 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -138.29 116.84 12.1 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.147 -0.933 . . . . 0.43 109.904 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.91 151.89 76.43 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 114.297 -1.319 . . . . 1.25 111.609 -170.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.575 ' O ' ' HG3' ' A' 2103 ' ' ARG . 77.4 Cg_endo -79.06 152.49 24.47 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 123.591 2.861 . . . . 0.33 112.317 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.7 1.38 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.47 2.113 . . . . 0.46 111.695 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -100.7 3.14 42.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.549 . . . . 0.36 111.765 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 2115 ' ' PRO . 33.7 mt -39.66 -63.91 0.53 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 0.79 112.174 172.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.615 HG21 HG21 ' A' 2094 ' ' ILE . 10.9 mm -56.9 -25.68 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.564 -174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -84.45 -31.94 24.32 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.808 0.337 . . . . 0.38 111.683 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -89.33 -39.1 13.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.198 0.523 . . . . 1.34 111.024 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -123.83 71.26 50.61 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.586 -0.894 . . . . 0.43 108.586 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.728 ' O ' HG23 ' A' 2124 ' ' THR . 10.7 Cg_endo -91.58 104.09 0.24 Allowed 'Trans proline' 0 N--CA 1.441 -1.585 0 C-N-CA 122.134 1.89 . . . . 0.25 112.619 -172.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.728 HG23 ' O ' ' A' 2123 ' ' PRO . 2.7 p 167.63 155.89 0.13 Allowed Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 127.706 2.403 . . . . 0.13 104.896 160.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 41.6 Cg_exo -54.97 -39.52 90.35 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 CA-C-N 121.475 1.562 . . . . 0.14 109.908 171.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' 2130 ' ' GLN . 38.4 t60 -62.92 -48.49 78.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.561 -0.745 . . . . 0.42 111.726 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.73 73.98 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.86 0.362 . . . . 0.13 111.193 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.437 HD12 ' CE2' ' A' 2089 ' ' PHE . 48.7 mt -74.32 -30.23 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.475 -0.329 . . . . 0.14 111.477 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.431 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 57.8 m -59.78 -28.8 67.72 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.743 0.782 . . . . 0.24 109.162 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.6 mt-30 -80.63 -47.0 14.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.955 . . . . 1.66 110.106 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.24 -52.79 63.3 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.382 -0.372 . . . . 0.35 111.673 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.9 mm? -63.85 -32.12 73.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.575 0.226 . . . . 1.13 111.143 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -70.45 -38.13 74.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.556 -0.535 . . . . 0.31 109.556 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.581 ' O ' ' HG2' ' A' 2138 ' ' GLN . 27.7 m -65.4 -50.31 65.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.881 -0.599 . . . . 0.36 110.457 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.676 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.2 mmm180 -47.54 -53.17 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.699 HD23 HD21 ' A' 2112 ' ' LEU . 67.1 mt -66.5 -39.91 88.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.009 -0.541 . . . . 0.97 112.304 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.7 p -81.65 -37.6 27.24 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.68 112.215 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' 2134 ' ' THR . 25.3 pt20 -79.6 132.35 36.24 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.183 0.516 . . . . 1.96 110.108 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 13.7 m -94.54 68.89 3.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.382 0.611 . . . . 3.1 110.581 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.518 -0.764 . . . . 6.9 109.98 -178.539 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.109 -0.396 . . . . 6.15 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 34.3 p -94.62 -13.47 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.967 0.413 . . . . 6.22 111.335 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.24 160.33 14.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.412 0.625 . . . . 3.33 110.687 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.627 ' HB2' ' HA ' ' A' 2110 ' ' THR . 18.4 ttt -82.86 36.63 0.5 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.893 -1.049 . . . . 2.18 111.033 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -46.25 8.92 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.446 1.498 . . . . 9.04 114.909 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.563 ' H ' ' C ' ' A' 2049 ' ' MET . 14.1 tp -28.51 -25.57 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.599 1.56 . . . . 2.25 114.161 165.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.571 ' HA ' ' CD ' ' A' 2059 ' ' GLN . 30.1 p30 -49.91 152.26 1.63 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.5 0.667 . . . . 4.07 111.668 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 113.12 -30.89 7.06 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.183 -0.767 . . . . 1.88 111.183 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 3.8 mm? -70.44 160.58 32.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.96 -0.756 . . . . 1.6 108.96 166.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.9 p -65.22 147.76 98.36 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.912 -0.773 . . . . 1.18 108.912 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.739 ' O ' ' HG3' ' A' 2060 ' ' GLN . 38.5 Cg_exo -38.65 -57.78 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.569 2.846 . . . . 0.86 114.056 -173.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.74 -39.18 87.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.894 0.331 . . . . 1.95 111.894 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 15.3 mm100 -58.73 -41.3 86.1 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.277 0.56 . . . . 1.6 109.913 176.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.571 ' CD ' ' HA ' ' A' 2052 ' ' ASN . 23.1 mt-30 -67.99 -44.67 76.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.595 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.739 ' HG3' ' O ' ' A' 2056 ' ' PRO . 19.6 mt-30 -59.31 -60.41 3.9 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.114 -0.494 . . . . 0.95 111.132 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.503 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 98.3 mt-30 -50.26 -37.19 34.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.025 0.44 . . . . 1.32 111.688 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' 2059 ' ' GLN . 87.0 m -55.96 -54.6 42.78 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.499 -0.773 . . . . 0.77 111.483 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.17 -19.9 46.05 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.905 0.859 . . . . 1.32 109.625 -176.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.82 -48.35 69.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.98 -1.464 . . . . 0.51 108.488 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 40.2 m -65.85 -34.75 78.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.311 -1.313 . . . . 0.41 110.942 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -57.94 10.47 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.063 -0.717 . . . . 1.35 109.063 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.25 -43.77 77.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.038 -0.983 . . . . 0.22 111.149 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.507 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.58 -47.6 75.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.175 -0.92 . . . . 0.17 111.446 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.448 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.62 -29.84 70.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.042 0.448 . . . . 0.23 110.745 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.27 80.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.54 -0.755 . . . . 0.24 110.241 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.809 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.9 t -85.53 -26.36 26.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 119.899 -0.721 . . . . 0.28 110.541 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.63 -46.84 58.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.167 -0.679 . . . . 0.31 109.167 166.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 91.4 m -70.79 -47.85 57.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.544 -0.753 . . . . 0.46 110.988 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.08 -42.23 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.086 0.773 . . . . 0.56 113.086 -176.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.809 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.3 mt -80.3 -21.09 42.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.21 0.528 . . . . 0.74 109.998 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 90.95 36.55 6.68 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.478 -0.783 . . . . 0.93 113.332 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 8.2 p80 -123.37 -9.53 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 0.97 111.061 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 90.0 m-70 71.65 -31.88 0.23 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.804 1.409 . . . . 1.56 114.804 166.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.2 p -81.15 124.32 81.05 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.27 0.841 . . . . 1.82 113.27 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' 2079 ' ' THR . 4.4 Cg_exo -85.86 -10.76 7.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.963 3.109 . . . . 0.51 110.544 173.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.65 -18.81 43.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.109 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.8 t -97.61 21.79 9.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.234 0.54 . . . . 0.63 110.413 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 HG23 ' A' 2071 ' ' THR . 13.9 mm -104.2 114.51 43.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.819 -0.628 . . . . 0.25 110.723 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.5 m -83.12 113.5 46.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.28 110.341 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.47 ' O ' ' HB ' ' A' 2124 ' ' THR . 26.5 Cg_endo -68.04 -26.39 37.11 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.4 2.066 . . . . 0.15 112.305 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.78 55.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.596 -0.729 . . . . 0.14 111.4 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.488 ' O ' HG22 ' A' 2124 ' ' THR . 26.7 m -76.31 145.6 39.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.357 0.598 . . . . 0.16 109.44 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.76 141.46 33.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.201 -0.909 . . . . 0.15 109.595 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.512 ' HB3' HG13 ' A' 2094 ' ' ILE . 43.8 m-85 -45.19 -42.76 9.51 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.691 0.619 . . . . 0.12 111.498 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.03 -64.16 0.68 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.316 -0.857 . . . . 1.69 111.746 174.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.451 ' HB3' ' CG2' ' A' 2087 ' ' THR . 17.5 t70 -60.94 -30.99 70.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 2.27 111.105 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' 2089 ' ' PHE . 86.2 mt -70.9 -12.86 61.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 0.24 112.41 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 110.88 14.56 12.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.245 -0.979 . . . . 0.2 112.683 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2119 ' ' ILE . 5.0 mm -79.83 118.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.202 0.525 . . . . 0.32 112.0 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -89.93 178.26 6.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.468 -0.787 . . . . 1.86 108.948 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 28.6 m -68.44 -30.52 69.41 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 118.231 0.469 . . . . 1.32 110.817 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' 2100 ' ' LEU . 69.7 mt -71.87 -48.89 42.68 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.245 0.545 . . . . 1.61 110.192 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.7 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -73.01 -27.35 61.73 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 112.963 0.727 . . . . 0.19 112.963 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.409 ' CA ' HG13 ' A' 2119 ' ' ILE . . . -59.78 -25.08 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.504 -0.925 . . . . 0.24 108.504 168.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.769 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 4.0 tp -86.92 -41.32 14.05 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 114.343 -1.299 . . . . 1.15 109.667 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.2 mt-10 -60.76 -35.58 76.78 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.874 -0.603 . . . . 0.46 110.582 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' 2071 ' ' THR . 7.9 mt -58.54 -70.7 0.13 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.345 0.498 . . . . 1.13 112.345 174.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.784 ' HB2' HD12 ' A' 2118 ' ' LEU . 0.0 OUTLIER -57.09 -26.21 60.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.903 -0.319 . . . . 2.11 111.027 -176.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -60.15 -56.74 17.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.08 0.466 . . . . 0.4 110.186 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 30.6 m -62.87 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.576 -0.738 . . . . 0.33 110.938 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.8 mp -61.51 -58.19 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.726 -0.67 . . . . 1.47 111.731 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 3.2 t -63.98 -28.05 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.67 110.294 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -66.43 -52.35 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.385 0.612 . . . . 1.29 110.442 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -66.96 -39.26 87.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.4 112.664 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.627 ' HA ' ' HB2' ' A' 2049 ' ' MET . 54.6 p -77.96 -23.87 48.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.648 0.737 . . . . 0.33 110.061 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 78.01 5.13 86.8 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.001 -1.0 . . . . 0.36 111.181 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.811 HD21 HD23 ' A' 2136 ' ' LEU . 11.2 mt -85.16 -168.5 2.24 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.647 -0.776 . . . . 0.47 110.337 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -136.92 122.3 19.43 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.605 -1.18 . . . . 0.43 108.811 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.588 HD13 HD11 ' A' 2118 ' ' LEU . 64.7 mt -130.14 159.53 69.87 Favored Pre-proline 0 C--N 1.305 -1.357 0 CA-C-N 114.916 -1.038 . . . . 1.25 111.3 -168.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' 2114 ' ' LEU . 95.8 Cg_endo -77.87 151.51 27.86 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.648 2.232 . . . . 0.33 111.06 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.621 ' HB2' ' NH2' ' A' 2103 ' ' ARG . 87.9 Cg_endo -81.14 13.86 2.26 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.657 1.572 . . . . 0.46 110.866 175.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.4 p -106.92 2.23 25.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.281 -0.872 . . . . 0.36 111.619 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' 2103 ' ' ARG . 15.3 mt -38.79 -67.09 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.344 0.868 . . . . 0.79 113.344 175.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.647 HG21 HG21 ' A' 2094 ' ' ILE . 12.5 mm -58.61 -21.35 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.202 -0.908 . . . . 0.28 111.605 -174.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.92 -38.83 16.33 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.301 -0.408 . . . . 0.38 111.642 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.5 -37.59 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.364 0.602 . . . . 1.34 111.175 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.515 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 57.3 m-70 -127.52 74.37 77.88 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.43 108.692 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.765 ' O ' HG23 ' A' 2124 ' ' THR . 18.5 Cg_endo -91.91 101.97 0.21 Allowed 'Trans proline' 0 N--CA 1.434 -2.027 0 C-N-CA 121.922 1.748 . . . . 0.25 111.774 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.765 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p 169.05 154.34 0.16 Allowed Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 127.808 2.443 . . . . 0.13 104.749 163.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.72 -38.06 94.78 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 CA-C-N 121.087 1.424 . . . . 0.14 110.033 171.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.516 ' O ' ' HG3' ' A' 2130 ' ' GLN . 57.4 t60 -64.66 -47.11 79.65 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.42 111.966 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.01 -40.85 70.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.023 0.439 . . . . 0.13 111.228 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.517 HD11 HD13 ' A' 2119 ' ' ILE . 46.7 mt -76.16 -30.33 58.07 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.317 -0.401 . . . . 0.14 111.452 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.4 m -59.92 -26.2 65.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.663 0.744 . . . . 0.24 109.206 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.0 mt-30 -80.24 -47.05 15.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.838 . . . . 1.66 110.068 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -65.98 -51.92 54.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.348 -0.387 . . . . 0.35 111.831 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.486 HD11 HD11 ' A' 2114 ' ' LEU . 2.3 mm? -62.57 -32.59 73.59 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.173 -0.211 . . . . 1.13 111.084 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -66.66 -39.62 88.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.249 -0.649 . . . . 0.31 109.249 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 41.4 m -67.27 -40.57 86.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.632 -0.713 . . . . 0.36 110.765 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' 2112 ' ' LEU . 7.2 mmm180 -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.61 0.243 . . . . 1.64 111.304 -175.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.811 HD23 HD21 ' A' 2112 ' ' LEU . 95.8 mt -79.76 -11.76 59.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.97 111.831 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 60.8 p -101.88 -28.33 12.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.517 . . . . 0.68 110.674 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -100.85 108.66 20.5 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.769 -0.65 . . . . 1.96 110.465 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 32.1 t -133.64 29.42 3.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.491 0.662 . . . . 3.1 110.991 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.354 -0.839 . . . . 6.9 109.465 177.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.913 -0.475 . . . . 6.15 111.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' 2051 ' ' LEU . 19.6 m -104.93 -57.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.616 0.208 . . . . 6.22 111.156 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 -74.71 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.411 0.522 . . . . 3.33 112.411 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.74 -78.27 0.4 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.396 0.887 . . . . 2.18 113.396 -166.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -106.64 0.39 24.36 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.014 . . . . 9.04 111.614 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.651 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 15.3 mt -92.51 27.14 2.38 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.598 0.592 . . . . 2.25 112.598 -161.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -90.82 109.4 20.61 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.553 -0.459 . . . . 4.07 110.473 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 101.84 -17.77 53.95 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.838 -0.696 . . . . 1.88 113.145 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 65.1 mt -90.63 145.48 24.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 1.6 111.052 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 7.3 t -70.02 147.15 95.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.792 -0.64 . . . . 1.18 109.349 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' 2060 ' ' GLN . 66.1 Cg_exo -37.2 -48.85 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.867 3.045 . . . . 0.86 114.066 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.85 -40.68 95.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 1.95 111.134 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.38 -42.39 96.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.29 -0.633 . . . . 1.6 109.29 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.651 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 90.0 mt-30 -54.61 -43.12 71.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.803 -1.09 . . . . 1.5 110.656 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' 2056 ' ' PRO . 18.3 mt-30 -59.25 -60.81 3.26 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 115.779 -0.646 . . . . 0.95 110.245 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 41.8 mt-30 -52.61 -36.44 56.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 1.32 111.704 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.8 m -53.02 -57.11 11.48 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.432 -0.804 . . . . 0.77 111.581 171.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.7 pp -80.63 -18.39 48.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.917 0.865 . . . . 1.32 109.458 -174.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.66 -45.76 81.73 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.917 -1.492 . . . . 0.51 108.511 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -65.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.206 -1.361 . . . . 0.41 110.409 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -55.61 27.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.985 -0.746 . . . . 1.35 108.985 173.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 2063 ' ' LEU . 75.1 t -52.45 -49.25 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.39 -0.823 . . . . 0.22 110.63 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.54 -49.8 76.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.537 -1.21 . . . . 0.17 111.827 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.83 -32.14 72.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.091 0.472 . . . . 0.23 110.895 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.76 85.86 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.614 -0.721 . . . . 0.24 110.346 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.816 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.1 t -86.17 -26.24 25.25 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.178 -0.609 . . . . 0.28 110.422 -176.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.531 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.38 -44.26 54.81 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.187 -0.672 . . . . 0.31 109.187 167.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 81.8 m -71.55 -49.21 42.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.428 -0.805 . . . . 0.46 110.892 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.727 HG22 HG22 ' A' 2098 ' ' THR . 0.9 OUTLIER -59.38 -42.35 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 113.189 0.811 . . . . 0.56 113.189 -176.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.816 ' HG ' ' O ' ' A' 2071 ' ' THR . 6.0 mt -79.22 -24.54 43.04 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.377 0.608 . . . . 0.74 109.935 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.47 55.42 1.45 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.35 -0.841 . . . . 0.93 112.864 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.47 -5.0 0.44 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.328 0.492 . . . . 0.97 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.531 ' C ' ' HB1' ' A' 2072 ' ' ALA . 76.4 m-70 68.48 -34.0 0.25 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.311 1.597 . . . . 1.56 115.311 169.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 10.8 p -80.16 123.67 83.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.502 0.927 . . . . 1.82 113.502 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' 2079 ' ' THR . 5.4 Cg_exo -83.62 -15.76 7.12 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.807 3.005 . . . . 0.51 111.156 174.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.56 -19.71 45.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.735 -0.666 . . . . 1.54 110.663 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 20.4 t -93.87 22.07 6.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.63 109.935 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.639 HD12 HG23 ' A' 2071 ' ' THR . 11.4 mm -105.14 111.71 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.561 -0.745 . . . . 0.25 110.422 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 112.23 34.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.546 -0.297 . . . . 0.28 110.558 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.527 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.21 -28.9 39.9 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 C-N-CA 122.55 2.167 . . . . 0.15 112.62 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.32 55.73 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.64 -0.709 . . . . 0.14 111.076 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 47.7 m -82.2 148.68 28.31 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.535 0.683 . . . . 0.16 109.285 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.586 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.56 142.17 32.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.797 -1.092 . . . . 0.15 109.583 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.528 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -49.1 -35.71 16.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.205 -0.907 . . . . 0.12 112.007 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.622 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -50.41 -64.8 0.7 Allowed 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 123.556 0.535 . . . . 1.69 110.574 174.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' 2087 ' ' THR . 14.8 t70 -55.58 -31.86 62.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 2.27 111.009 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' 2089 ' ' PHE . 79.3 mt -72.34 -18.11 61.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.807 -0.633 . . . . 0.24 112.048 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.84 9.23 7.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.397 -0.906 . . . . 0.2 113.708 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2119 ' ' ILE . 2.9 mm -76.27 129.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.249 0.547 . . . . 0.32 112.329 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.48 179.63 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.601 -0.727 . . . . 1.86 109.191 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 50.0 m -59.93 -34.02 72.67 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.357 0.526 . . . . 1.32 111.253 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.731 ' O ' ' HB3' ' A' 2100 ' ' LEU . 0.0 OUTLIER -64.0 -62.87 1.35 Allowed 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.628 0.771 . . . . 1.61 109.722 178.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.727 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -64.05 -26.73 68.69 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 113.976 1.102 . . . . 0.19 113.976 179.139 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.546 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -61.45 -20.4 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.007 0.908 . . . . 0.24 109.58 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.731 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.2 OUTLIER -87.74 -48.29 7.98 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.275 -1.329 . . . . 1.15 108.595 177.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.532 ' N ' HD13 ' A' 2100 ' ' LEU . 24.6 mt-10 -56.52 -37.2 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.193 -0.912 . . . . 0.46 111.803 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' 2071 ' ' THR . 4.3 mt -57.94 -61.74 2.32 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.458 -0.337 . . . . 1.13 111.178 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.1 tmt_? -47.99 -44.88 30.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.254 -0.885 . . . . 2.11 110.912 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.4 111.84 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.9 m -80.3 -43.45 21.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.926 0.393 . . . . 0.33 110.911 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.89 -46.87 73.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.116 -0.493 . . . . 1.47 111.864 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 2.0 t -67.3 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.397 0.618 . . . . 0.67 109.872 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.2 t60 -70.58 -48.96 52.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.576 -0.738 . . . . 1.29 110.173 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -65.8 -45.08 83.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.083 -0.962 . . . . 0.4 112.6 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.665 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.5 p -75.32 -25.94 58.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.28 0.562 . . . . 0.33 109.761 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.56 0.85 83.92 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.105 -0.952 . . . . 0.36 111.934 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.921 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -98.58 -160.35 0.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.455 -0.572 . . . . 0.47 109.455 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . 0.496 ' HA ' ' OG1' ' A' 2107 ' ' THR . 21.0 t70 -136.41 117.72 14.61 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.495 -0.775 . . . . 0.43 110.175 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -119.09 157.54 50.5 Favored Pre-proline 0 C--N 1.304 -1.393 0 CA-C-N 114.104 -1.407 . . . . 1.25 110.076 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.478 ' O ' ' HG ' ' A' 2118 ' ' LEU . 83.5 Cg_endo -77.08 148.39 27.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.849 2.366 . . . . 0.33 111.854 174.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.73 -11.45 30.74 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.435 2.09 . . . . 0.46 111.153 174.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -91.98 6.23 47.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.477 -0.783 . . . . 0.36 111.93 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 2115 ' ' PRO . 13.2 mt -37.72 -63.69 0.44 Allowed 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 121.598 0.713 . . . . 0.79 112.353 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.665 HG21 HG21 ' A' 2094 ' ' ILE . 6.4 mm -57.57 -24.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.113 -1.403 . . . . 0.28 111.792 -175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -90.07 -29.52 18.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.38 111.328 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.51 -32.02 20.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.724 -0.671 . . . . 1.34 110.881 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.4 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 74.3 m-70 -140.77 79.8 18.73 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 108.609 -0.886 . . . . 0.43 108.609 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.95 103.39 0.22 Allowed 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 121.864 1.71 . . . . 0.25 113.153 -172.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.75 HG23 ' O ' ' A' 2123 ' ' PRO . 4.8 p 167.87 157.23 0.14 Allowed Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 128.126 2.571 . . . . 0.13 104.766 160.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.454 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.1 -37.22 96.71 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 CA-C-N 121.528 1.581 . . . . 0.14 110.132 170.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.527 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 46.0 t60 -64.49 -48.95 73.27 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.789 -0.642 . . . . 0.42 111.395 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.33 -40.57 71.34 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.041 0.448 . . . . 0.13 110.961 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.537 HD11 HD13 ' A' 2119 ' ' ILE . 41.3 mt -75.14 -35.91 61.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.215 -0.448 . . . . 0.14 111.645 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 99.4 m -59.22 -30.93 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.648 0.737 . . . . 0.24 109.468 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' 2126 ' ' HIS . 6.6 mm100 -78.87 -42.06 28.31 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.117 -0.947 . . . . 1.66 110.878 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.444 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.0 t60 -71.06 -52.05 21.69 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.35 110.814 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' 2063 ' ' LEU . 25.7 mt -63.93 -27.94 69.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 1.13 111.721 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.439 ' HB2' HD21 ' A' 2063 ' ' LEU . 16.1 t-80 -66.94 -42.83 84.62 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.894 -0.78 . . . . 0.31 108.894 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' 2138 ' ' GLN . 30.9 m -62.25 -46.97 86.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.533 -0.758 . . . . 0.36 109.934 176.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' 2112 ' ' LEU . 14.1 mmm180 -57.68 -48.75 78.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.631 . . . . 1.64 112.412 -178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.921 HD23 HD21 ' A' 2112 ' ' LEU . 89.4 mt -65.49 -22.81 66.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.755 0.65 . . . . 0.97 112.755 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' A' 2047 ' ' SER . 58.1 p -103.51 -31.11 10.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.649 0.611 . . . . 0.68 112.649 -172.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' 2134 ' ' THR . 24.4 mm-40 -70.16 109.37 4.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.522 0.677 . . . . 1.96 111.113 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 2.6 p -133.51 117.63 17.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.057 -0.974 . . . . 3.1 109.924 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.182 -0.913 . . . . 6.9 110.007 -178.054 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.769 -0.532 . . . . 6.15 111.769 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 12.6 m -73.55 -35.86 65.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.503 . . . . 6.22 110.457 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.426 ' HA ' ' HA3' ' A' 2111 ' ' GLY . 25.8 m80 -88.8 168.15 12.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 3.33 110.296 175.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.58 ' HB2' ' HA ' ' A' 2110 ' ' THR . 10.5 ttt -81.32 37.47 0.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.072 -0.967 . . . . 2.18 111.565 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -42.93 9.1 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.029 1.862 . . . . 9.04 116.029 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 2051 ' ' LEU . 30.2 tp -42.74 41.1 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 126.846 2.058 . . . . 2.25 114.927 169.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.04 151.5 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.106 -0.996 . . . . 4.07 110.162 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.23 -30.62 7.81 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.095 -0.574 . . . . 1.88 112.05 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.89 155.52 38.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.132 -0.322 . . . . 1.6 110.132 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 16.6 m -60.1 140.34 90.83 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.887 -0.597 . . . . 1.18 109.417 172.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.689 ' O ' ' HG3' ' A' 2060 ' ' GLN . 85.3 Cg_exo -40.06 -50.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.28 2.654 . . . . 0.86 112.873 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 50.6 tt0 -62.96 -38.96 93.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.95 111.441 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.98 -43.86 98.22 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.181 0.515 . . . . 1.6 109.622 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.855 . . . . 1.5 110.089 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.689 ' HG3' ' O ' ' A' 2056 ' ' PRO . 46.5 mt-30 -61.0 -59.15 5.82 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 116.071 -0.513 . . . . 0.95 110.263 177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.52 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 92.1 mt-30 -50.92 -35.37 32.78 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.305 0.378 . . . . 1.32 111.601 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.455 HG21 HD22 ' A' 2051 ' ' LEU . 86.6 m -58.22 -55.41 35.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.788 -0.642 . . . . 0.77 111.296 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.3 pp -77.79 -19.04 55.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.015 0.912 . . . . 1.32 109.519 -176.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.06 -48.86 64.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.989 -1.46 . . . . 0.51 108.329 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 99.4 m -62.48 -35.07 78.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 113.871 -1.513 . . . . 0.41 110.304 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -58.13 -61.91 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.644 -0.872 . . . . 1.35 108.644 175.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 2063 ' ' LEU . 62.2 t -53.64 -45.89 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.779 -1.1 . . . . 0.22 111.087 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -66.13 -46.52 77.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.344 -0.844 . . . . 0.17 111.797 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -65.01 -30.76 71.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.23 110.509 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.05 88.98 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.24 110.257 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.819 HG23 HD12 ' A' 2083 ' ' ILE . 9.9 t -85.87 -23.63 27.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.291 -0.564 . . . . 0.28 110.383 -177.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -52.83 -46.05 67.6 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.199 -0.667 . . . . 0.31 109.199 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.0 m -65.32 -50.18 66.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.686 -1.143 . . . . 0.46 110.675 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.85 HG22 HG22 ' A' 2098 ' ' THR . 1.2 t -62.65 -44.49 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.067 -0.97 . . . . 0.56 113.25 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.9 mt -75.82 -29.95 58.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.759 0.314 . . . . 0.74 110.591 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 113.29 49.11 0.57 Allowed Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.322 -0.942 . . . . 0.93 113.944 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.3 -10.23 0.74 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.66 0.615 . . . . 0.97 112.66 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 89.5 m-70 71.05 -49.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.232 0.827 . . . . 1.56 113.232 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 4.4 t -89.5 144.03 31.48 Favored Pre-proline 0 C--O 1.241 0.638 0 CA-C-O 121.957 0.885 . . . . 1.82 112.115 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.494 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 1.5 Cg_endo -86.36 2.61 7.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 125.326 4.017 . . . . 0.51 111.43 -178.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -74.07 -4.45 35.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.374 -0.83 . . . . 1.54 110.581 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 44.8 t -118.73 18.74 13.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.348 -0.842 . . . . 0.63 110.034 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.819 HD12 HG23 ' A' 2071 ' ' THR . 14.3 mm -102.22 103.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.783 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 15.9 m -79.87 115.72 56.03 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.148 -0.478 . . . . 0.28 109.883 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.499 ' O ' ' HB ' ' A' 2124 ' ' THR . 18.9 Cg_endo -65.43 -28.78 54.03 Favored 'Trans proline' 0 CA--C 1.513 -0.571 0 C-N-CA 122.596 2.197 . . . . 0.15 112.494 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.28 53.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.718 -0.674 . . . . 0.14 111.113 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.445 ' O ' HG22 ' A' 2124 ' ' THR . 31.2 m -74.08 145.64 44.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.05 -0.722 . . . . 0.16 109.05 174.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -87.01 145.65 26.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.159 -0.928 . . . . 0.15 110.213 -177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 44.2 m-85 -44.3 -40.43 5.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.135 -0.938 . . . . 0.12 111.204 175.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -45.35 -67.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 1.69 111.726 172.789 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.9 -27.67 66.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 2.27 111.66 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.51 -15.03 58.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.981 -0.554 . . . . 0.24 112.04 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.34 17.16 5.8 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.196 -1.002 . . . . 0.2 113.903 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2119 ' ' ILE . 0.5 OUTLIER -77.37 133.74 30.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 117.222 0.511 . . . . 0.32 112.092 178.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -110.34 179.99 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.722 -0.672 . . . . 1.86 109.3 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 57.5 p -63.22 -33.31 75.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.356 0.598 . . . . 1.32 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' 2100 ' ' LEU . 50.6 mt -69.08 -48.45 62.64 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.081 -0.963 . . . . 1.61 110.47 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.85 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -75.08 -26.46 59.36 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.32 -0.854 . . . . 0.19 112.98 178.114 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.573 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.21 -21.04 58.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 122.061 0.934 . . . . 0.24 109.423 171.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.734 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.4 OUTLIER -84.42 -49.84 8.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.104 -1.407 . . . . 1.15 108.507 178.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.492 ' N ' HD13 ' A' 2100 ' ' LEU . 25.7 mt-10 -55.23 -43.14 74.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.808 -1.087 . . . . 0.46 112.082 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' 2071 ' ' THR . 5.8 mt -53.77 -67.17 0.28 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.88 0.371 . . . . 1.13 111.811 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.1 OUTLIER -50.53 -34.11 24.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.236 -0.893 . . . . 2.11 110.732 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' 2103 ' ' ARG . 36.2 m-20 -59.59 -52.15 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.4 111.151 175.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.5 m -66.21 -39.09 89.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.98 0.419 . . . . 0.33 110.776 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' 2102 ' ' LEU . 6.9 mp -64.65 -54.22 35.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.896 -0.593 . . . . 1.47 111.558 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 4.9 t -64.9 -28.12 69.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.67 110.161 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 63.8 t60 -66.29 -53.18 39.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.518 -0.764 . . . . 1.29 110.215 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.8 -44.3 86.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.922 -1.036 . . . . 0.4 112.736 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' A' 2049 ' ' MET . 54.7 p -76.18 -24.45 54.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.768 0.794 . . . . 0.33 109.435 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' 2048 ' ' HIS . . . 84.18 3.1 89.11 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 114.878 -1.056 . . . . 0.36 112.094 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.784 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -91.77 -157.8 0.53 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.259 0.552 . . . . 0.47 109.881 -178.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -135.2 123.94 23.8 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.869 -1.06 . . . . 0.43 109.315 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.538 HD13 HD11 ' A' 2118 ' ' LEU . 72.7 mt -128.72 151.62 77.42 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.366 -0.833 . . . . 1.25 111.833 -169.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' 2118 ' ' LEU . 80.4 Cg_endo -80.57 155.83 21.38 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.16 2.574 . . . . 0.33 111.407 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 73.2 Cg_endo -77.94 -0.36 10.59 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.937 1.758 . . . . 0.46 111.432 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 16.7 p -96.06 -0.22 50.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.007 -0.542 . . . . 0.36 112.018 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.538 HD11 HD13 ' A' 2114 ' ' LEU . 30.9 mt -40.28 -62.37 0.76 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.737 0.78 . . . . 0.79 112.153 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.607 HG21 HG21 ' A' 2094 ' ' ILE . 8.6 mm -57.67 -22.61 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.77 -1.559 . . . . 0.28 111.742 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -90.27 -33.32 16.18 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.38 111.698 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.26 -41.1 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.17 0.509 . . . . 1.34 111.554 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -128.22 74.76 79.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.251 -1.018 . . . . 0.43 108.251 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' 2124 ' ' THR . 44.5 Cg_endo -92.28 102.31 0.19 Allowed 'Trans proline' 0 N--CA 1.433 -2.032 0 C-N-CA 121.622 1.548 . . . . 0.25 112.372 -170.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.739 HG23 ' O ' ' A' 2123 ' ' PRO . 2.1 p 168.97 157.05 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 127.736 2.414 . . . . 0.13 105.158 163.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -55.96 -38.73 94.24 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 CA-C-N 120.828 1.332 . . . . 0.14 109.91 170.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' A' 2130 ' ' GLN . 66.8 t60 -66.72 -46.46 75.41 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.42 112.022 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.87 -38.85 73.3 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.082 0.468 . . . . 0.13 110.756 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.473 HD11 HD13 ' A' 2119 ' ' ILE . 39.9 mt -75.81 -29.18 58.59 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.199 -0.455 . . . . 0.14 111.442 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 55.0 m -61.85 -26.06 67.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.611 0.719 . . . . 0.24 109.211 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.8 mt-30 -80.91 -52.16 7.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.28 -0.873 . . . . 1.66 110.245 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.588 ' O ' ' HG2' ' A' 2135 ' ' ARG . 83.8 t60 -58.92 -54.09 51.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.286 -0.415 . . . . 0.35 111.502 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.413 HD11 HD11 ' A' 2114 ' ' LEU . 2.1 mm? -64.28 -29.1 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.871 0.323 . . . . 1.13 111.871 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' 2137 ' ' THR . 11.3 t-160 -68.39 -46.04 71.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.31 109.252 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' 2138 ' ' GLN . 42.0 m -64.7 -45.75 85.27 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.351 -0.386 . . . . 0.36 110.878 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.1 mmp_? -49.04 -49.32 41.88 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.847 0.356 . . . . 1.64 111.666 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.784 HD23 HD21 ' A' 2112 ' ' LEU . 97.1 mt -65.3 -38.58 90.64 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.089 -0.505 . . . . 0.97 112.171 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.467 HG23 ' O ' ' A' 2133 ' ' HIS . 82.5 p -78.2 -27.01 47.79 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.68 111.597 -176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' 2134 ' ' THR . 14.5 mm100 -81.79 141.78 33.19 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.088 -0.505 . . . . 1.96 109.66 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 38.7 p 48.01 62.04 2.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.671 0.748 . . . . 3.1 110.95 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.03 -0.986 . . . . 6.9 109.758 -176.848 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.752 -0.539 . . . . 6.15 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 6.0 p -148.92 125.24 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 6.22 110.971 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 33.7 m80 -125.43 166.08 17.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.511 0.672 . . . . 3.33 110.901 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.615 ' HB2' ' HA ' ' A' 2110 ' ' THR . 10.5 ttt -87.47 34.47 0.7 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.741 -1.118 . . . . 2.18 110.274 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' 2052 ' ' ASN . 7.0 mtt180 -41.47 10.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 127.542 2.337 . . . . 9.04 117.212 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' 2051 ' ' LEU . 20.9 tp -46.14 40.22 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 126.612 1.965 . . . . 2.25 115.904 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' 2050 ' ' ARG . 64.1 t30 -83.27 151.39 25.63 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.752 -1.217 . . . . 4.07 109.739 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.14 7.61 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.269 -0.732 . . . . 1.88 111.269 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.11 151.71 42.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.467 -0.568 . . . . 1.6 109.467 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 6.7 m -61.95 139.32 95.77 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.849 -0.797 . . . . 1.18 108.849 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.737 ' O ' ' HG3' ' A' 2060 ' ' GLN . 28.6 Cg_exo -39.27 -50.54 2.81 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 123.252 2.634 . . . . 0.86 113.55 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.35 -39.22 86.37 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.244 0.34 . . . . 1.95 111.345 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.1 -43.93 91.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.368 0.604 . . . . 1.6 109.827 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' 2062 ' ' THR . 43.1 mt-30 -66.69 -39.47 88.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.293 -0.867 . . . . 1.5 110.272 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.737 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.0 mt-30 -60.35 -58.58 7.89 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.112 -0.495 . . . . 0.95 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 56.6 mt-30 -54.48 -33.58 60.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.092 0.473 . . . . 1.32 111.573 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.589 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.9 m -53.15 -52.15 59.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.575 -0.739 . . . . 0.77 110.794 171.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.03 -23.77 41.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.775 0.798 . . . . 1.32 109.709 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.46 -32.05 72.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.391 -1.277 . . . . 0.51 108.858 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 89.1 m -85.64 -34.96 21.22 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.679 -1.601 . . . . 0.41 110.249 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -59.59 5.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.57 0.7 . . . . 1.35 109.304 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.516 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 55.5 t -55.76 -41.41 65.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.196 . . . . 0.22 110.897 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.76 -47.56 77.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.796 -1.093 . . . . 0.17 111.159 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.514 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.83 -31.55 70.97 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.116 0.484 . . . . 0.23 110.992 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.531 -0.759 . . . . 0.24 110.372 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.783 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.3 t -87.07 -24.81 24.45 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 119.869 -0.733 . . . . 0.28 110.598 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -50.71 -45.52 58.45 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.275 -0.639 . . . . 0.31 109.275 167.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 73.8 m -71.58 -48.95 44.96 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.296 -0.865 . . . . 0.46 110.803 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.781 HG22 HG22 ' A' 2098 ' ' THR . 0.8 OUTLIER -59.31 -41.92 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 113.277 0.843 . . . . 0.56 113.277 -175.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.783 ' HG ' ' O ' ' A' 2071 ' ' THR . 8.9 mt -79.28 -24.29 43.0 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.199 0.523 . . . . 0.74 110.285 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 94.71 51.22 2.0 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.93 112.67 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.2 p80 -142.91 -3.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.625 -0.43 . . . . 0.97 111.843 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.529 ' C ' ' HB1' ' A' 2072 ' ' ALA . 36.3 m-70 66.52 -43.71 0.42 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.156 1.539 . . . . 1.56 115.156 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.521 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 11.3 p -73.4 123.47 89.49 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 113.599 0.963 . . . . 1.82 113.599 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.6 Cg_exo -84.37 -13.68 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.961 3.107 . . . . 0.51 110.761 174.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' 2081 ' ' GLU . 7.3 pt-20 -81.93 -18.01 45.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.032 -0.986 . . . . 1.54 110.502 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 28.1 t -92.39 17.45 9.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.592 0.711 . . . . 0.63 110.067 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.553 HD12 HG23 ' A' 2071 ' ' THR . 12.3 mm -102.68 124.57 56.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.729 -0.669 . . . . 0.25 110.61 -177.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 14.6 m -90.59 109.24 32.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.306 -0.407 . . . . 0.28 110.329 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 20.8 Cg_endo -65.91 -26.78 51.43 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 C-N-CA 122.698 2.265 . . . . 0.15 112.583 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.65 -30.59 46.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.536 -0.756 . . . . 0.14 111.346 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.496 ' O ' HG22 ' A' 2124 ' ' THR . 33.1 m -75.12 146.91 40.98 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.45 0.643 . . . . 0.16 109.506 176.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.518 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.78 141.5 34.68 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.088 -0.96 . . . . 0.15 109.416 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.53 ' HB3' HG13 ' A' 2094 ' ' ILE . 37.6 m-85 -46.35 -37.93 8.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.12 112.342 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.516 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.58 -64.73 0.72 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.263 0.554 . . . . 1.69 110.572 175.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.54 -30.87 65.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.843 -1.072 . . . . 2.27 111.274 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' 2089 ' ' PHE . 82.9 mt -71.06 -14.91 62.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.24 112.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 117.74 4.53 14.92 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.235 -0.983 . . . . 0.2 113.456 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2119 ' ' ILE . 6.1 mm -68.91 133.04 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.312 0.577 . . . . 0.32 112.485 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 30.7 t70 -110.42 167.98 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.159 -0.928 . . . . 1.86 108.794 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.2 m -52.45 -39.31 60.93 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.306 0.503 . . . . 1.32 111.926 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' 2101 ' ' GLU . 12.3 tp -63.48 -55.35 24.81 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.132 0.573 . . . . 1.61 110.945 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.781 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.89 -25.96 63.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.878 0.696 . . . . 0.19 112.878 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.77 -24.64 64.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.871 0.843 . . . . 0.24 109.316 170.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -37.28 14.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.829 -1.078 . . . . 1.15 109.144 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' 2097 ' ' LEU . 27.8 mt-10 -65.54 -37.66 87.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.546 . . . . 0.46 110.882 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 2106 ' ' LEU . 11.0 mt -55.43 -58.71 6.62 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.313 0.577 . . . . 1.13 110.055 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' 2115 ' ' PRO . 2.0 tmt_? -48.14 -43.71 31.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.191 -1.368 . . . . 2.11 110.882 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -58.87 -44.14 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 0.4 111.359 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 62.6 m -75.31 -40.86 58.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 0.33 111.202 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 2102 ' ' LEU . 84.0 mt -68.4 -47.8 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.47 111.427 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.7 t -65.54 -27.02 68.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.31 0.576 . . . . 0.67 109.818 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.71 -52.44 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 1.29 110.411 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -60.32 -43.79 96.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.279 -0.873 . . . . 0.4 112.195 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.615 ' HA ' ' HB2' ' A' 2049 ' ' MET . 40.4 p -78.22 -28.01 47.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.457 0.646 . . . . 0.33 110.072 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 87.94 7.17 74.64 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.151 -0.932 . . . . 0.36 112.062 176.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -97.85 -158.94 0.7 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.295 0.569 . . . . 0.47 109.973 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -135.67 124.34 23.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.941 -1.027 . . . . 0.43 109.646 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 80.1 mt -133.6 155.13 80.84 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 115.172 -0.922 . . . . 1.25 111.47 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.572 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -81.09 154.03 19.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.309 2.673 . . . . 0.33 111.843 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.17 1.1 7.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.1 1.867 . . . . 0.46 111.551 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 17.6 p -96.14 -0.02 50.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.36 111.786 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' 2115 ' ' PRO . 51.4 mt -38.15 -62.26 0.59 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.578 0.704 . . . . 0.79 112.065 173.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.547 HG21 HG21 ' A' 2094 ' ' ILE . 9.3 mm -57.03 -25.28 22.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 113.86 -1.518 . . . . 0.28 111.718 -175.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -90.41 -32.18 16.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.331 -0.395 . . . . 0.38 111.967 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.62 -33.21 21.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.297 0.57 . . . . 1.34 110.671 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -132.3 74.34 76.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.529 -0.915 . . . . 0.43 108.529 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' 2124 ' ' THR . 19.6 Cg_endo -91.61 102.94 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.771 0 C-N-CA 122.032 1.821 . . . . 0.25 112.625 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.732 HG23 ' O ' ' A' 2123 ' ' PRO . 3.0 p 167.56 156.31 0.13 Allowed Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 127.853 2.461 . . . . 0.13 105.206 160.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.1 Cg_exo -55.93 -37.44 95.99 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.356 1.52 . . . . 0.14 110.487 172.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 2130 ' ' GLN . 69.5 t60 -68.61 -43.16 76.99 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.42 111.618 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.45 75.52 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.959 0.409 . . . . 0.13 110.782 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.486 HD11 HD13 ' A' 2119 ' ' ILE . 50.4 mt -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.347 -0.388 . . . . 0.14 111.367 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 54.4 m -58.63 -31.96 68.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.095 -0.706 . . . . 0.24 109.095 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 2126 ' ' HIS . 2.2 mt-30 -80.35 -41.29 25.03 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.017 -0.992 . . . . 1.66 110.273 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 84.8 t60 -65.49 -53.89 36.03 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-N 116.413 -0.358 . . . . 0.35 111.404 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.504 HD12 HG21 ' A' 2110 ' ' THR . 2.1 mm? -61.55 -31.29 71.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.617 0.246 . . . . 1.13 111.167 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.58 -39.49 70.53 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.714 -0.476 . . . . 0.31 109.714 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 99.4 m -62.8 -51.12 68.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.36 110.257 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' 2112 ' ' LEU . 10.0 mmm180 -46.95 -56.46 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.722 0.638 . . . . 1.64 112.722 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.691 HD23 HD21 ' A' 2112 ' ' LEU . 79.8 mt -63.48 -38.74 92.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.97 112.215 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 76.5 p -81.2 -30.91 34.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.957 0.408 . . . . 0.68 111.349 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.87 128.5 36.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.931 -0.577 . . . . 1.96 111.188 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 22.8 m -90.63 147.64 23.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.056 -0.52 . . . . 3.1 110.17 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.381 -0.818 . . . . 6.9 109.596 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.782 -0.527 . . . . 6.15 111.782 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 22.2 t -86.91 78.95 8.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.132 -0.692 . . . . 6.22 109.132 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.542 ' HB3' ' CD1' ' A' 2136 ' ' LEU . 9.3 m80 59.4 -89.65 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.182 -0.917 . . . . 3.33 111.506 -174.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.615 ' HG3' ' O ' ' A' 2109 ' ' ASN . 12.6 ttm -112.95 -81.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.378 -0.929 . . . . 2.18 112.435 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.551 ' O ' HD23 ' A' 2054 ' ' LEU . 32.5 mmt180 -109.56 -0.24 18.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.702 -1.135 . . . . 9.04 112.359 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.471 ' HG ' ' NE2' ' A' 2059 ' ' GLN . 6.5 mp -71.83 13.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.437 1.273 . . . . 2.25 114.437 -161.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -90.26 108.9 20.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.282 0.563 . . . . 4.07 110.605 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 99.12 -18.84 56.12 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.903 -0.665 . . . . 1.88 113.336 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' 2050 ' ' ARG . 3.2 mm? -88.43 143.17 27.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.622 . . . . 1.6 112.116 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 50.5 m -76.42 154.2 83.93 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.961 -1.018 . . . . 1.18 109.767 172.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' 2060 ' ' GLN . 12.6 Cg_exo -36.7 -50.1 1.39 Allowed 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 124.614 3.543 . . . . 0.86 114.712 -177.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -64.7 -42.82 95.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.613 0.188 . . . . 1.95 111.075 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.618 ' HA ' HE21 ' A' 2058 ' ' GLN . 0.0 OUTLIER -60.19 -40.53 90.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.369 0.604 . . . . 1.6 109.449 175.394 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.636 ' O ' ' HB ' ' A' 2062 ' ' THR . 97.9 mt-30 -59.64 -40.9 89.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.047 -0.978 . . . . 1.5 110.266 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' 2056 ' ' PRO . 22.6 mt-30 -62.21 -53.49 54.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.822 0.344 . . . . 0.95 110.45 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.703 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 49.2 mt-30 -52.5 -30.93 32.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.48 -0.782 . . . . 1.32 111.475 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' 2059 ' ' GLN . 97.7 m -53.22 -57.28 11.03 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.378 -0.828 . . . . 0.77 111.722 174.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.605 HD22 ' H ' ' A' 2063 ' ' LEU . 0.0 OUTLIER -72.28 -35.89 68.83 Favored 'General case' 0 CA--C 1.5 -0.981 0 N-CA-C 108.462 -0.94 . . . . 1.32 108.462 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -54.17 -42.14 69.29 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.643 -1.617 . . . . 0.51 109.706 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 33.1 m -78.41 -43.12 28.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.059 -1.428 . . . . 0.41 111.304 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 10.3 tp -57.13 -59.74 4.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.515 0.674 . . . . 1.35 110.975 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.456 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 53.3 t -52.98 -42.14 43.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.397 -1.274 . . . . 0.22 111.169 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -67.89 -46.88 70.4 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.426 -0.806 . . . . 0.17 111.051 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.506 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.46 -32.03 72.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.2 0.524 . . . . 0.23 110.626 176.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.72 86.97 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.49 -0.777 . . . . 0.24 110.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 13.0 t -86.79 -25.01 24.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.853 -0.739 . . . . 0.28 110.439 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.595 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -51.79 -44.28 63.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.221 -0.659 . . . . 0.31 109.221 166.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.3 m -69.82 -49.84 48.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.267 -0.879 . . . . 0.46 110.792 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.824 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -60.95 -40.13 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 113.421 0.897 . . . . 0.56 113.421 -174.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.4 mt -81.2 -22.05 39.15 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.253 0.549 . . . . 0.74 110.16 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 91.44 54.11 2.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.582 -0.736 . . . . 0.93 112.607 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 6.6 p80 -145.66 -6.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.621 -0.432 . . . . 0.97 111.944 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.546 ' C ' ' HB1' ' A' 2072 ' ' ALA . 29.1 m-70 67.18 -34.29 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.286 1.587 . . . . 1.56 115.286 171.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 13.6 p -79.05 122.36 84.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 113.582 0.956 . . . . 1.82 113.582 -175.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.506 ' HB3' ' N ' ' A' 2069 ' ' ALA . 3.6 Cg_exo -85.15 -17.97 4.39 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.925 3.083 . . . . 0.51 111.086 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.68 -18.9 56.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.448 -0.796 . . . . 1.54 110.342 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -94.61 21.01 7.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.366 0.603 . . . . 0.63 110.219 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.598 HD12 HG23 ' A' 2071 ' ' THR . 12.8 mm -104.63 111.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.522 -0.763 . . . . 0.25 110.352 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 47.0 m -79.96 113.16 35.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.624 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 27.5 Cg_endo -66.78 -27.39 44.37 Favored 'Trans proline' 0 CA--C 1.513 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.15 112.995 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.01 53.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.939 -0.573 . . . . 0.14 111.441 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' 2091 ' ' ASP . 29.4 m -74.63 146.89 42.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.45 0.643 . . . . 0.16 109.394 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.557 ' HA ' HG22 ' A' 2124 ' ' THR . . . -83.42 143.56 30.2 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.001 -0.999 . . . . 0.15 109.612 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.5 ' HB3' HG13 ' A' 2094 ' ' ILE . 33.5 m-85 -49.37 -38.94 30.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.655 -0.702 . . . . 0.12 112.056 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.62 -63.24 1.14 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.219 0.533 . . . . 1.69 110.628 174.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.437 ' HB3' ' CG2' ' A' 2087 ' ' THR . 15.0 t70 -57.53 -30.79 65.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.038 -0.983 . . . . 2.27 111.048 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' 2089 ' ' PHE . 88.7 mt -73.27 -17.96 61.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.734 -0.666 . . . . 0.24 112.33 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.77 4.24 9.69 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.079 -1.058 . . . . 0.2 113.458 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2119 ' ' ILE . 5.5 mm -69.54 129.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.111 0.782 . . . . 0.32 113.111 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -105.48 178.02 4.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.343 -0.844 . . . . 1.86 108.854 172.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 12.4 p -60.64 -42.95 97.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.085 0.469 . . . . 1.32 111.372 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' 2101 ' ' GLU . 11.4 tp -60.54 -54.1 49.48 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.57 -0.741 . . . . 1.61 110.893 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.824 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -70.31 -26.54 63.83 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.039 0.755 . . . . 0.19 113.039 -179.012 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.486 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.13 -23.52 63.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.905 0.86 . . . . 0.24 109.521 170.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.82 -37.43 14.48 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.83 -1.077 . . . . 1.15 109.058 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.47 ' HG3' ' HA ' ' A' 2098 ' ' THR . 32.7 mt-10 -65.11 -36.87 85.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.072 -0.513 . . . . 0.46 111.37 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 2071 ' ' THR . 12.8 mt -55.38 -61.44 2.33 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.285 0.564 . . . . 1.13 110.011 171.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' 2115 ' ' PRO . 1.3 tmt_? -49.17 -40.1 31.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.413 -1.267 . . . . 2.11 111.248 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.7 m-20 -55.01 -51.94 64.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.4 110.827 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 8.4 m -67.83 -41.19 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.64 . . . . 0.33 110.498 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2102 ' ' LEU . 5.8 mp -60.52 -59.9 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 1.47 112.0 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 5.7 t -65.37 -27.92 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.998 0.427 . . . . 0.67 110.635 -174.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.7 -53.26 35.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.408 0.623 . . . . 1.29 110.136 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.615 ' O ' ' HG3' ' A' 2049 ' ' MET . 2.8 m-80 -64.93 -34.83 79.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.864 -1.062 . . . . 0.4 112.688 -176.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 32.9 p -83.78 -27.03 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.115 0.483 . . . . 0.33 111.01 -173.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.54 12.27 75.75 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.423 -0.808 . . . . 0.36 112.031 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -108.31 -160.08 0.71 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.316 0.579 . . . . 0.47 110.024 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -134.35 125.45 27.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.845 -1.07 . . . . 0.43 109.379 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 83.3 mt -133.56 152.66 79.47 Favored Pre-proline 0 C--N 1.309 -1.155 0 CA-C-N 115.148 -0.933 . . . . 1.25 110.879 -172.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' 2118 ' ' LEU . 68.8 Cg_endo -79.75 150.72 21.5 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 123.135 2.556 . . . . 0.33 112.092 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.07 -0.32 8.36 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.277 1.985 . . . . 0.46 111.548 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 8.5 p -98.77 4.18 47.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.775 -0.648 . . . . 0.36 112.131 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' 2115 ' ' PRO . 49.9 mt -38.94 -63.02 0.56 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.522 0.677 . . . . 0.79 112.219 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.564 HG21 HG21 ' A' 2094 ' ' ILE . 6.9 mm -57.22 -23.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 113.978 -1.465 . . . . 0.28 111.784 -175.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -86.91 -31.12 20.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.258 -0.428 . . . . 0.38 111.706 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.23 -36.37 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.287 0.565 . . . . 1.34 111.014 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -126.06 72.16 70.18 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.659 -0.867 . . . . 0.43 108.659 -177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.779 ' O ' HG23 ' A' 2124 ' ' THR . 14.4 Cg_endo -91.79 103.23 0.22 Allowed 'Trans proline' 0 N--CA 1.437 -1.824 0 C-N-CA 121.82 1.68 . . . . 0.25 112.838 -171.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.779 HG23 ' O ' ' A' 2123 ' ' PRO . 6.9 p 168.32 159.15 0.16 Allowed Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 128.031 2.532 . . . . 0.13 104.959 159.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -57.23 -37.11 98.82 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 CA-C-N 121.192 1.462 . . . . 0.14 110.21 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.636 ' O ' ' HG3' ' A' 2130 ' ' GLN . 70.2 t60 -67.27 -47.79 69.66 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.42 111.592 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.26 67.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.127 0.421 . . . . 0.13 110.801 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.428 HD11 HD13 ' A' 2119 ' ' ILE . 37.6 mt -76.32 -33.76 59.02 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.184 -0.462 . . . . 0.14 111.398 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 42.8 m -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.984 -0.747 . . . . 0.24 108.984 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.1 mt-30 -74.61 -47.24 33.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.109 -0.95 . . . . 1.66 110.097 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.09 -51.71 65.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.047 -0.524 . . . . 0.35 111.297 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' 2136 ' ' LEU . 2.2 mm? -63.28 -37.21 86.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 121.078 -0.249 . . . . 1.13 111.31 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.85 -32.66 73.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.124 -0.695 . . . . 0.31 109.124 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.7 m -69.94 -46.42 65.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.469 -0.787 . . . . 0.36 110.589 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.793 ' HB3' HD13 ' A' 2112 ' ' LEU . 7.8 mmm180 -62.87 -51.01 68.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.736 0.643 . . . . 1.64 112.736 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' 2132 ' ' LEU . 4.2 mm? -63.62 -17.89 63.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.057 0.762 . . . . 0.97 113.057 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 70.6 p -110.12 -53.9 2.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.683 0.754 . . . . 0.68 111.298 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' 2139 ' ' SER . 0.0 OUTLIER -100.79 158.74 15.74 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.462 -1.245 . . . . 1.96 110.554 -176.664 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' 2138 ' ' GLN . 91.2 p 59.82 -162.97 0.24 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.613 0.765 . . . . 3.1 111.801 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.177 -0.916 . . . . 6.9 111.045 -175.842 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.442 ' HA3' ' OE1' ' A' 2059 ' ' GLN . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.852 -0.499 . . . . 6.15 111.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 15.6 p -167.96 143.85 3.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.396 -0.224 . . . . 6.22 110.396 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -177.23 -62.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 3.33 109.932 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.457 ' HG2' ' HG2' ' A' 2050 ' ' ARG . 39.1 ttp -110.76 -78.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 2.18 111.471 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.457 ' HG2' ' HG2' ' A' 2049 ' ' MET . 40.9 mmt180 -108.78 -1.55 19.21 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.987 -1.006 . . . . 9.04 111.709 174.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.559 HD21 HD13 ' A' 2136 ' ' LEU . 1.8 mm? -72.64 -18.0 61.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.64 0.607 . . . . 2.25 112.64 -163.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -56.38 112.37 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.999 0.428 . . . . 4.07 111.617 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.28 -22.6 22.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.924 -0.655 . . . . 1.88 112.478 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.505 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.9 mm? -92.94 155.74 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.954 0.407 . . . . 1.6 110.88 -177.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 59.5 m -86.19 157.16 56.85 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.579 -0.737 . . . . 1.18 109.33 170.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.536 ' O ' ' HG3' ' A' 2060 ' ' GLN . 4.2 Cg_exo -36.27 -54.91 0.83 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 124.891 3.728 . . . . 0.86 115.529 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.49 -36.63 81.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 1.95 110.692 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 12.9 mm-40 -64.96 -40.27 94.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.575 -0.528 . . . . 1.6 109.575 174.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.577 ' O ' ' HB ' ' A' 2062 ' ' THR . 29.3 mt-30 -57.87 -40.78 81.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.302 -0.863 . . . . 1.5 110.259 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 2063 ' ' LEU . 18.9 mt-30 -60.16 -58.8 6.98 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.123 -0.49 . . . . 0.95 110.201 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.7 mt-30 -53.28 -35.85 60.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.029 0.443 . . . . 1.32 111.3 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' 2059 ' ' GLN . 62.1 m -53.47 -55.31 26.36 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.77 111.339 172.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.1 pp -79.36 -21.62 45.53 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.862 0.839 . . . . 1.32 109.465 -175.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.7 -43.71 92.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.995 -1.457 . . . . 0.51 108.553 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.6 m -70.28 -34.85 73.27 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 113.522 -1.672 . . . . 0.41 110.607 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -52.72 64.36 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.312 -0.625 . . . . 1.35 109.312 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' 2063 ' ' LEU . 58.2 t -56.75 -46.38 83.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.22 111.088 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.67 83.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.573 -0.74 . . . . 0.17 111.246 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.531 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.23 110.491 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.75 84.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.487 -0.779 . . . . 0.24 110.396 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.737 ' O ' ' HG ' ' A' 2075 ' ' LEU . 9.9 t -87.67 -20.48 26.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 119.908 -0.717 . . . . 0.28 110.524 -176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -50.05 -45.34 52.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.876 -0.602 . . . . 0.31 109.764 169.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.7 m -65.89 -49.04 69.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.055 -0.975 . . . . 0.46 110.877 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.793 HG22 HG22 ' A' 2098 ' ' THR . 1.0 OUTLIER -59.89 -45.73 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.56 112.963 -176.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' A' 2071 ' ' THR . 14.5 mt -76.47 -31.11 57.6 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.9 0.381 . . . . 0.74 111.012 -176.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 114.76 47.66 0.56 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.381 -0.914 . . . . 0.93 113.923 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 2078 ' ' HIS . 0.2 OUTLIER -139.62 -17.14 1.0 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 117.416 0.608 . . . . 0.97 112.503 174.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' 2077 ' ' HIS . 31.1 m-70 70.55 -38.86 0.43 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.455 HG23 ' OE1' ' A' 2081 ' ' GLU . 1.3 t -90.82 142.01 27.29 Favored Pre-proline 0 C--O 1.238 0.477 0 CA-C-O 121.713 0.768 . . . . 1.82 111.93 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.531 ' HB3' ' N ' ' A' 2069 ' ' ALA . 7.0 Cg_endo -89.43 -0.17 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.341 1 C-N-CA 125.44 4.093 . . . . 0.51 112.601 -178.205 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.455 ' OE1' HG23 ' A' 2079 ' ' THR . 1.3 pm0 -67.77 -10.55 53.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.664 -0.698 . . . . 1.54 110.771 -175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 42.2 t -116.68 18.98 14.77 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.14 -0.936 . . . . 0.63 110.552 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.698 HD12 HG23 ' A' 2071 ' ' THR . 15.0 mm -100.29 111.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.25 110.659 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.2 m -87.32 113.65 54.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.28 110.4 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.47 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.7 Cg_endo -65.54 -29.45 52.75 Favored 'Trans proline' 0 CA--C 1.512 -0.622 0 C-N-CA 122.747 2.298 . . . . 0.15 112.811 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.903 -0.589 . . . . 0.14 111.185 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.451 ' O ' HG22 ' A' 2124 ' ' THR . 35.3 m -76.38 148.42 37.38 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.336 -0.616 . . . . 0.16 109.336 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.579 ' HA ' HG22 ' A' 2124 ' ' THR . . . -84.01 143.31 29.86 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.341 -0.845 . . . . 0.15 109.662 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.526 ' HB3' HG13 ' A' 2094 ' ' ILE . 34.6 m-85 -47.95 -39.47 19.39 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 123.745 0.653 . . . . 0.12 111.784 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.59 -63.2 1.07 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.689 -0.687 . . . . 1.69 111.375 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.448 ' HB3' ' CG2' ' A' 2087 ' ' THR . 13.8 t70 -57.81 -31.93 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 2.27 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' 2089 ' ' PHE . 83.9 mt -73.54 -15.02 61.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.57 -0.741 . . . . 0.24 112.303 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.12 0.99 11.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.126 -1.035 . . . . 0.2 113.618 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2119 ' ' ILE . 3.2 mm -67.69 129.94 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.492 0.663 . . . . 0.32 112.495 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -103.88 168.89 8.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.983 -1.117 . . . . 1.86 107.983 172.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 11.5 t -58.73 -31.89 68.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 118.619 0.645 . . . . 1.32 110.848 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.607 ' O ' ' HG3' ' A' 2101 ' ' GLU . 57.5 mt -68.39 -53.64 22.51 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.168 0.509 . . . . 1.61 109.771 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.793 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.16 -26.24 64.76 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.819 -0.628 . . . . 0.19 112.547 179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.547 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.76 -23.89 65.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.998 0.904 . . . . 0.24 109.527 170.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.16 -37.06 14.44 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.627 -1.17 . . . . 1.15 108.884 178.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' 2097 ' ' LEU . 30.5 mt-10 -67.49 -35.91 80.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 0.46 111.5 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' 2071 ' ' THR . 9.5 mt -55.65 -63.77 1.06 Allowed 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.116 0.484 . . . . 1.13 111.012 174.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' 2100 ' ' LEU . 2.3 ppt_? -54.95 -30.13 58.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.926 -1.034 . . . . 2.11 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' 2101 ' ' GLU . 69.3 m-20 -58.73 -48.36 81.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 0.4 110.617 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 28.0 m -70.52 -41.45 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.33 110.637 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.9 mp -61.12 -57.78 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.47 111.683 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' 2113 ' ' ASP . 6.0 t -60.59 -28.06 68.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.256 0.551 . . . . 0.67 110.495 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.1 t60 -73.7 -48.79 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.29 110.623 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' 2049 ' ' MET . 5.1 m-80 -66.54 -40.92 89.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.297 -0.865 . . . . 0.4 112.181 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.647 ' HB ' HD21 ' A' 2136 ' ' LEU . 38.0 p -80.32 -24.53 39.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.979 -0.555 . . . . 0.33 110.364 -173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.13 9.55 82.05 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.36 112.121 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.78 HD21 HD23 ' A' 2136 ' ' LEU . 0.1 OUTLIER -103.08 -159.3 0.72 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.116 0.484 . . . . 0.47 109.776 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . 0.483 ' HA ' ' OG1' ' A' 2107 ' ' THR . 23.5 t70 -134.91 125.73 27.28 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.976 -1.011 . . . . 0.43 109.415 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.514 HD13 HD11 ' A' 2118 ' ' LEU . 72.2 mt -131.28 149.6 74.1 Favored Pre-proline 0 C--N 1.307 -1.28 0 CA-C-N 115.233 -0.894 . . . . 1.25 110.696 -172.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.44 157.0 25.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.251 2.634 . . . . 0.33 112.134 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -75.53 2.88 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.318 2.012 . . . . 0.46 111.158 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 19.4 p -106.57 5.96 29.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.471 -0.786 . . . . 0.36 112.081 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.514 HD11 HD13 ' A' 2114 ' ' LEU . 17.7 mt -42.42 -63.53 0.75 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.446 0.641 . . . . 0.79 112.088 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.55 HG21 HG21 ' A' 2094 ' ' ILE . 8.2 mm -56.58 -24.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.044 -1.435 . . . . 0.28 111.786 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -88.62 -32.26 18.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.38 111.697 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.46 -34.75 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.266 0.555 . . . . 1.34 110.603 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -131.77 77.08 73.23 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.373 -0.973 . . . . 0.43 108.373 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.686 ' O ' HG23 ' A' 2124 ' ' THR . 20.9 Cg_endo -91.07 102.95 0.26 Allowed 'Trans proline' 0 N--CA 1.44 -1.634 0 C-N-CA 121.443 1.429 . . . . 0.25 112.623 -172.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.686 HG23 ' O ' ' A' 2123 ' ' PRO . 2.2 p 167.04 158.8 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 127.757 2.423 . . . . 0.13 105.294 160.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.455 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.5 Cg_exo -57.08 -36.87 99.37 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 121.2 1.464 . . . . 0.14 110.074 170.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 71.3 t60 -69.29 -43.07 74.59 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.874 -0.603 . . . . 0.42 112.039 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.6 76.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.161 0.505 . . . . 0.13 110.424 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.454 HD11 HD13 ' A' 2119 ' ' ILE . 28.0 mt -71.98 -28.76 63.63 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.005 -0.543 . . . . 0.14 111.4 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 26.3 m -61.43 -29.22 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.24 109.277 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.17 -44.81 19.19 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.283 -0.872 . . . . 1.66 110.171 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' 2135 ' ' ARG . 78.7 t60 -69.24 -52.02 31.82 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.495 -0.321 . . . . 0.35 111.613 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.7 mm? -61.86 -28.78 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.753 0.279 . . . . 1.13 111.753 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -68.46 -39.73 81.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.278 -0.638 . . . . 0.31 109.278 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 90.0 m -64.23 -46.55 83.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.36 110.392 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.693 ' HB3' HD13 ' A' 2112 ' ' LEU . 11.0 mmm180 -62.12 -46.24 89.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.158 -0.473 . . . . 1.64 111.986 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.78 HD23 HD21 ' A' 2112 ' ' LEU . 95.3 mt -74.07 -5.13 39.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.842 0.682 . . . . 0.97 112.842 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 39.1 p -110.33 -41.17 4.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.203 0.525 . . . . 0.68 111.116 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.92 108.84 3.65 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.493 -0.776 . . . . 1.96 111.186 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 11.5 p -141.15 30.9 1.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.818 0.818 . . . . 3.1 110.068 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 114.53 -1.213 . . . . 6.9 109.804 -178.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 112.132 -0.387 . . . . 6.15 112.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 49.6 m -76.35 -5.94 49.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.982 0.364 . . . . 6.22 111.982 -175.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 35.4 m80 63.92 -84.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.695 0.628 . . . . 3.33 112.695 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.521 ' HG2' ' HG2' ' A' 2050 ' ' ARG . 30.5 ttp -108.38 -78.99 0.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.337 0.866 . . . . 2.18 113.337 -169.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.521 ' HG2' ' HG2' ' A' 2049 ' ' MET . 28.5 mmt180 -107.18 -11.34 15.62 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 113.226 0.824 . . . . 9.04 113.226 -176.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' 2059 ' ' GLN . 1.8 mm? -78.45 30.39 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.977 1.103 . . . . 2.25 113.977 -161.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -84.38 107.98 16.95 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.678 -0.409 . . . . 4.07 110.052 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 98.96 -2.73 58.31 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.855 -0.688 . . . . 1.88 113.619 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.7 mm? -100.46 138.77 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.475 0.638 . . . . 1.6 110.911 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 28.3 m -72.15 155.9 91.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.616 -0.72 . . . . 1.18 109.444 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.599 ' O ' ' HB2' ' A' 2059 ' ' GLN . 5.2 Cg_exo -36.7 -53.92 1.05 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 124.635 3.557 . . . . 0.86 115.549 -175.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -71.37 -35.42 71.09 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.139 -0.624 . . . . 1.95 110.845 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.432 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 82.3 mm-40 -60.88 -42.27 97.61 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.039 -0.726 . . . . 1.6 109.039 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.633 ' HA ' HD12 ' A' 2051 ' ' LEU . 93.4 mt-30 -53.55 -48.42 69.13 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.535 -1.212 . . . . 1.5 110.291 174.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' 2056 ' ' PRO . 42.5 mt-30 -59.29 -54.28 48.58 Favored 'General case' 0 C--O 1.203 -1.362 0 CA-C-N 115.498 -0.774 . . . . 0.95 110.134 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 70.7 mt-30 -52.54 -38.69 60.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.913 0.387 . . . . 1.32 111.511 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' 2059 ' ' GLN . 96.2 m -54.24 -55.45 27.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.645 . . . . 0.77 111.428 173.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2060 ' ' GLN . 3.8 pp -80.49 -18.67 47.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.928 0.871 . . . . 1.32 109.63 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -66.01 -46.97 76.02 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.973 -1.467 . . . . 0.51 108.089 174.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 91.0 m -63.25 -38.79 92.54 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.595 -1.639 . . . . 0.41 110.306 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -54.91 41.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 1.35 109.254 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.461 ' HA ' HD21 ' A' 2106 ' ' LEU . 55.7 t -57.3 -46.27 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.247 -0.888 . . . . 0.22 111.021 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.474 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -62.0 -48.02 82.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.265 -0.88 . . . . 0.17 111.35 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -32.65 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.23 110.748 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.64 92.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.62 -0.718 . . . . 0.24 110.501 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.793 ' O ' ' HG ' ' A' 2075 ' ' LEU . 15.0 t -87.4 -26.97 23.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 120.002 -0.679 . . . . 0.28 110.389 -176.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' 2078 ' ' HIS . . . -50.88 -44.33 59.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.977 -0.749 . . . . 0.31 108.977 166.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.9 m -70.39 -50.07 42.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.231 -0.895 . . . . 0.46 111.03 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.79 HG22 HG22 ' A' 2098 ' ' THR . 0.6 OUTLIER -59.43 -43.41 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.146 0.795 . . . . 0.56 113.146 -175.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2071 ' ' THR . 7.7 mt -78.47 -26.64 46.14 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.218 0.532 . . . . 0.74 110.139 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 95.2 47.34 2.63 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.381 -0.827 . . . . 0.93 112.76 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 10.0 p80 -137.31 -8.61 1.73 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 120.427 -0.509 . . . . 0.97 111.722 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.51 ' C ' ' HB1' ' A' 2072 ' ' ALA . 88.5 m-70 72.37 -30.59 0.21 Allowed 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.269 1.581 . . . . 1.56 115.269 166.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 12.3 p -84.4 125.01 72.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 119.36 0.982 . . . . 1.82 113.393 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.1 Cg_exo -85.63 -13.05 6.12 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.919 3.079 . . . . 0.51 110.862 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.82 -13.22 51.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 1.54 110.379 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.1 t -100.83 19.33 17.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.45 0.643 . . . . 0.63 109.891 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.556 HD12 HG23 ' A' 2071 ' ' THR . 14.2 mm -100.53 115.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.505 -0.77 . . . . 0.25 109.913 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 13.9 m -84.65 110.47 27.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 0.28 110.331 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 25.7 Cg_endo -66.46 -27.67 46.61 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 C-N-CA 122.48 2.12 . . . . 0.15 112.585 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.68 -30.65 52.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.14 110.96 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.438 ' O ' HG22 ' A' 2124 ' ' THR . 63.0 m -74.98 148.53 39.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 109.188 -0.671 . . . . 0.16 109.188 175.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.555 ' HA ' HG22 ' A' 2124 ' ' THR . . . -82.86 144.29 30.19 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.974 -1.012 . . . . 0.15 109.654 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.515 ' HB3' HG13 ' A' 2094 ' ' ILE . 31.8 m-85 -49.14 -37.22 21.38 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.727 0.642 . . . . 0.12 111.873 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.08 -65.38 0.58 Allowed 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.917 -0.583 . . . . 1.69 110.865 174.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.419 ' HB3' ' CG2' ' A' 2087 ' ' THR . 23.5 t70 -57.77 -27.34 62.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.468 -0.787 . . . . 2.27 111.335 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.9 mt -74.57 -14.5 60.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.854 -0.612 . . . . 0.24 112.018 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.39 0.79 14.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.322 -0.942 . . . . 0.2 113.583 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.524 HG21 HG21 ' A' 2119 ' ' ILE . 6.3 mm -66.62 132.19 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.883 0.697 . . . . 0.32 112.883 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -107.39 178.09 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.114 -0.948 . . . . 1.86 108.924 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 13.6 p -57.75 -39.66 77.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.176 0.512 . . . . 1.32 111.261 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' 2101 ' ' GLU . 51.9 mt -65.21 -53.94 37.06 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.395 -0.82 . . . . 1.61 110.24 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.79 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -71.06 -26.35 63.03 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.587 -0.733 . . . . 0.19 112.736 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.69 -24.32 65.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.012 0.91 . . . . 0.24 109.23 170.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -39.87 12.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.438 -1.256 . . . . 1.15 109.391 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' 2097 ' ' LEU . 20.6 mt-10 -63.69 -36.39 83.7 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.826 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' 2071 ' ' THR . 9.1 mt -57.08 -59.32 5.25 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 121.251 0.548 . . . . 1.13 110.337 172.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.86 -44.04 28.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.439 -1.255 . . . . 2.11 110.692 176.135 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -57.14 -53.38 58.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.909 -0.587 . . . . 0.4 111.493 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 95.1 m -66.88 -43.43 83.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.474 -0.33 . . . . 0.33 111.445 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 2102 ' ' LEU . 94.3 mt -64.81 -51.21 63.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.341 -0.39 . . . . 1.47 111.471 -177.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 2.8 t -66.65 -28.1 68.2 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.164 0.506 . . . . 0.67 110.183 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.87 -53.08 35.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.201 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -60.72 -49.5 77.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.4 112.006 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.597 ' HB ' HD21 ' A' 2136 ' ' LEU . 36.2 p -74.22 -21.72 59.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.37 0.605 . . . . 0.33 110.221 -172.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 80.14 10.8 85.1 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.025 -0.989 . . . . 0.36 112.084 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.721 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.0 OUTLIER -101.91 -160.17 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.362 0.601 . . . . 0.47 109.495 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.25 123.78 22.2 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.917 -1.038 . . . . 0.43 109.052 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 69.5 mt -129.95 154.98 81.27 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 114.825 -1.08 . . . . 1.25 111.007 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' A' 2118 ' ' LEU . 67.7 Cg_endo -80.76 148.46 17.72 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.151 2.567 . . . . 0.33 111.806 177.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.75 -2.47 11.47 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.03 1.82 . . . . 0.46 111.162 174.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.0 p -94.38 2.06 55.81 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.731 -0.668 . . . . 0.36 111.493 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2115 ' ' PRO . 16.9 mt -36.95 -67.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.812 0.671 . . . . 0.79 112.812 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' 2099 ' ' ALA . 8.4 mm -56.7 -25.87 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 114.335 -1.302 . . . . 0.28 111.584 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -88.84 -32.64 17.7 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.241 -0.436 . . . . 0.38 111.751 -177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.64 -33.05 23.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.386 0.612 . . . . 1.34 110.631 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -133.87 78.23 60.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.55 -0.907 . . . . 0.43 108.55 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.716 ' O ' HG23 ' A' 2124 ' ' THR . 27.8 Cg_endo -91.56 102.68 0.23 Allowed 'Trans proline' 0 N--CA 1.437 -1.826 0 C-N-CA 121.507 1.471 . . . . 0.25 112.56 -172.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.716 HG23 ' O ' ' A' 2123 ' ' PRO . 3.2 p 166.77 157.24 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 127.939 2.496 . . . . 0.13 105.055 160.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 34.8 Cg_exo -55.67 -39.34 91.64 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 CA-C-N 121.441 1.55 . . . . 0.14 109.986 171.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.529 ' O ' ' HG3' ' A' 2130 ' ' GLN . 50.6 t60 -63.34 -46.88 84.55 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.628 -0.714 . . . . 0.42 111.65 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.61 77.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.998 0.428 . . . . 0.13 111.038 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.573 HD11 HD13 ' A' 2119 ' ' ILE . 44.4 mt -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.14 111.294 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.493 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 88.7 m -63.09 -25.03 68.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.615 0.721 . . . . 0.24 109.377 176.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.5 mt-30 -80.72 -47.44 13.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 1.66 109.75 176.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.577 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.2 t60 -65.47 -54.14 32.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.35 111.585 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' 2132 ' ' LEU . 1.8 mm? -60.52 -27.69 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.6 0.222 . . . . 1.13 111.6 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.428 ' CG ' ' HG2' ' A' 2060 ' ' GLN . 17.4 t-80 -69.57 -42.03 75.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.196 -0.668 . . . . 0.31 109.196 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 78.6 m -64.76 -30.89 71.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.768 -0.651 . . . . 0.36 111.339 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.721 ' HB3' HD13 ' A' 2112 ' ' LEU . 26.2 mmm180 -74.69 -48.58 25.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.173 0.511 . . . . 1.64 110.975 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 2112 ' ' LEU . 96.9 mt -75.93 -10.77 59.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 113.562 0.949 . . . . 0.97 113.562 -176.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 71.3 p -110.51 -56.08 2.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.585 0.707 . . . . 0.68 111.073 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.13 129.2 36.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.801 -1.09 . . . . 1.96 110.16 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 15.2 m -83.34 116.09 22.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.92 -0.582 . . . . 3.1 110.669 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.866 -0.606 . . . . 6.9 111.337 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 112.025 -0.43 . . . . 6.15 112.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 37.0 t -165.46 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.043 0.449 . . . . 6.22 111.044 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 46.1 m80 -138.95 -177.84 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.009 -0.541 . . . . 3.33 110.371 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 37.1 ttp -28.85 -77.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.552 1.316 . . . . 2.18 114.552 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -105.73 -2.89 22.73 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.251 -0.886 . . . . 9.04 112.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.56 HD21 HD13 ' A' 2136 ' ' LEU . 1.2 mm? -92.83 39.53 1.04 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.665 -0.414 . . . . 2.25 112.049 -167.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.64 106.55 18.1 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.513 -0.551 . . . . 4.07 109.513 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.93 85.28 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 121.05 -0.595 . . . . 1.88 113.583 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.36 136.22 34.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 117.65 0.725 . . . . 1.6 111.339 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' 2059 ' ' GLN . 25.6 m -75.91 156.09 84.51 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 1.18 109.964 174.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' 2060 ' ' GLN . 20.6 Cg_exo -36.16 -49.35 1.2 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 124.569 3.513 . . . . 0.86 114.779 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.48 -44.89 89.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.664 0.268 . . . . 1.95 110.98 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -57.55 -42.34 82.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.464 . . . . 1.6 109.853 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' ' HB ' ' A' 2062 ' ' THR . 95.7 mt-30 -56.64 -41.5 77.26 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.32 -0.854 . . . . 1.5 110.738 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.0 mt-30 -57.38 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.691 -0.686 . . . . 0.95 110.69 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 51.0 mt-30 -53.72 -34.04 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.007 -0.542 . . . . 1.32 111.588 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' 2059 ' ' GLN . 54.3 m -49.53 -53.96 20.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.466 -0.788 . . . . 0.77 111.229 171.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' 2136 ' ' LEU . 14.6 mt -82.29 -23.29 35.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.441 0.639 . . . . 1.32 109.873 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -64.43 -30.36 71.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.6 -1.182 . . . . 0.51 108.55 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 94.0 m -87.04 -39.09 15.95 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 113.541 -1.663 . . . . 0.41 110.619 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' 2106 ' ' LEU . 0.0 OUTLIER -60.64 -56.04 26.06 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.488 0.661 . . . . 1.35 109.644 -179.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.412 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 54.9 t -57.27 -40.47 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 114.762 -1.108 . . . . 0.22 110.791 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -65.84 -48.82 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.92 -1.036 . . . . 0.17 111.108 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.484 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.27 -29.6 69.95 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.142 0.496 . . . . 0.23 110.913 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.68 79.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.517 -0.765 . . . . 0.24 110.314 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.815 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.3 t -87.4 -26.1 23.47 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.072 -0.651 . . . . 0.28 110.079 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' 2077 ' ' HIS . . . -49.57 -45.5 47.79 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.91 -0.774 . . . . 0.31 108.91 166.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 56.3 m -70.62 -50.14 40.19 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.962 -1.017 . . . . 0.46 110.892 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -60.1 -37.25 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 113.554 0.946 . . . . 0.56 113.554 -175.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.815 ' HG ' ' O ' ' A' 2071 ' ' THR . 5.1 mt -86.07 -9.22 57.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.191 0.52 . . . . 0.74 110.544 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 80.65 47.19 6.88 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.662 -0.699 . . . . 0.93 113.158 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' 2072 ' ' ALA . 7.4 p80 -138.44 -4.75 1.63 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.306 0.553 . . . . 0.97 112.025 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.504 ' C ' ' HB1' ' A' 2072 ' ' ALA . 85.2 m-70 68.82 -42.29 0.48 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.256 1.576 . . . . 1.56 115.256 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.509 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 8.5 p -76.05 123.9 88.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 113.68 0.992 . . . . 1.82 113.68 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' 2079 ' ' THR . 2.7 Cg_exo -84.73 -16.98 5.23 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 124.042 3.161 . . . . 0.51 111.247 174.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.93 -18.16 54.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.763 . . . . 1.54 109.981 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.7 t -93.08 21.59 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.012 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.535 HD12 HG23 ' A' 2071 ' ' THR . 12.1 mm -106.8 122.51 60.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.659 -0.701 . . . . 0.25 110.481 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.2 m -92.48 110.41 44.76 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.225 -0.443 . . . . 0.28 110.076 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.514 ' O ' ' HB ' ' A' 2124 ' ' THR . 21.9 Cg_endo -65.75 -27.35 52.23 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 122.536 2.158 . . . . 0.15 112.605 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.79 -30.04 58.95 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.722 -0.672 . . . . 0.14 111.499 -178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 30.6 m -74.65 147.07 41.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.17 -0.678 . . . . 0.16 109.17 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.545 ' HA ' HG22 ' A' 2124 ' ' THR . . . -81.85 143.76 31.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.169 -0.923 . . . . 0.15 109.534 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.544 ' HB3' HG13 ' A' 2094 ' ' ILE . 29.4 m-85 -48.09 -39.77 21.29 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 123.748 0.655 . . . . 0.12 111.927 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -46.3 -65.65 0.52 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.278 0.561 . . . . 1.69 111.067 173.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -64.57 -12.41 44.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 2.27 111.945 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.434 HD21 ' HB ' ' A' 2087 ' ' THR . 97.4 mt -87.15 -13.97 42.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.24 111.792 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.8 1.45 11.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.276 -0.964 . . . . 0.2 113.365 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2119 ' ' ILE . 5.9 mm -68.85 128.88 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.309 0.576 . . . . 0.32 112.435 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.11 179.58 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.566 -0.902 . . . . 1.86 108.566 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.3 m -62.96 -34.11 76.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.259 0.552 . . . . 1.32 110.408 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.729 ' O ' ' HB3' ' A' 2100 ' ' LEU . 11.7 tp -62.99 -55.25 27.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.574 -0.739 . . . . 1.61 111.115 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.529 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -72.76 -24.92 61.01 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 112.784 0.661 . . . . 0.19 112.784 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.96 -20.29 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.958 0.885 . . . . 0.24 109.603 170.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.729 ' HB3' ' O ' ' A' 2097 ' ' LEU . 0.3 OUTLIER -86.66 -52.0 5.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.333 -1.303 . . . . 1.15 108.188 176.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.515 ' N ' HD13 ' A' 2100 ' ' LEU . 24.2 mt-10 -58.86 -40.19 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.791 -1.095 . . . . 0.46 112.408 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.7 tp -65.03 -54.26 33.11 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-O 120.885 0.374 . . . . 1.13 110.246 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' 2115 ' ' PRO . 0.1 OUTLIER -47.88 -44.42 29.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.214 -0.903 . . . . 2.11 110.226 172.262 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -59.13 -48.21 82.46 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.504 -0.771 . . . . 0.4 110.913 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.8 m -63.29 -45.94 89.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.639 -0.255 . . . . 0.33 111.298 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.406 ' CD1' HD13 ' A' 2066 ' ' LEU . 2.4 mm? -59.0 -43.49 91.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.467 0.175 . . . . 1.47 110.827 176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 79.3 m -63.52 -37.48 87.45 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 121.202 0.525 . . . . 0.67 111.097 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -70.5 -27.53 64.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.418 0.628 . . . . 1.29 111.116 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -86.27 -50.58 6.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.292 -0.867 . . . . 0.4 111.831 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.411 ' CB ' ' HG ' ' A' 2112 ' ' LEU . 40.3 p -77.19 -30.73 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 0.33 110.381 -172.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.72 7.84 83.65 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.258 -0.883 . . . . 0.36 111.801 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.748 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -93.13 -159.6 0.69 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.244 0.545 . . . . 0.47 109.738 178.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.41 117.51 13.44 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.134 -0.939 . . . . 0.43 109.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.79 158.38 62.75 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.28 -1.327 . . . . 1.25 110.702 -173.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2103 ' ' ARG . 83.6 Cg_endo -79.92 148.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.992 2.461 . . . . 0.33 111.97 174.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.12 -5.29 13.3 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.382 2.055 . . . . 0.46 111.622 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.2 p -93.07 1.45 57.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.956 -0.565 . . . . 0.36 111.667 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 2115 ' ' PRO . 15.0 mt -38.93 -65.1 0.39 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.725 0.774 . . . . 0.79 112.214 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.66 HG21 HG21 ' A' 2094 ' ' ILE . 9.8 mm -61.12 -18.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.893 -1.503 . . . . 0.28 111.819 -173.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -90.41 -34.96 15.44 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.381 -0.372 . . . . 0.38 111.463 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.45 -37.15 20.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.324 0.583 . . . . 1.34 110.927 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -128.0 71.35 78.74 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.69 -0.856 . . . . 0.43 108.69 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.776 ' O ' HG23 ' A' 2124 ' ' THR . 9.9 Cg_endo -91.74 102.27 0.22 Allowed 'Trans proline' 0 N--CA 1.436 -1.876 0 C-N-CA 122.057 1.838 . . . . 0.25 111.985 -173.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.776 HG23 ' O ' ' A' 2123 ' ' PRO . 6.7 p 169.63 151.51 0.14 Allowed Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 128.187 2.595 . . . . 0.13 104.38 163.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.439 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 47.0 Cg_exo -55.19 -35.98 92.2 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 CA-C-N 121.425 1.545 . . . . 0.14 110.548 173.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' A' 2130 ' ' GLN . 68.1 t60 -66.32 -45.65 79.59 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.641 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.26 73.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.031 0.443 . . . . 0.13 111.096 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' 2119 ' ' ILE . 44.5 mt -75.22 -30.68 60.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.224 -0.444 . . . . 0.14 111.29 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 88.9 m -59.74 -27.53 66.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.066 -0.716 . . . . 0.24 109.066 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' 2126 ' ' HIS . 6.2 mt-30 -80.21 -52.94 7.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.312 -0.858 . . . . 1.66 110.172 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.548 ' O ' ' HG2' ' A' 2135 ' ' ARG . 81.7 t60 -64.21 -53.27 51.89 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.264 -0.426 . . . . 0.35 112.112 -174.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.0 mm? -61.9 -26.14 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.144 -0.222 . . . . 1.13 111.295 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.79 -42.45 73.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.203 -0.666 . . . . 0.31 109.203 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 44.7 m -62.14 -39.48 92.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.36 110.773 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.57 ' HB3' HD13 ' A' 2112 ' ' LEU . 13.0 mmm180 -65.85 -46.32 78.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.467 -0.333 . . . . 1.64 111.408 -176.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.748 HD23 HD21 ' A' 2112 ' ' LEU . 91.7 mt -74.22 -5.2 40.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.486 0.55 . . . . 0.97 112.486 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 28.5 p -110.55 -37.4 5.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.034 0.445 . . . . 0.68 111.169 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.56 123.35 23.8 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.926 -0.579 . . . . 1.96 110.288 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 2.2 p -67.72 104.84 1.74 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.541 . . . . 3.1 111.135 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 67.5 m80 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.272 -0.871 . . . . 6.9 110.565 179.666 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.929 -0.469 . . . . 6.15 111.929 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 33.9 t 58.97 62.41 1.88 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.586 0.354 . . . . 6.22 110.376 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.471 ' CD2' ' HA3' ' A' 2111 ' ' GLY . 80.6 m80 67.49 174.46 0.26 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.449 0.643 . . . . 3.33 110.95 -178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.649 ' C ' ' H ' ' A' 2051 ' ' LEU . 13.6 mtt -102.77 28.39 6.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.807 0.813 . . . . 2.18 109.836 174.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' 2052 ' ' ASN . 18.8 tpt180 -59.43 7.85 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 113.949 -1.478 . . . . 9.04 112.113 175.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.649 ' H ' ' C ' ' A' 2049 ' ' MET . 97.0 mt -21.79 48.05 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 129.345 3.058 . . . . 2.25 118.493 -164.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' 2050 ' ' ARG . 18.1 m120 -48.92 128.43 15.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.214 0.461 . . . . 4.07 110.155 171.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.67 -31.56 7.23 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.874 -0.603 . . . . 1.88 111.669 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' 2051 ' ' LEU . 3.2 mm? -88.71 138.7 31.18 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.613 -0.514 . . . . 1.6 109.613 173.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.1 m -68.91 148.45 97.93 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.922 -0.581 . . . . 1.18 109.57 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.696 ' O ' ' HG3' ' A' 2060 ' ' GLN . 42.7 Cg_exo -41.44 -47.06 5.82 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 123.209 2.606 . . . . 0.86 113.582 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 35.5 tt0 -62.11 -37.9 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.561 0.219 . . . . 1.95 111.26 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 12.8 mm-40 -61.98 -45.91 91.57 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.383 0.611 . . . . 1.6 109.473 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.534 ' O ' ' HB ' ' A' 2062 ' ' THR . 93.2 mt-30 -60.29 -37.97 82.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.864 -1.062 . . . . 1.5 110.786 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' 2056 ' ' PRO . 45.1 mt-30 -63.21 -57.96 8.77 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.421 -0.354 . . . . 0.95 110.216 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 45.8 mt-30 -53.92 -36.97 63.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 1.32 111.375 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' 2059 ' ' GLN . 98.3 m -49.54 -52.32 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.77 110.908 172.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' 2066 ' ' LEU . 11.6 mt -79.91 -24.69 40.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.481 -0.782 . . . . 1.32 109.576 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -67.92 -41.83 82.02 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.466 -1.243 . . . . 0.51 109.387 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 53.7 m -79.04 -35.12 43.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.507 -1.224 . . . . 0.41 110.688 174.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.635 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 16.5 tp -58.78 -62.13 2.1 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.4 0.619 . . . . 1.35 110.808 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.482 ' CG1' ' HZ ' ' A' 2089 ' ' PHE . 51.9 t -51.6 -43.32 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 114.393 -1.276 . . . . 0.22 110.993 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -64.14 -49.57 71.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.126 -0.943 . . . . 0.17 111.396 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.427 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.4 -32.7 71.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.094 0.473 . . . . 0.23 110.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.1 88.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.24 110.452 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.761 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.4 t -87.52 -20.42 26.53 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.135 -0.626 . . . . 0.28 110.194 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.503 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -55.05 -43.26 73.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.371 -0.603 . . . . 0.31 109.371 169.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.4 m -71.33 -49.26 44.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.09 -0.959 . . . . 0.46 110.425 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.801 HG22 HG22 ' A' 2098 ' ' THR . 1.1 t -60.0 -37.79 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.56 113.195 -174.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' 2071 ' ' THR . 13.0 mt -84.42 -41.6 16.5 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.808 -0.557 . . . . 0.74 111.127 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 122.13 61.14 0.21 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.357 -0.925 . . . . 0.93 113.428 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.513 ' NE2' ' HB2' ' A' 2075 ' ' LEU . 0.2 OUTLIER -152.75 -26.5 0.16 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.808 0.304 . . . . 0.97 111.79 175.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.406 ' C ' ' HB1' ' A' 2072 ' ' ALA . 48.1 m-70 68.89 -6.48 0.87 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.831 0.678 . . . . 1.56 112.831 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.508 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 9.3 p -91.8 120.81 67.87 Favored Pre-proline 0 N--CA 1.452 -0.37 0 N-CA-C 112.834 0.679 . . . . 1.82 112.834 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' 2079 ' ' THR . 3.2 Cg_exo -84.83 -16.59 5.3 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 124.338 3.359 . . . . 0.51 110.887 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.54 -17.94 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.54 110.248 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 13.0 t -98.1 22.13 9.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.63 110.458 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.519 HD12 HG23 ' A' 2071 ' ' THR . 13.1 mm -107.22 115.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.555 . . . . 0.25 110.501 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 21.6 m -84.85 110.81 30.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.485 -0.325 . . . . 0.28 110.402 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 24.8 Cg_endo -66.26 -27.08 48.54 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.704 2.269 . . . . 0.15 112.825 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.44 59.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.72 -0.673 . . . . 0.14 111.742 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.592 ' HB ' HD21 ' A' 2092 ' ' LEU . 36.0 m -78.65 148.08 33.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.378 -0.601 . . . . 0.16 109.378 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.524 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.01 141.08 36.26 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.144 -0.935 . . . . 0.15 109.603 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.552 ' HB3' HG13 ' A' 2094 ' ' ILE . 36.4 m-85 -45.53 -39.36 7.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.909 -1.041 . . . . 0.12 112.544 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -49.14 -64.79 0.7 Allowed 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.558 0.536 . . . . 1.69 110.603 175.276 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.6 -7.19 18.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.988 -1.006 . . . . 2.27 111.897 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.592 HD21 ' HB ' ' A' 2087 ' ' THR . 96.0 mt -89.86 -15.39 32.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.24 111.431 175.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.66 0.61 11.01 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.297 -0.954 . . . . 0.2 113.426 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.2 mm -67.54 130.7 33.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.545 0.572 . . . . 0.32 112.545 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -103.52 178.65 4.5 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.706 -0.85 . . . . 1.86 108.706 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 31.0 m -65.93 -30.34 70.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 118.232 0.469 . . . . 1.32 111.18 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' 2101 ' ' GLU . 56.6 mt -70.64 -53.36 16.13 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.323 0.583 . . . . 1.61 110.098 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.801 HG22 HG22 ' A' 2074 ' ' VAL . 0.8 OUTLIER -70.53 -25.9 63.32 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.6 -0.727 . . . . 0.19 112.809 -178.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.518 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -59.23 -24.31 63.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.962 0.887 . . . . 0.24 109.543 169.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.65 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.05 -38.37 13.63 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.697 -1.138 . . . . 1.15 109.162 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' 2104 ' ' ASN . 26.0 mt-10 -65.9 -34.86 79.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.264 -0.425 . . . . 0.46 111.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' 2071 ' ' THR . 8.8 mt -56.41 -65.33 0.63 Allowed 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 116.315 -0.402 . . . . 1.13 111.284 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.5 OUTLIER -52.58 -33.27 45.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.871 . . . . 2.11 110.974 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.1 m-20 -55.73 -51.56 66.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.4 110.447 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.4 m -69.71 -42.4 74.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.33 110.88 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' 2103 ' ' ARG . 6.3 mp -62.11 -55.02 33.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 1.47 111.75 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.6 t -65.73 -27.54 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.235 0.541 . . . . 0.67 110.132 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -69.13 -46.88 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 1.29 110.588 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.45 -39.58 74.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.018 -0.992 . . . . 0.4 112.417 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.514 ' HB ' ' CD1' ' A' 2112 ' ' LEU . 40.5 p -80.46 -25.51 38.85 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.415 0.626 . . . . 0.33 109.848 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . 0.471 ' HA3' ' CD2' ' A' 2048 ' ' HIS . . . 83.31 1.31 90.38 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.016 -0.993 . . . . 0.36 111.186 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.855 HD21 HD23 ' A' 2136 ' ' LEU . 10.5 mt -80.82 -170.2 2.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.595 -0.802 . . . . 0.47 110.478 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.53 123.01 27.1 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.607 -1.179 . . . . 0.43 108.753 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.51 HD13 HD11 ' A' 2118 ' ' LEU . 56.8 mt -138.17 148.89 61.65 Favored Pre-proline 0 C--N 1.312 -1.053 0 CA-C-N 115.14 -0.936 . . . . 1.25 111.856 -168.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' 2118 ' ' LEU . 69.2 Cg_endo -79.61 159.3 25.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.387 2.724 . . . . 0.33 111.897 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.8 Cg_endo -76.97 1.57 8.51 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.272 1.981 . . . . 0.46 111.236 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 15.5 p -98.69 2.15 46.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.703 -0.681 . . . . 0.36 111.572 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.51 HD11 HD13 ' A' 2114 ' ' LEU . 18.5 mt -41.15 -62.43 0.84 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.352 0.596 . . . . 0.79 112.333 174.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.544 HD13 HD11 ' A' 2128 ' ' LEU . 10.0 mm -55.28 -25.72 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.212 -1.358 . . . . 0.28 111.473 -175.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.96 -31.34 17.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.09 -0.504 . . . . 0.38 111.663 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 -34.68 21.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.077 0.465 . . . . 1.34 111.013 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.99 77.9 61.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.736 ' O ' HG23 ' A' 2124 ' ' THR . 29.7 Cg_endo -91.75 103.71 0.23 Allowed 'Trans proline' 0 N--CA 1.438 -1.77 0 C-N-CA 121.801 1.668 . . . . 0.25 112.902 -170.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.736 HG23 ' O ' ' A' 2123 ' ' PRO . 4.0 p 167.79 157.27 0.14 Allowed Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 127.783 2.433 . . . . 0.13 105.296 159.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.442 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 42.4 Cg_exo -55.36 -36.76 94.5 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 CA-C-N 121.45 1.554 . . . . 0.14 110.379 171.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.6 t60 -69.5 -45.44 68.91 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.42 111.788 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.4 69.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.01 0.434 . . . . 0.13 110.921 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.544 HD11 HD13 ' A' 2119 ' ' ILE . 39.0 mt -74.11 -33.67 63.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.368 -0.378 . . . . 0.14 111.453 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 60.7 m -56.81 -29.44 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.11 -0.7 . . . . 0.24 109.11 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' 2126 ' ' HIS . 4.5 mt-30 -80.16 -48.78 12.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.925 -1.034 . . . . 1.66 110.253 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.1 t60 -61.54 -53.31 57.97 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.346 -0.388 . . . . 0.35 111.535 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.434 HD12 HG21 ' A' 2110 ' ' THR . 2.6 mm? -57.14 -39.05 74.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.517 0.199 . . . . 1.13 111.073 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.68 -35.9 82.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.627 -0.509 . . . . 0.31 109.627 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' 2138 ' ' GLN . 27.8 m -70.15 -40.34 74.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.542 -0.754 . . . . 0.36 110.688 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.476 ' CB ' HD13 ' A' 2112 ' ' LEU . 15.4 mmm180 -63.45 -33.86 76.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.211 0.529 . . . . 1.64 110.609 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.855 HD23 HD21 ' A' 2112 ' ' LEU . 67.0 mt -81.01 -25.65 37.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.523 -0.762 . . . . 0.97 112.026 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.0 p -97.2 -20.14 18.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.68 111.86 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' 2134 ' ' THR . 18.3 mt-30 -83.85 159.49 21.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.413 -0.358 . . . . 1.96 111.811 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 12.4 m 55.11 77.4 0.22 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.269 -0.878 . . . . 3.1 111.979 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . 0.4 ' HA ' ' NH2' ' A' 2050 ' ' ARG . 39.6 m170 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.87 -0.586 . . . . 6.9 110.435 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 112.003 -0.439 . . . . 6.15 112.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 3.3 m -57.72 -42.0 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.583 0.706 . . . . 6.22 109.3 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 52.4 m80 -130.27 -178.0 4.56 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.905 -1.043 . . . . 3.33 108.819 171.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' 2136 ' ' LEU . 1.5 ptm -43.47 -81.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.618 1.34 . . . . 2.18 114.618 -163.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -109.15 -7.32 15.33 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.433 -0.803 . . . . 9.04 110.786 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.636 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 6.9 mt -66.31 -10.13 39.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.425 0.898 . . . . 2.25 113.425 -162.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -71.11 113.92 8.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.54 0.686 . . . . 4.07 110.777 -177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 109.12 -30.94 8.11 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.421 -0.809 . . . . 1.88 112.085 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.537 ' HB3' ' HB2' ' A' 2058 ' ' GLN . 2.6 mm? -83.99 140.71 31.71 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.887 0.375 . . . . 1.6 110.482 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.4 m -71.97 154.38 92.57 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.152 -0.684 . . . . 1.18 109.152 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' 2060 ' ' GLN . 14.2 Cg_exo -36.37 -51.9 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 124.567 3.511 . . . . 0.86 115.231 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' 2060 ' ' GLN . 30.4 tt0 -67.17 -38.83 86.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.051 0.453 . . . . 1.95 110.707 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.537 ' HB2' ' HB3' ' A' 2054 ' ' LEU . 9.1 mm100 -63.38 -40.55 97.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.207 -0.664 . . . . 1.6 109.207 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.636 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 94.2 mt-30 -57.03 -42.01 79.63 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.253 -0.885 . . . . 1.5 110.699 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.597 ' O ' ' HG ' ' A' 2063 ' ' LEU . 41.9 mt-30 -58.95 -58.26 9.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 116.207 -0.451 . . . . 0.95 109.953 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.579 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 76.9 mt-30 -56.57 -34.07 66.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 1.32 111.369 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2059 ' ' GLN . 53.4 m -53.67 -55.61 24.48 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.478 -0.783 . . . . 0.77 111.547 171.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -81.12 -18.9 44.85 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.925 0.869 . . . . 1.32 109.463 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -65.48 -47.5 75.87 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.105 -1.407 . . . . 0.51 108.289 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 97.3 m -58.73 -39.82 82.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 113.835 -1.529 . . . . 0.41 110.224 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -60.05 4.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.828 -0.804 . . . . 1.35 108.828 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' 2063 ' ' LEU . 63.6 t -52.63 -45.09 47.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -0.999 . . . . 0.22 111.342 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.73 69.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.436 -0.802 . . . . 0.17 111.494 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.44 ' HB2' ' HG3' ' A' 2080 ' ' PRO . . . -64.71 -27.0 68.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.23 110.569 179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.0 71.14 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.423 -0.808 . . . . 0.24 110.19 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.845 ' O ' ' HG ' ' A' 2075 ' ' LEU . 14.7 t -84.2 -25.76 29.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.718 -0.793 . . . . 0.28 109.721 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.461 ' HA ' ' CE1' ' A' 2077 ' ' HIS . . . -48.27 -48.0 35.91 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.021 -0.733 . . . . 0.31 109.021 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 93.0 m -72.41 -46.61 54.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.367 -0.833 . . . . 0.46 111.48 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.697 ' HB ' ' HA ' ' A' 2071 ' ' THR . 0.9 OUTLIER -59.81 -40.57 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 112.998 0.74 . . . . 0.56 112.998 -177.39 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.845 ' HG ' ' O ' ' A' 2071 ' ' THR . 12.0 mt -76.68 -36.18 57.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.253 0.549 . . . . 0.74 109.947 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 112.05 32.28 2.45 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.634 -0.793 . . . . 0.93 113.069 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' 2072 ' ' ALA . 29.7 p80 -122.04 -2.72 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.107 0.48 . . . . 0.97 111.505 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.407 ' C ' ' HB1' ' A' 2072 ' ' ALA . 64.8 m-70 70.41 -57.18 0.58 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.706 1.372 . . . . 1.56 114.706 168.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 2.7 t -87.82 145.04 35.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 119.363 -0.935 . . . . 1.82 111.817 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.44 ' HG3' ' HB2' ' A' 2069 ' ' ALA . 2.0 Cg_endo -83.38 -0.93 10.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.217 3.945 . . . . 0.51 111.839 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.19 -0.8 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 1.54 111.081 -176.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 9.5 t -118.87 15.23 13.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.429 -0.805 . . . . 0.63 110.078 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.609 HD12 HG23 ' A' 2071 ' ' THR . 24.8 mm -98.73 112.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.25 110.8 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -88.79 111.71 46.08 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.28 110.024 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 17.9 Cg_endo -64.27 -28.01 63.91 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.756 2.304 . . . . 0.15 112.67 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.63 -30.38 59.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.612 -0.722 . . . . 0.14 111.391 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.461 ' O ' HG22 ' A' 2124 ' ' THR . 39.6 m -76.5 147.87 37.53 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.402 0.62 . . . . 0.16 109.44 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.532 ' HA ' HG22 ' A' 2124 ' ' THR . . . -80.81 142.09 34.05 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.166 -0.924 . . . . 0.15 109.502 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.542 ' HB3' HG13 ' A' 2094 ' ' ILE . 32.0 m-85 -47.83 -36.64 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.272 -0.876 . . . . 0.12 111.909 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' 2090 ' ' LYS . 0.1 OUTLIER -48.93 -65.95 0.48 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.978 -0.555 . . . . 1.69 110.846 174.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.03 -29.59 65.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 2.27 111.273 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' 2089 ' ' PHE . 84.6 mt -71.73 -15.99 62.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.24 111.969 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 121.98 1.46 10.52 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.251 -0.976 . . . . 0.2 113.741 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.542 HG13 ' HB3' ' A' 2089 ' ' PHE . 5.7 mm -66.34 130.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.419 0.628 . . . . 0.32 112.544 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 28.5 t70 -108.17 169.67 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.847 -1.07 . . . . 1.86 108.422 173.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 51.0 m -56.62 -32.76 65.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.904 0.774 . . . . 1.32 111.392 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' 2101 ' ' GLU . 47.0 mt -69.08 -54.66 13.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.117 0.484 . . . . 1.61 109.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.574 HG22 HG22 ' A' 2074 ' ' VAL . 0.7 OUTLIER -69.33 -25.62 64.29 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.879 0.696 . . . . 0.19 112.879 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.507 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.95 -23.33 65.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.807 0.813 . . . . 0.24 109.363 170.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -89.89 -39.05 13.28 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.865 -1.061 . . . . 1.15 108.886 178.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' 2097 ' ' LEU . 29.0 mt-10 -69.08 -34.87 75.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.46 111.367 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' 2102 ' ' LEU . 13.4 tp -64.33 -56.29 15.44 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 116.206 -0.452 . . . . 1.13 111.032 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' 2100 ' ' LEU . 1.4 ppt_? -56.59 -28.02 59.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.67 -0.695 . . . . 2.11 110.332 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' 2101 ' ' GLU . 51.1 m-20 -64.35 -48.68 74.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.792 0.329 . . . . 0.4 110.336 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 14.8 m -61.62 -41.78 97.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.33 110.58 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 2102 ' ' LEU . 7.4 mp -60.55 -50.97 71.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.784 -0.644 . . . . 1.47 110.852 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.417 HG23 ' O ' ' A' 2112 ' ' LEU . 84.7 m -57.07 -41.39 78.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.255 0.55 . . . . 0.67 110.87 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 66.2 t60 -59.77 -49.84 76.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.398 -0.819 . . . . 1.29 110.918 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -71.89 -44.78 63.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.455 -0.793 . . . . 0.4 113.037 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.503 HG22 ' SD ' ' A' 2049 ' ' MET . 65.5 p -80.73 -26.73 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.163 0.506 . . . . 0.33 110.681 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 82.89 2.5 90.66 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.822 -0.704 . . . . 0.36 112.233 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.85 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -90.25 -159.46 0.61 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.733 0.778 . . . . 0.47 110.45 -178.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -131.15 123.83 29.38 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.029 -1.441 . . . . 0.43 109.084 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 54.0 mt -135.42 147.83 63.54 Favored Pre-proline 0 C--N 1.311 -1.081 0 CA-C-N 115.032 -0.986 . . . . 1.25 110.7 -171.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.419 ' HD2' HD13 ' A' 2118 ' ' LEU . 85.2 Cg_endo -80.87 157.74 20.98 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.501 2.801 . . . . 0.33 112.312 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.501 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 72.0 Cg_endo -77.74 0.54 9.72 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.352 2.035 . . . . 0.46 111.382 175.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 11.0 p -101.52 1.84 38.46 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.457 -0.792 . . . . 0.36 110.944 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.419 HD13 ' HD2' ' A' 2115 ' ' PRO . 14.5 tp -44.66 -57.39 3.7 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.669 0.788 . . . . 0.79 112.645 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' 2099 ' ' ALA . 20.6 mm -59.27 -23.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.248 -0.887 . . . . 0.28 111.478 -178.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -90.2 -30.01 17.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.02 0.438 . . . . 0.38 111.35 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -77.89 -34.73 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.794 -0.639 . . . . 1.34 110.496 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.449 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 78.5 m-70 -138.21 80.35 28.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.382 -0.826 . . . . 0.43 109.216 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' 2124 ' ' THR . 18.8 Cg_endo -91.63 102.03 0.22 Allowed 'Trans proline' 0 N--CA 1.433 -2.047 0 C-N-CA 121.844 1.696 . . . . 0.25 111.967 -174.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.722 HG23 ' O ' ' A' 2123 ' ' PRO . 2.6 p 167.24 152.79 0.1 Allowed Pre-proline 0 C--N 1.321 -0.666 0 C-N-CA 127.974 2.51 . . . . 0.13 104.713 161.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.459 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -55.6 -36.89 95.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 CA-C-N 121.391 1.532 . . . . 0.14 110.453 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 74.2 t60 -68.3 -43.78 76.91 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.42 111.84 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -56.3 -41.4 75.89 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.094 0.474 . . . . 0.13 110.741 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.452 HD11 HD13 ' A' 2119 ' ' ILE . 38.2 mt -73.14 -29.54 62.95 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.125 -0.489 . . . . 0.14 111.486 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 60.5 m -61.99 -27.54 68.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.538 0.685 . . . . 0.24 109.254 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 2126 ' ' HIS . 5.2 mt-30 -80.82 -47.83 13.3 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.354 -0.839 . . . . 1.66 110.198 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' 2135 ' ' ARG . 84.9 t60 -67.51 -50.85 56.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.339 -0.391 . . . . 0.35 111.804 -176.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.45 HD23 ' HB3' ' A' 2128 ' ' LEU . 2.8 mm? -62.75 -29.81 70.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.647 0.24 . . . . 1.13 111.647 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -67.67 -37.91 83.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.864 -0.791 . . . . 0.31 108.864 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 61.3 m -68.27 -36.09 78.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.267 -0.878 . . . . 0.36 111.125 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.642 ' HB3' HD13 ' A' 2112 ' ' LEU . 19.1 mmm180 -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 1.64 111.118 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.85 HD23 HD21 ' A' 2112 ' ' LEU . 97.4 mt -73.26 -14.76 61.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.481 0.919 . . . . 0.97 113.481 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 61.0 p -110.57 -56.09 2.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.68 111.373 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.54 141.36 29.93 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.506 -0.77 . . . . 1.96 110.195 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 7.8 m -132.51 157.69 44.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.302 -0.408 . . . . 3.1 110.581 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 44.3 m80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.427 -0.797 . . . . 6.9 110.01 178.694 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.795 -0.522 . . . . 6.15 111.795 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.46 ' O ' ' HA3' ' A' 2111 ' ' GLY . 32.1 t -71.97 -40.78 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.064 0.459 . . . . 6.22 109.826 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.444 ' HD2' HD23 ' A' 2112 ' ' LEU . 68.9 m80 -139.64 146.26 39.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 3.33 109.96 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.558 ' C ' ' H ' ' A' 2051 ' ' LEU . 24.7 ttp -90.88 28.88 1.45 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.048 0.928 . . . . 2.18 109.55 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' 2052 ' ' ASN . 0.0 OUTLIER -62.34 6.87 0.07 Allowed 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 114.091 -1.413 . . . . 9.04 112.785 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.558 ' H ' ' C ' ' A' 2049 ' ' MET . 14.6 mt -21.08 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 128.615 2.766 . . . . 2.25 118.003 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' 2050 ' ' ARG . 15.4 m120 -44.1 142.48 1.42 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.16 0.505 . . . . 4.07 111.055 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.73 -28.42 10.03 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.901 -0.879 . . . . 1.88 110.901 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.51 ' HG ' ' HB3' ' A' 2058 ' ' GLN . 1.1 mp -81.05 142.46 33.33 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 110.011 -0.366 . . . . 1.6 110.011 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 49.1 m -66.7 142.81 97.76 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.203 -1.036 . . . . 1.18 108.203 168.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.678 ' O ' ' HG3' ' A' 2060 ' ' GLN . 68.5 Cg_exo -38.21 -48.23 2.33 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 123.571 2.847 . . . . 0.86 113.568 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.93 -37.68 88.29 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.129 0.268 . . . . 1.95 111.462 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.51 ' HB3' ' HG ' ' A' 2054 ' ' LEU . 80.9 mm-40 -57.9 -51.34 70.01 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.474 0.654 . . . . 1.6 109.617 174.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.553 ' O ' ' HB ' ' A' 2062 ' ' THR . 5.4 mm-40 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.534 -1.212 . . . . 1.5 111.246 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.678 ' HG3' ' O ' ' A' 2056 ' ' PRO . 17.9 mt-30 -56.36 -60.03 4.1 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.355 177.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.624 ' HA ' ' HB3' ' A' 2064 ' ' ALA . 79.9 mt-30 -54.41 -35.04 62.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.795 0.331 . . . . 1.32 111.827 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' 2059 ' ' GLN . 95.8 m -53.9 -55.29 28.23 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.839 -0.618 . . . . 0.77 111.025 171.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' 2060 ' ' GLN . 4.0 pp -80.64 -20.06 43.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.699 0.762 . . . . 1.32 109.73 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' 2061 ' ' GLN . . . -68.42 -46.9 68.65 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.279 -1.328 . . . . 0.51 108.613 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 98.2 m -66.85 -36.74 83.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.982 -1.463 . . . . 0.41 110.305 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -57.64 11.97 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.099 -0.704 . . . . 1.35 109.099 177.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 2063 ' ' LEU . 55.2 t -54.03 -47.82 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.15 -0.932 . . . . 0.22 110.972 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.03 -51.79 68.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.164 -0.926 . . . . 0.17 111.855 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.513 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.77 -33.58 74.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.23 111.115 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.36 81.06 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.82 -0.627 . . . . 0.24 109.984 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.748 ' O ' ' HG ' ' A' 2075 ' ' LEU . 10.0 t -85.28 -23.44 28.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 120.068 -0.653 . . . . 0.28 110.573 -174.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.654 ' O ' ' HB3' ' A' 2077 ' ' HIS . . . -56.58 -39.95 74.4 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.677 -0.49 . . . . 0.31 109.677 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 87.2 m -70.08 -41.86 73.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.545 0.688 . . . . 0.46 110.234 173.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' 2071 ' ' THR . 1.0 OUTLIER -66.39 -38.04 80.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.261 -0.881 . . . . 0.56 113.201 -175.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2071 ' ' THR . 24.4 mt -80.01 -11.44 59.78 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.916 0.339 . . . . 0.74 111.916 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.88 74.35 0.8 Allowed Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.283 -1.927 . . . . 0.93 108.283 -168.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' 2072 ' ' ALA . 55.3 t-80 -159.28 -47.39 0.05 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.162 0.506 . . . . 0.97 111.129 -153.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 60.0 m-70 70.28 -49.59 0.65 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.018 1.118 . . . . 1.56 114.018 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 15.3 p -75.22 125.06 89.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 C-N-CA 120.165 -0.614 . . . . 1.82 112.568 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.513 ' HB3' ' N ' ' A' 2069 ' ' ALA . 2.9 Cg_exo -83.26 -22.99 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.73 2.953 . . . . 0.51 110.726 173.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.07 -20.64 60.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.928 -1.033 . . . . 1.54 110.729 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.7 t -102.65 21.98 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.785 0.803 . . . . 0.63 109.883 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.583 HD12 HG23 ' A' 2071 ' ' THR . 12.5 mm -95.35 106.43 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.235 -0.893 . . . . 0.25 109.763 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 68.2 m -75.28 113.03 21.55 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 120.692 0.282 . . . . 0.28 110.588 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.544 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 22.4 Cg_endo -67.86 -26.11 38.46 Favored 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.584 2.189 . . . . 0.15 112.631 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.16 59.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.599 -0.728 . . . . 0.14 111.472 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.48 ' O ' HG22 ' A' 2124 ' ' THR . 28.6 m -76.87 147.52 37.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.061 -0.718 . . . . 0.16 109.061 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' 2124 ' ' THR . . . -85.14 143.35 28.88 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.444 -0.798 . . . . 0.15 110.102 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.516 ' HB3' HG13 ' A' 2094 ' ' ILE . 38.4 m-85 -43.01 -41.15 3.32 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 124.065 0.853 . . . . 0.12 111.786 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.49 -64.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 1.69 111.433 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.589 -0.732 . . . . 2.27 112.153 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.31 -16.69 39.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.399 . . . . 0.24 111.853 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.63 9.71 7.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.206 -0.997 . . . . 0.2 114.065 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2119 ' ' ILE . 0.3 OUTLIER -69.29 126.54 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.448 0.642 . . . . 0.32 112.059 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -95.9 165.92 12.04 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.973 -1.121 . . . . 1.86 107.973 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 23.1 t -63.69 -30.5 71.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.897 0.772 . . . . 1.32 110.549 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' 2101 ' ' GLU . 53.3 mt -68.61 -51.12 45.79 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.567 0.699 . . . . 1.61 109.757 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.713 HG22 HG22 ' A' 2074 ' ' VAL . 0.6 OUTLIER -70.31 -25.87 63.51 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 0.19 112.411 178.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' 2119 ' ' ILE . . . -60.66 -23.1 64.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.886 0.85 . . . . 0.24 109.311 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.642 ' O ' ' HG3' ' A' 2103 ' ' ARG . 0.1 OUTLIER -90.13 -37.99 13.83 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.781 -1.099 . . . . 1.15 108.976 178.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' 2104 ' ' ASN . 28.3 mt-10 -67.03 -35.48 79.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.46 111.089 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' 2106 ' ' LEU . 5.1 tp -58.94 -59.47 5.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.14 0.495 . . . . 1.13 111.201 176.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -53.93 -34.68 60.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.101 -0.954 . . . . 2.11 110.345 177.198 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -56.03 -50.88 69.68 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.34 -0.391 . . . . 0.4 110.759 175.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.0 m -69.85 -41.84 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.396 -0.366 . . . . 0.33 111.198 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 2102 ' ' LEU . 78.1 mt -64.97 -49.06 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 1.47 111.278 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.78 -27.79 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.163 0.506 . . . . 0.67 110.241 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 72.4 t60 -71.17 -48.29 52.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 1.29 110.343 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.38 -43.56 77.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.069 -0.969 . . . . 0.4 112.332 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.567 ' HB ' HD21 ' A' 2136 ' ' LEU . 62.5 p -76.27 -23.69 54.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.516 0.674 . . . . 0.33 109.243 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' 2047 ' ' SER . . . 82.4 5.54 89.47 Favored Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 114.91 -1.041 . . . . 0.36 112.315 175.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.915 HD21 HD23 ' A' 2136 ' ' LEU . 0.2 OUTLIER -95.83 -159.63 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.468 0.651 . . . . 0.47 110.018 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -133.51 123.41 25.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.782 -1.099 . . . . 0.43 109.526 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.524 HD13 HD11 ' A' 2118 ' ' LEU . 66.0 mt -132.22 151.02 77.61 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 114.968 -1.015 . . . . 1.25 111.368 -169.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -78.85 156.0 27.0 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.957 2.438 . . . . 0.33 111.68 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.485 ' HA ' ' HG2' ' A' 2103 ' ' ARG . 71.6 Cg_endo -76.68 2.95 6.89 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.167 1.911 . . . . 0.46 111.582 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 14.4 p -99.49 -2.15 36.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.6 -0.727 . . . . 0.36 112.023 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.524 HD11 HD13 ' A' 2114 ' ' LEU . 20.3 mt -38.38 -62.81 0.55 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.61 0.719 . . . . 0.79 112.482 176.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.571 HG21 HG21 ' A' 2094 ' ' ILE . 6.8 mm -57.32 -25.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 113.847 -1.524 . . . . 0.28 111.769 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -86.13 -36.86 19.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.113 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.59 -32.3 41.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.862 -0.608 . . . . 1.34 111.404 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.402 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 71.8 m-70 -137.3 77.2 42.1 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.845 -0.798 . . . . 0.43 108.845 -177.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.714 ' O ' HG23 ' A' 2124 ' ' THR . 17.8 Cg_endo -92.08 102.29 0.2 Allowed 'Trans proline' 0 N--CA 1.435 -1.964 0 C-N-CA 121.778 1.652 . . . . 0.25 112.193 -173.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.714 HG23 ' O ' ' A' 2123 ' ' PRO . 1.7 p 168.11 152.66 0.12 Allowed Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 127.74 2.416 . . . . 0.13 105.344 163.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 53.2 Cg_exo -55.07 -36.3 92.5 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 CA-C-N 121.183 1.458 . . . . 0.14 110.185 171.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.57 ' O ' ' HG3' ' A' 2130 ' ' GLN . 75.0 t60 -68.62 -44.98 73.11 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.42 112.056 178.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -55.58 -39.75 71.1 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.344 0.52 . . . . 0.13 110.597 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.426 ' HB3' HD23 ' A' 2132 ' ' LEU . 38.4 mt -74.79 -28.93 60.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.14 111.561 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.507 ' HA ' ' CD1' ' A' 2063 ' ' LEU . 30.0 m -60.05 -30.58 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.919 0.866 . . . . 0.24 109.004 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' 2126 ' ' HIS . 3.5 mt-30 -80.51 -49.01 11.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.842 -1.072 . . . . 1.66 110.16 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 83.2 t60 -64.54 -51.54 62.33 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.263 -0.426 . . . . 0.35 111.545 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' 2132 ' ' LEU . 2.0 mm? -63.43 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.032 -0.267 . . . . 1.13 111.522 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -68.97 -36.8 78.3 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.209 -0.663 . . . . 0.31 109.209 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.6 m -66.37 -50.08 64.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.581 -0.736 . . . . 0.36 110.048 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.599 ' HB3' HD13 ' A' 2112 ' ' LEU . 21.2 mmm180 -54.77 -49.52 70.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 1.64 112.138 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.915 HD23 HD21 ' A' 2112 ' ' LEU . 94.9 mt -62.52 -36.04 81.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.32 0.489 . . . . 0.97 112.32 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 67.2 p -90.78 -28.24 18.38 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.322 -0.399 . . . . 0.68 111.735 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -81.67 108.15 15.0 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.404 -0.362 . . . . 1.96 110.771 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.466 ' HB3' ' NH1' ' A' 2050 ' ' ARG . 46.7 t 174.0 143.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.71 0.631 . . . . 3.1 109.663 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.487 -0.768 . . . . 6.9 109.981 179.465 . . . . . . . . 0 0 . 1 stop_ save_